data_18415 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18415 _Entry.PDB_ID 2LS8 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 18415 _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 VAL HA H 2 3.787 3.787 4.330 -0.543 18415 2 1 1 . 1 1 2 2 VAL C C 2 172.250 172.250 173.441 -1.191 18415 3 1 1 . 1 1 2 2 VAL CA C 2 61.294 61.294 61.823 -0.529 18415 4 1 1 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.844 1.864 18415 5 1 1 . 1 1 3 3 CYS N N 3 121.988 121.988 126.947 -4.959 18415 6 1 1 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.849 0.356 18415 7 1 1 . 1 1 3 3 CYS C C 3 171.993 171.993 172.957 -0.964 18415 8 1 1 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.812 -4.768 18415 9 1 1 . 1 1 3 3 CYS CB C 3 39.461 39.461 30.585 8.876 18415 10 1 1 . 1 1 3 3 CYS H H 3 8.628 8.628 8.678 -0.050 18415 11 1 1 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.550 0.273 18415 12 1 1 . 1 1 5 5 ILE C C 5 176.622 176.622 176.100 0.522 18415 13 1 1 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.968 -0.667 18415 14 1 1 . 1 1 5 5 ILE CB C 5 38.044 38.044 36.966 1.078 18415 15 1 1 . 1 1 6 6 ASP N N 6 117.894 117.894 121.044 -3.150 18415 16 1 1 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.953 -0.609 18415 17 1 1 . 1 1 6 6 ASP H H 6 8.606 8.606 8.246 0.360 18415 18 1 1 . 1 1 7 7 TRP N N 7 120.564 120.564 121.432 -0.868 18415 19 1 1 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.624 0.066 18415 20 1 1 . 1 1 7 7 TRP C C 7 176.415 176.415 176.095 0.320 18415 21 1 1 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.112 -0.074 18415 22 1 1 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.025 -0.254 18415 23 1 1 . 1 1 7 7 TRP H H 7 8.208 8.208 7.577 0.631 18415 24 1 1 . 1 1 8 8 ARG N N 8 119.872 119.872 124.884 -5.012 18415 25 1 1 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.242 0.444 18415 26 1 1 . 1 1 8 8 ARG C C 8 176.146 176.146 175.801 0.345 18415 27 1 1 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.524 -0.583 18415 28 1 1 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.341 2.222 18415 29 1 1 . 1 1 8 8 ARG H H 8 9.456 9.456 8.713 0.743 18415 30 1 1 . 1 1 9 9 ALA N N 9 127.265 127.265 129.457 -2.192 18415 31 1 1 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.763 0.628 18415 32 1 1 . 1 1 9 9 ALA C C 9 176.927 176.927 176.424 0.503 18415 33 1 1 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.786 0.224 18415 34 1 1 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.573 3.090 18415 35 1 1 . 1 1 9 9 ALA H H 9 8.819 8.819 8.505 0.314 18415 36 1 1 . 1 1 10 10 PHE N N 10 120.450 120.450 127.188 -6.738 18415 37 1 1 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.785 -0.591 18415 38 1 1 . 1 1 10 10 PHE C C 10 174.606 174.606 174.556 0.050 18415 39 1 1 . 1 1 10 10 PHE CA C 10 58.526 58.526 58.099 0.427 18415 40 1 1 . 1 1 10 10 PHE CB C 10 40.861 40.861 42.568 -1.707 18415 41 1 1 . 1 1 10 10 PHE H H 10 8.202 8.202 8.921 -0.719 18415 42 1 1 . 1 1 11 11 GLN N N 11 126.391 126.391 123.346 3.045 18415 43 1 1 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.534 -0.073 18415 44 1 1 . 1 1 11 11 GLN C C 11 175.859 175.859 175.762 0.097 18415 45 1 1 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.061 -0.809 18415 46 1 1 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.472 -1.510 18415 47 1 1 . 1 1 11 11 GLN H H 11 8.872 8.872 8.479 0.393 18415 48 1 1 . 1 1 12 12 SER N N 12 113.087 113.087 115.702 -2.615 18415 49 1 1 . 1 1 12 12 SER HA H 12 4.252 4.252 4.461 -0.209 18415 50 1 1 . 1 1 12 12 SER C C 12 173.339 173.339 173.245 0.094 18415 51 1 1 . 1 1 12 12 SER CA C 12 59.795 59.795 58.339 1.456 18415 52 1 1 . 1 1 12 12 SER CB C 12 62.943 62.943 64.777 -1.834 18415 53 1 1 . 1 1 12 12 SER H H 12 8.189 8.189 8.332 -0.143 18415 54 1 1 . 1 1 13 13 ASN N N 13 118.336 118.336 119.238 -0.902 18415 55 1 1 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.961 0.295 18415 56 1 1 . 1 1 13 13 ASN C C 13 174.330 174.330 173.821 0.509 18415 57 1 1 . 1 1 13 13 ASN CA C 13 52.342 52.342 51.903 0.439 18415 58 1 1 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.411 3.047 18415 59 1 1 . 1 1 13 13 ASN H H 13 8.242 8.242 7.903 0.339 18415 60 1 1 . 1 1 14 14 CYS N N 14 118.315 118.315 116.937 1.378 18415 61 1 1 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.470 0.391 18415 62 1 1 . 1 1 14 14 CYS C C 14 174.314 174.314 173.473 0.841 18415 63 1 1 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.103 -4.418 18415 64 1 1 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.008 14.011 18415 65 1 1 . 1 1 14 14 CYS H H 14 8.592 8.592 8.644 -0.052 18415 66 1 1 . 1 1 15 15 TYR N N 15 121.588 121.588 121.341 0.247 18415 67 1 1 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.476 0.301 18415 68 1 1 . 1 1 15 15 TYR C C 15 176.333 176.333 174.702 1.631 18415 69 1 1 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.903 1.714 18415 70 1 1 . 1 1 15 15 TYR CB C 15 44.583 44.583 40.872 3.711 18415 71 1 1 . 1 1 15 15 TYR H H 15 9.947 9.947 9.451 0.496 18415 72 1 1 . 1 1 16 16 PHE N N 16 121.989 121.989 124.263 -2.274 18415 73 1 1 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.813 0.098 18415 74 1 1 . 1 1 16 16 PHE C C 16 172.937 172.937 172.864 0.073 18415 75 1 1 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.042 -0.644 18415 76 1 1 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.416 -2.346 18415 77 1 1 . 1 1 16 16 PHE H H 16 8.717 8.717 9.394 -0.677 18415 78 1 1 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.769 0.347 18415 79 1 1 . 1 1 17 17 PRO C C 17 175.445 175.445 175.260 0.185 18415 80 1 1 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.917 -0.429 18415 81 1 1 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.149 -0.158 18415 82 1 1 . 1 1 18 18 LEU N N 18 126.062 126.062 125.410 0.652 18415 83 1 1 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.657 0.024 18415 84 1 1 . 1 1 18 18 LEU C C 18 177.391 177.391 177.482 -0.091 18415 85 1 1 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.286 1.074 18415 86 1 1 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.710 0.772 18415 87 1 1 . 1 1 18 18 LEU H H 18 9.054 9.054 9.251 -0.197 18415 88 1 1 . 1 1 19 19 THR N N 19 109.256 109.256 112.993 -3.737 18415 89 1 1 . 1 1 19 19 THR HA H 19 4.612 4.612 4.350 0.262 18415 90 1 1 . 1 1 19 19 THR C C 19 175.613 175.613 173.947 1.666 18415 91 1 1 . 1 1 19 19 THR CA C 19 62.236 62.236 60.867 1.369 18415 92 1 1 . 1 1 19 19 THR CB C 19 69.530 69.530 68.641 0.889 18415 93 1 1 . 1 1 19 19 THR H H 19 8.303 8.303 8.652 -0.349 18415 94 1 1 . 1 1 20 20 ASP N N 20 121.645 121.645 121.322 0.323 18415 95 1 1 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.634 -0.177 18415 96 1 1 . 1 1 20 20 ASP C C 20 174.684 174.684 174.909 -0.225 18415 97 1 1 . 1 1 20 20 ASP CA C 20 53.118 53.118 52.594 0.524 18415 98 1 1 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.202 -2.133 18415 99 1 1 . 1 1 20 20 ASP H H 20 8.834 8.834 7.913 0.921 18415 100 1 1 . 1 1 21 21 ASN N N 21 118.648 118.648 115.361 3.287 18415 101 1 1 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.741 -0.095 18415 102 1 1 . 1 1 21 21 ASN C C 21 176.542 176.542 174.598 1.944 18415 103 1 1 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.605 0.847 18415 104 1 1 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.130 0.323 18415 105 1 1 . 1 1 21 21 ASN H H 21 8.113 8.113 8.505 -0.392 18415 106 1 1 . 1 1 22 22 LYS N N 22 122.470 122.470 124.268 -1.798 18415 107 1 1 . 1 1 22 22 LYS HA H 22 4.856 4.856 5.152 -0.296 18415 108 1 1 . 1 1 22 22 LYS C C 22 176.711 176.711 176.029 0.682 18415 109 1 1 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.572 1.093 18415 110 1 1 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.553 1.986 18415 111 1 1 . 1 1 22 22 LYS H H 22 8.794 8.794 8.268 0.526 18415 112 1 1 . 1 1 23 23 THR N N 23 109.009 109.009 113.695 -4.686 18415 113 1 1 . 1 1 23 23 THR HA H 23 5.647 5.647 5.030 0.617 18415 114 1 1 . 1 1 23 23 THR C C 23 178.411 178.411 176.008 2.403 18415 115 1 1 . 1 1 23 23 THR CA C 23 61.773 61.773 61.113 0.660 18415 116 1 1 . 1 1 23 23 THR CB C 23 71.820 71.820 69.771 2.049 18415 117 1 1 . 1 1 23 23 THR H H 23 8.250 8.250 8.394 -0.144 18415 118 1 1 . 1 1 24 24 TRP N N 24 126.345 126.345 124.071 2.274 18415 119 1 1 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.741 -0.711 18415 120 1 1 . 1 1 24 24 TRP C C 24 178.204 178.204 177.531 0.673 18415 121 1 1 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.249 3.332 18415 122 1 1 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.306 1.348 18415 123 1 1 . 1 1 24 24 TRP H H 24 8.279 8.279 8.434 -0.155 18415 124 1 1 . 1 1 25 25 ALA N N 25 119.965 119.965 120.956 -0.991 18415 125 1 1 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.945 0.003 18415 126 1 1 . 1 1 25 25 ALA C C 25 182.089 182.089 179.602 2.487 18415 127 1 1 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.124 0.766 18415 128 1 1 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.164 0.091 18415 129 1 1 . 1 1 25 25 ALA H H 25 9.634 9.634 7.943 1.691 18415 130 1 1 . 1 1 26 26 GLU N N 26 116.492 116.492 117.965 -1.473 18415 131 1 1 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.047 0.016 18415 132 1 1 . 1 1 26 26 GLU C C 26 179.756 179.756 179.070 0.686 18415 133 1 1 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.053 -0.758 18415 134 1 1 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.729 0.754 18415 135 1 1 . 1 1 26 26 GLU H H 26 7.392 7.392 7.805 -0.413 18415 136 1 1 . 1 1 27 27 SER N N 27 121.197 121.197 115.714 5.483 18415 137 1 1 . 1 1 27 27 SER HA H 27 3.855 3.855 4.103 -0.248 18415 138 1 1 . 1 1 27 27 SER C C 27 174.299 174.299 176.297 -1.998 18415 139 1 1 . 1 1 27 27 SER CA C 27 63.344 63.344 62.268 1.076 18415 140 1 1 . 1 1 27 27 SER CB C 27 62.329 62.329 62.528 -0.199 18415 141 1 1 . 1 1 27 27 SER H H 27 8.596 8.596 8.434 0.162 18415 142 1 1 . 1 1 28 28 GLU N N 28 124.173 124.173 122.575 1.598 18415 143 1 1 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.787 0.481 18415 144 1 1 . 1 1 28 28 GLU C C 28 178.856 178.856 178.011 0.845 18415 145 1 1 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.942 -0.743 18415 146 1 1 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.170 -2.270 18415 147 1 1 . 1 1 28 28 GLU H H 28 8.133 8.133 7.939 0.194 18415 148 1 1 . 1 1 29 29 ARG N N 29 120.498 120.498 119.056 1.442 18415 149 1 1 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.048 -0.005 18415 150 1 1 . 1 1 29 29 ARG C C 29 179.339 179.339 178.362 0.977 18415 151 1 1 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.109 0.582 18415 152 1 1 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.145 0.090 18415 153 1 1 . 1 1 29 29 ARG H H 29 7.962 7.962 7.560 0.402 18415 154 1 1 . 1 1 30 30 ASN N N 30 119.000 119.000 116.554 2.446 18415 155 1 1 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.634 -0.187 18415 156 1 1 . 1 1 30 30 ASN C C 30 178.153 178.153 175.834 2.319 18415 157 1 1 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.921 2.729 18415 158 1 1 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.609 0.827 18415 159 1 1 . 1 1 30 30 ASN H H 30 7.960 7.960 8.188 -0.228 18415 160 1 1 . 1 1 31 31 CYS N N 31 116.301 116.301 116.436 -0.135 18415 161 1 1 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.616 -0.135 18415 162 1 1 . 1 1 31 31 CYS C C 31 178.072 178.072 175.999 2.073 18415 163 1 1 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.446 -4.035 18415 164 1 1 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.866 5.843 18415 165 1 1 . 1 1 31 31 CYS H H 31 8.477 8.477 7.960 0.517 18415 166 1 1 . 1 1 32 32 SER N N 32 119.834 119.834 114.671 5.163 18415 167 1 1 . 1 1 32 32 SER HA H 32 4.700 4.700 4.249 0.451 18415 168 1 1 . 1 1 32 32 SER C C 32 179.062 179.062 176.755 2.307 18415 169 1 1 . 1 1 32 32 SER CA C 32 61.663 61.663 60.852 0.811 18415 170 1 1 . 1 1 32 32 SER CB C 32 62.655 62.655 61.836 0.819 18415 171 1 1 . 1 1 32 32 SER H H 32 9.206 9.206 9.077 0.129 18415 172 1 1 . 1 1 33 33 GLY N N 33 111.632 111.632 110.107 1.525 18415 173 1 1 . 1 1 33 33 GLY C C 33 174.861 174.861 175.031 -0.170 18415 174 1 1 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.284 -0.617 18415 175 1 1 . 1 1 33 33 GLY H H 33 8.053 8.053 8.338 -0.285 18415 176 1 1 . 1 1 34 34 MET N N 34 116.998 116.998 119.330 -2.332 18415 177 1 1 . 1 1 34 34 MET HA H 34 4.596 4.596 4.554 0.042 18415 178 1 1 . 1 1 34 34 MET C C 34 175.356 175.356 176.000 -0.644 18415 179 1 1 . 1 1 34 34 MET CA C 34 54.887 54.887 54.733 0.154 18415 180 1 1 . 1 1 34 34 MET CB C 34 33.959 33.959 32.547 1.412 18415 181 1 1 . 1 1 34 34 MET H H 34 7.441 7.441 7.811 -0.370 18415 182 1 1 . 1 1 35 35 GLY N N 35 106.474 106.474 107.395 -0.921 18415 183 1 1 . 1 1 35 35 GLY C C 35 173.112 173.112 173.201 -0.089 18415 184 1 1 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.399 0.002 18415 185 1 1 . 1 1 35 35 GLY H H 35 7.807 7.807 7.868 -0.061 18415 186 1 1 . 1 1 36 36 ALA N N 36 121.833 121.833 121.831 0.002 18415 187 1 1 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.405 0.297 18415 188 1 1 . 1 1 36 36 ALA C C 36 174.285 174.285 175.356 -1.071 18415 189 1 1 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.614 -0.892 18415 190 1 1 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.566 3.096 18415 191 1 1 . 1 1 36 36 ALA H H 36 7.693 7.693 7.413 0.280 18415 192 1 1 . 1 1 37 37 HIS N N 37 111.683 111.683 113.638 -1.955 18415 193 1 1 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.097 0.034 18415 194 1 1 . 1 1 37 37 HIS C C 37 175.351 175.351 175.254 0.097 18415 195 1 1 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.733 -0.160 18415 196 1 1 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.108 0.863 18415 197 1 1 . 1 1 37 37 HIS H H 37 8.078 8.078 8.950 -0.872 18415 198 1 1 . 1 1 38 38 LEU N N 38 123.260 123.260 120.377 2.883 18415 199 1 1 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.686 0.087 18415 200 1 1 . 1 1 38 38 LEU C C 38 179.180 179.180 177.125 2.055 18415 201 1 1 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.095 1.271 18415 202 1 1 . 1 1 38 38 LEU CB C 38 43.656 43.656 43.257 0.399 18415 203 1 1 . 1 1 38 38 LEU H H 38 9.964 9.964 8.938 1.026 18415 204 1 1 . 1 1 39 39 MET N N 39 119.511 119.511 120.742 -1.231 18415 205 1 1 . 1 1 39 39 MET HA H 39 3.855 3.855 4.542 -0.687 18415 206 1 1 . 1 1 39 39 MET C C 39 174.874 174.874 175.320 -0.446 18415 207 1 1 . 1 1 39 39 MET CA C 39 58.789 58.789 55.280 3.509 18415 208 1 1 . 1 1 39 39 MET CB C 39 34.405 34.405 31.708 2.697 18415 209 1 1 . 1 1 39 39 MET H H 39 8.409 8.409 8.506 -0.097 18415 210 1 1 . 1 1 40 40 THR N N 40 123.771 123.771 119.396 4.375 18415 211 1 1 . 1 1 40 40 THR HA H 40 4.013 4.013 4.639 -0.626 18415 212 1 1 . 1 1 40 40 THR C C 40 172.936 172.936 173.663 -0.727 18415 213 1 1 . 1 1 40 40 THR CA C 40 59.869 59.869 60.324 -0.455 18415 214 1 1 . 1 1 40 40 THR CB C 40 70.587 70.587 68.636 1.951 18415 215 1 1 . 1 1 40 40 THR H H 40 6.822 6.822 8.412 -1.590 18415 216 1 1 . 1 1 41 41 ILE HA H 41 4.249 4.249 3.824 0.425 18415 217 1 1 . 1 1 41 41 ILE C C 41 174.349 174.349 175.184 -0.835 18415 218 1 1 . 1 1 41 41 ILE CA C 41 59.757 59.757 61.552 -1.795 18415 219 1 1 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.230 2.341 18415 220 1 1 . 1 1 42 42 SER N N 42 122.113 122.113 121.135 0.978 18415 221 1 1 . 1 1 42 42 SER HA H 42 4.647 4.647 4.259 0.388 18415 222 1 1 . 1 1 42 42 SER C C 42 174.502 174.502 174.705 -0.203 18415 223 1 1 . 1 1 42 42 SER CA C 42 59.768 59.768 59.497 0.271 18415 224 1 1 . 1 1 42 42 SER CB C 42 64.720 64.720 64.212 0.508 18415 225 1 1 . 1 1 42 42 SER H H 42 9.230 9.230 8.024 1.206 18415 226 1 1 . 1 1 43 43 THR N N 43 108.516 108.516 112.790 -4.274 18415 227 1 1 . 1 1 43 43 THR HA H 43 4.807 4.807 4.746 0.061 18415 228 1 1 . 1 1 43 43 THR C C 43 173.812 173.812 174.908 -1.096 18415 229 1 1 . 1 1 43 43 THR CA C 43 59.249 59.249 59.954 -0.705 18415 230 1 1 . 1 1 43 43 THR CB C 43 73.128 73.128 72.366 0.762 18415 231 1 1 . 1 1 43 43 THR H H 43 7.559 7.559 7.711 -0.152 18415 232 1 1 . 1 1 44 44 GLU N N 44 123.057 123.057 121.845 1.212 18415 233 1 1 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.036 -0.587 18415 234 1 1 . 1 1 44 44 GLU C C 44 178.262 178.262 177.594 0.668 18415 235 1 1 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.227 0.102 18415 236 1 1 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.913 0.529 18415 237 1 1 . 1 1 44 44 GLU H H 44 9.377 9.377 9.073 0.304 18415 238 1 1 . 1 1 45 45 ALA N N 45 119.910 119.910 122.300 -2.390 18415 239 1 1 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.383 -0.333 18415 240 1 1 . 1 1 45 45 ALA C C 45 180.096 180.096 179.838 0.258 18415 241 1 1 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.770 0.410 18415 242 1 1 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.501 -0.234 18415 243 1 1 . 1 1 45 45 ALA H H 45 8.328 8.328 8.256 0.072 18415 244 1 1 . 1 1 46 46 GLU N N 46 118.861 118.861 119.154 -0.293 18415 245 1 1 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.555 0.057 18415 246 1 1 . 1 1 46 46 GLU C C 46 177.452 177.452 178.718 -1.266 18415 247 1 1 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.940 -0.656 18415 248 1 1 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.187 1.326 18415 249 1 1 . 1 1 46 46 GLU H H 46 7.852 7.852 8.298 -0.446 18415 250 1 1 . 1 1 47 47 GLN N N 47 119.473 119.473 118.379 1.094 18415 251 1 1 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.868 -0.181 18415 252 1 1 . 1 1 47 47 GLN C C 47 176.429 176.429 177.843 -1.414 18415 253 1 1 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.929 0.979 18415 254 1 1 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.633 1.343 18415 255 1 1 . 1 1 47 47 GLN H H 47 7.054 7.054 7.763 -0.709 18415 256 1 1 . 1 1 48 48 ASN N N 48 115.182 115.182 117.866 -2.684 18415 257 1 1 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.266 -0.053 18415 258 1 1 . 1 1 48 48 ASN C C 48 176.986 176.986 176.862 0.124 18415 259 1 1 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.381 -0.352 18415 260 1 1 . 1 1 48 48 ASN CB C 48 37.558 37.558 37.971 -0.414 18415 261 1 1 . 1 1 48 48 ASN H H 48 8.416 8.416 7.840 0.576 18415 262 1 1 . 1 1 49 49 PHE N N 49 118.413 118.413 116.990 1.423 18415 263 1 1 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.203 -0.224 18415 264 1 1 . 1 1 49 49 PHE C C 49 177.254 177.254 177.154 0.100 18415 265 1 1 . 1 1 49 49 PHE CA C 49 60.162 60.162 61.306 -1.143 18415 266 1 1 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.167 -1.084 18415 267 1 1 . 1 1 49 49 PHE H H 49 7.473 7.473 8.010 -0.537 18415 268 1 1 . 1 1 50 50 ILE N N 50 117.601 117.601 122.297 -4.696 18415 269 1 1 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.953 -0.412 18415 270 1 1 . 1 1 50 50 ILE C C 50 176.891 176.891 177.112 -0.221 18415 271 1 1 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.836 -3.184 18415 272 1 1 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.047 1.162 18415 273 1 1 . 1 1 50 50 ILE H H 50 7.020 7.020 7.520 -0.500 18415 274 1 1 . 1 1 51 51 ILE N N 51 114.824 114.824 115.601 -0.777 18415 275 1 1 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.080 -0.187 18415 276 1 1 . 1 1 51 51 ILE C C 51 177.092 177.092 176.228 0.864 18415 277 1 1 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.739 1.465 18415 278 1 1 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.050 0.870 18415 279 1 1 . 1 1 51 51 ILE H H 51 7.216 7.216 7.375 -0.159 18415 280 1 1 . 1 1 52 52 GLN N N 52 116.767 116.767 117.485 -0.718 18415 281 1 1 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.933 -0.163 18415 282 1 1 . 1 1 52 52 GLN C C 52 176.442 176.442 176.521 -0.079 18415 283 1 1 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.159 0.111 18415 284 1 1 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.959 0.061 18415 285 1 1 . 1 1 52 52 GLN H H 52 6.416 6.416 7.067 -0.651 18415 286 1 1 . 1 1 53 53 PHE N N 53 115.400 115.400 116.430 -1.030 18415 287 1 1 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.432 0.145 18415 288 1 1 . 1 1 53 53 PHE C C 53 174.993 174.993 175.678 -0.685 18415 289 1 1 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.546 -1.651 18415 290 1 1 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.240 -0.707 18415 291 1 1 . 1 1 53 53 PHE H H 53 7.216 7.216 7.342 -0.126 18415 292 1 1 . 1 1 54 54 LEU N N 54 118.096 118.096 119.276 -1.180 18415 293 1 1 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.968 0.123 18415 294 1 1 . 1 1 54 54 LEU C C 54 175.467 175.467 176.306 -0.839 18415 295 1 1 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.857 -0.286 18415 296 1 1 . 1 1 54 54 LEU CB C 54 41.707 41.707 42.007 -0.300 18415 297 1 1 . 1 1 54 54 LEU H H 54 6.668 6.668 7.177 -0.509 18415 298 1 1 . 1 1 55 55 ASP N N 55 123.723 123.723 122.516 1.207 18415 299 1 1 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.720 0.095 18415 300 1 1 . 1 1 55 55 ASP C C 55 177.896 177.896 176.971 0.925 18415 301 1 1 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.149 -1.051 18415 302 1 1 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.617 0.045 18415 303 1 1 . 1 1 55 55 ASP H H 55 8.687 8.687 8.590 0.097 18415 304 1 1 . 1 1 56 56 ARG N N 56 124.370 124.370 126.080 -1.710 18415 305 1 1 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.951 0.359 18415 306 1 1 . 1 1 56 56 ARG C C 56 178.201 178.201 175.718 2.483 18415 307 1 1 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.633 2.325 18415 308 1 1 . 1 1 56 56 ARG CB C 56 30.578 30.578 27.770 2.808 18415 309 1 1 . 1 1 56 56 ARG H H 56 8.758 8.758 8.817 -0.059 18415 310 1 1 . 1 1 57 57 ARG N N 57 120.411 120.411 116.531 3.880 18415 311 1 1 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.386 -0.092 18415 312 1 1 . 1 1 57 57 ARG C C 57 177.064 177.064 174.861 2.203 18415 313 1 1 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.419 1.113 18415 314 1 1 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.498 -1.806 18415 315 1 1 . 1 1 57 57 ARG H H 57 9.150 9.150 8.345 0.805 18415 316 1 1 . 1 1 58 58 LEU N N 58 119.445 119.445 122.556 -3.111 18415 317 1 1 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.490 0.214 18415 318 1 1 . 1 1 58 58 LEU C C 58 176.450 176.450 176.069 0.381 18415 319 1 1 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.800 0.479 18415 320 1 1 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.739 0.519 18415 321 1 1 . 1 1 58 58 LEU H H 58 8.328 8.328 7.693 0.635 18415 322 1 1 . 1 1 59 59 SER N N 59 116.536 116.536 115.816 0.720 18415 323 1 1 . 1 1 59 59 SER HA H 59 5.505 5.505 5.043 0.462 18415 324 1 1 . 1 1 59 59 SER C C 59 173.263 173.263 173.194 0.069 18415 325 1 1 . 1 1 59 59 SER CA C 59 57.199 57.199 57.165 0.034 18415 326 1 1 . 1 1 59 59 SER CB C 59 65.064 65.064 64.207 0.858 18415 327 1 1 . 1 1 59 59 SER H H 59 8.470 8.470 8.443 0.027 18415 328 1 1 . 1 1 60 60 TYR N N 60 120.274 120.274 123.774 -3.500 18415 329 1 1 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.806 -0.529 18415 330 1 1 . 1 1 60 60 TYR C C 60 175.560 175.560 175.795 -0.235 18415 331 1 1 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.725 -0.253 18415 332 1 1 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.508 1.999 18415 333 1 1 . 1 1 60 60 TYR H H 60 8.897 8.897 9.073 -0.176 18415 334 1 1 . 1 1 61 61 PHE N N 61 123.635 123.635 122.344 1.291 18415 335 1 1 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.579 0.709 18415 336 1 1 . 1 1 61 61 PHE C C 61 175.433 175.433 175.775 -0.342 18415 337 1 1 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.993 0.082 18415 338 1 1 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.023 1.846 18415 339 1 1 . 1 1 61 61 PHE H H 61 9.521 9.521 9.009 0.512 18415 340 1 1 . 1 1 62 62 LEU N N 62 114.382 114.382 121.471 -7.089 18415 341 1 1 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.097 -0.024 18415 342 1 1 . 1 1 62 62 LEU C C 62 179.521 179.521 178.165 1.356 18415 343 1 1 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.663 -1.880 18415 344 1 1 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.227 2.049 18415 345 1 1 . 1 1 62 62 LEU H H 62 8.394 8.394 8.992 -0.598 18415 346 1 1 . 1 1 63 63 GLY N N 63 106.675 106.675 108.526 -1.851 18415 347 1 1 . 1 1 63 63 GLY C C 63 172.404 172.404 173.866 -1.462 18415 348 1 1 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.894 2.499 18415 349 1 1 . 1 1 63 63 GLY H H 63 9.253 9.253 9.526 -0.273 18415 350 1 1 . 1 1 64 64 LEU N N 64 124.754 124.754 121.851 2.903 18415 351 1 1 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.241 0.343 18415 352 1 1 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.979 0.323 18415 353 1 1 . 1 1 64 64 LEU CB C 64 43.272 43.272 41.909 1.363 18415 354 1 1 . 1 1 64 64 LEU H H 64 6.840 6.840 7.813 -0.973 18415 355 1 1 . 1 1 65 65 ARG N N 65 124.476 124.476 126.579 -2.103 18415 356 1 1 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.077 1.083 18415 357 1 1 . 1 1 65 65 ARG C C 65 174.245 174.245 173.851 0.394 18415 358 1 1 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.372 0.532 18415 359 1 1 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.965 1.566 18415 360 1 1 . 1 1 65 65 ARG H H 65 8.218 8.218 9.042 -0.824 18415 361 1 1 . 1 1 66 66 ASP N N 66 126.754 126.754 125.760 0.994 18415 362 1 1 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.709 -0.280 18415 363 1 1 . 1 1 66 66 ASP C C 66 176.516 176.516 175.332 1.184 18415 364 1 1 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.057 -0.203 18415 365 1 1 . 1 1 66 66 ASP CB C 66 39.768 39.768 44.311 -4.543 18415 366 1 1 . 1 1 66 66 ASP H H 66 8.756 8.756 8.011 0.745 18415 367 1 1 . 1 1 67 67 GLU N N 67 123.390 123.390 121.460 1.930 18415 368 1 1 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.325 -0.549 18415 369 1 1 . 1 1 67 67 GLU C C 67 175.648 175.648 175.261 0.387 18415 370 1 1 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.814 3.034 18415 371 1 1 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.229 0.087 18415 372 1 1 . 1 1 67 67 GLU H H 67 8.488 8.488 8.451 0.037 18415 373 1 1 . 1 1 68 68 ASN N N 68 114.882 114.882 117.563 -2.681 18415 374 1 1 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.691 -0.027 18415 375 1 1 . 1 1 68 68 ASN C C 68 174.482 174.482 173.964 0.518 18415 376 1 1 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.769 -0.855 18415 377 1 1 . 1 1 68 68 ASN CB C 68 39.412 39.412 39.979 -0.567 18415 378 1 1 . 1 1 68 68 ASN H H 68 8.336 8.336 8.329 0.007 18415 379 1 1 . 1 1 69 69 ALA N N 69 118.915 118.915 120.054 -1.139 18415 380 1 1 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.836 0.038 18415 381 1 1 . 1 1 69 69 ALA C C 69 177.082 177.082 176.744 0.338 18415 382 1 1 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.346 0.286 18415 383 1 1 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.765 0.406 18415 384 1 1 . 1 1 69 69 ALA H H 69 7.444 7.444 8.493 -1.049 18415 385 1 1 . 1 1 70 70 LYS N N 70 117.439 117.439 118.938 -1.499 18415 386 1 1 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.152 0.166 18415 387 1 1 . 1 1 70 70 LYS C C 70 177.726 177.726 177.859 -0.133 18415 388 1 1 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.416 -0.994 18415 389 1 1 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.863 -0.127 18415 390 1 1 . 1 1 70 70 LYS H H 70 7.925 7.925 8.362 -0.437 18415 391 1 1 . 1 1 71 71 GLY C C 71 175.127 175.127 174.743 0.384 18415 392 1 1 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.031 0.643 18415 393 1 1 . 1 1 72 72 GLN N N 72 124.084 124.084 119.524 4.560 18415 394 1 1 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.445 -0.054 18415 395 1 1 . 1 1 72 72 GLN C C 72 174.283 174.283 174.926 -0.643 18415 396 1 1 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.177 -0.020 18415 397 1 1 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.302 0.331 18415 398 1 1 . 1 1 72 72 GLN H H 72 7.749 7.749 8.628 -0.879 18415 399 1 1 . 1 1 73 73 TRP N N 73 121.803 121.803 123.797 -1.994 18415 400 1 1 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.286 -0.381 18415 401 1 1 . 1 1 73 73 TRP C C 73 175.776 175.776 175.675 0.101 18415 402 1 1 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.274 -1.453 18415 403 1 1 . 1 1 73 73 TRP CB C 73 28.876 28.876 27.994 0.882 18415 404 1 1 . 1 1 73 73 TRP H H 73 6.599 6.599 7.499 -0.900 18415 405 1 1 . 1 1 74 74 ARG N N 74 119.549 119.549 120.189 -0.640 18415 406 1 1 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.758 -0.052 18415 407 1 1 . 1 1 74 74 ARG C C 74 176.980 176.980 175.101 1.879 18415 408 1 1 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.060 -0.727 18415 409 1 1 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.307 0.316 18415 410 1 1 . 1 1 74 74 ARG H H 74 8.443 8.443 7.896 0.547 18415 411 1 1 . 1 1 75 75 TRP N N 75 125.690 125.690 123.886 1.804 18415 412 1 1 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.274 0.153 18415 413 1 1 . 1 1 75 75 TRP C C 75 180.474 180.474 177.316 3.158 18415 414 1 1 . 1 1 75 75 TRP CA C 75 55.766 55.766 56.732 -0.966 18415 415 1 1 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.351 0.679 18415 416 1 1 . 1 1 75 75 TRP H H 75 9.052 9.052 8.808 0.244 18415 417 1 1 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.782 0.496 18415 418 1 1 . 1 1 76 76 VAL C C 76 175.431 175.431 174.109 1.322 18415 419 1 1 . 1 1 76 76 VAL CA C 76 64.564 64.564 63.507 1.057 18415 420 1 1 . 1 1 76 76 VAL CB C 76 32.369 32.369 30.492 1.877 18415 421 1 1 . 1 1 77 77 ASP N N 77 119.941 119.941 125.797 -5.856 18415 422 1 1 . 1 1 77 77 ASP HA H 77 3.978 3.978 3.997 -0.019 18415 423 1 1 . 1 1 77 77 ASP C C 77 176.293 176.293 175.902 0.391 18415 424 1 1 . 1 1 77 77 ASP CA C 77 52.759 52.759 55.062 -2.304 18415 425 1 1 . 1 1 77 77 ASP CB C 77 40.410 40.410 42.013 -1.603 18415 426 1 1 . 1 1 77 77 ASP H H 77 8.004 8.004 8.388 -0.384 18415 427 1 1 . 1 1 78 78 GLN N N 78 109.962 109.962 117.008 -7.046 18415 428 1 1 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.358 -0.233 18415 429 1 1 . 1 1 78 78 GLN C C 78 176.387 176.387 175.015 1.372 18415 430 1 1 . 1 1 78 78 GLN CA C 78 57.792 57.792 56.654 1.138 18415 431 1 1 . 1 1 78 78 GLN CB C 78 26.101 26.101 30.074 -3.973 18415 432 1 1 . 1 1 78 78 GLN H H 78 8.124 8.124 7.760 0.364 18415 433 1 1 . 1 1 79 79 THR N N 79 121.656 121.656 121.605 0.051 18415 434 1 1 . 1 1 79 79 THR HA H 79 4.250 4.250 4.560 -0.310 18415 435 1 1 . 1 1 79 79 THR C C 79 172.901 172.901 172.932 -0.031 18415 436 1 1 . 1 1 79 79 THR CA C 79 63.165 63.165 63.006 0.159 18415 437 1 1 . 1 1 79 79 THR CB C 79 69.427 69.427 68.456 0.971 18415 438 1 1 . 1 1 79 79 THR H H 79 8.172 8.172 8.008 0.164 18415 439 1 1 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.694 -0.172 18415 440 1 1 . 1 1 80 80 PRO C C 80 176.940 176.940 176.404 0.536 18415 441 1 1 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.603 1.085 18415 442 1 1 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.611 -0.424 18415 443 1 1 . 1 1 81 81 PHE N N 81 125.403 125.403 121.258 4.145 18415 444 1 1 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.768 0.141 18415 445 1 1 . 1 1 81 81 PHE C C 81 174.853 174.853 175.170 -0.317 18415 446 1 1 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.765 -0.412 18415 447 1 1 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.716 0.303 18415 448 1 1 . 1 1 81 81 PHE H H 81 9.015 9.015 8.742 0.273 18415 449 1 1 . 1 1 82 82 ASN N N 82 129.264 129.264 127.491 1.773 18415 450 1 1 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.824 0.231 18415 451 1 1 . 1 1 82 82 ASN C C 82 173.643 173.643 173.774 -0.131 18415 452 1 1 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.882 -3.079 18415 453 1 1 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.740 0.755 18415 454 1 1 . 1 1 82 82 ASN H H 82 8.985 8.985 8.684 0.301 18415 455 1 1 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.342 -0.339 18415 456 1 1 . 1 1 83 83 PRO C C 83 177.123 177.123 176.917 0.206 18415 457 1 1 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.487 -0.702 18415 458 1 1 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.989 0.525 18415 459 1 1 . 1 1 84 84 ARG N N 84 114.801 114.801 117.713 -2.912 18415 460 1 1 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.174 0.149 18415 461 1 1 . 1 1 84 84 ARG C C 84 176.890 176.890 175.525 1.365 18415 462 1 1 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.184 -0.181 18415 463 1 1 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.508 -0.349 18415 464 1 1 . 1 1 84 84 ARG H H 84 7.697 7.697 8.510 -0.813 18415 465 1 1 . 1 1 85 85 ARG N N 85 123.958 123.958 120.810 3.148 18415 466 1 1 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.881 0.424 18415 467 1 1 . 1 1 85 85 ARG C C 85 173.017 173.017 173.742 -0.725 18415 468 1 1 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.825 -1.016 18415 469 1 1 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.595 -0.555 18415 470 1 1 . 1 1 85 85 ARG H H 85 7.596 7.596 7.006 0.590 18415 471 1 1 . 1 1 86 86 VAL N N 86 110.039 110.039 121.588 -11.549 18415 472 1 1 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.215 0.584 18415 473 1 1 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.787 -2.521 18415 474 1 1 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.547 1.679 18415 475 1 1 . 1 1 86 86 VAL H H 86 6.570 6.570 7.544 -0.974 18415 476 1 1 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.309 0.013 18415 477 1 1 . 1 1 87 87 PHE C C 87 173.471 173.471 174.615 -1.144 18415 478 1 1 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.228 0.149 18415 479 1 1 . 1 1 87 87 PHE CB C 87 37.384 37.384 36.844 0.540 18415 480 1 1 . 1 1 88 88 TRP N N 88 118.538 118.538 122.511 -3.973 18415 481 1 1 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.627 0.175 18415 482 1 1 . 1 1 88 88 TRP C C 88 179.297 179.297 177.448 1.849 18415 483 1 1 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.755 -0.519 18415 484 1 1 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.265 1.284 18415 485 1 1 . 1 1 88 88 TRP H H 88 6.633 6.633 7.487 -0.854 18415 486 1 1 . 1 1 89 89 HIS N N 89 122.693 122.693 120.877 1.816 18415 487 1 1 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.280 0.091 18415 488 1 1 . 1 1 89 89 HIS C C 89 175.621 175.621 175.593 0.028 18415 489 1 1 . 1 1 89 89 HIS CA C 89 58.121 58.121 60.426 -2.305 18415 490 1 1 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.824 1.888 18415 491 1 1 . 1 1 89 89 HIS H H 89 9.473 9.473 8.853 0.620 18415 492 1 1 . 1 1 90 90 LYS N N 90 120.826 120.826 114.537 6.289 18415 493 1 1 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.366 -0.255 18415 494 1 1 . 1 1 90 90 LYS C C 90 177.228 177.228 174.653 2.575 18415 495 1 1 . 1 1 90 90 LYS CA C 90 58.242 58.242 56.022 2.220 18415 496 1 1 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.073 -0.591 18415 497 1 1 . 1 1 90 90 LYS H H 90 8.741 8.741 8.137 0.604 18415 498 1 1 . 1 1 91 91 ASN N N 91 117.166 117.166 118.497 -1.331 18415 499 1 1 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.511 -0.195 18415 500 1 1 . 1 1 91 91 ASN C C 91 173.391 173.391 174.671 -1.280 18415 501 1 1 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.263 2.072 18415 502 1 1 . 1 1 91 91 ASN CB C 91 37.385 37.385 36.632 0.753 18415 503 1 1 . 1 1 91 91 ASN H H 91 8.906 8.906 8.509 0.397 18415 504 1 1 . 1 1 92 92 GLU N N 92 116.991 116.991 122.519 -5.528 18415 505 1 1 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.515 -0.228 18415 506 1 1 . 1 1 92 92 GLU C C 92 173.188 173.188 175.952 -2.764 18415 507 1 1 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.440 -0.169 18415 508 1 1 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.453 0.001 18415 509 1 1 . 1 1 92 92 GLU H H 92 7.738 7.738 7.895 -0.157 18415 510 1 1 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.601 0.043 18415 511 1 1 . 1 1 95 95 ASN C C 95 175.699 175.699 174.328 1.371 18415 512 1 1 . 1 1 95 95 ASN CA C 95 53.459 53.459 52.867 0.592 18415 513 1 1 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.307 -0.582 18415 514 1 1 . 1 1 96 96 SER N N 96 116.489 116.489 118.668 -2.179 18415 515 1 1 . 1 1 96 96 SER HA H 96 4.405 4.405 4.099 0.306 18415 516 1 1 . 1 1 96 96 SER C C 96 174.831 174.831 173.171 1.660 18415 517 1 1 . 1 1 96 96 SER CA C 96 58.753 58.753 60.492 -1.739 18415 518 1 1 . 1 1 96 96 SER CB C 96 64.216 64.216 63.118 1.097 18415 519 1 1 . 1 1 96 96 SER H H 96 8.118 8.118 7.960 0.158 18415 520 1 1 . 1 1 97 97 GLN N N 97 121.023 121.023 123.499 -2.476 18415 521 1 1 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.435 -0.183 18415 522 1 1 . 1 1 97 97 GLN C C 97 176.063 176.063 175.086 0.977 18415 523 1 1 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.242 0.715 18415 524 1 1 . 1 1 97 97 GLN CB C 97 29.528 29.528 30.936 -1.408 18415 525 1 1 . 1 1 97 97 GLN H H 97 8.371 8.371 8.382 -0.011 18415 526 1 1 . 1 1 98 98 GLY N N 98 110.498 110.498 110.512 -0.014 18415 527 1 1 . 1 1 98 98 GLY C C 98 172.460 172.460 173.271 -0.811 18415 528 1 1 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.321 -0.385 18415 529 1 1 . 1 1 98 98 GLY H H 98 8.080 8.080 8.584 -0.504 18415 530 1 1 . 1 1 99 99 GLU N N 99 119.919 119.919 126.109 -6.190 18415 531 1 1 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.201 0.070 18415 532 1 1 . 1 1 99 99 GLU C C 99 176.605 176.605 174.906 1.699 18415 533 1 1 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.100 1.408 18415 534 1 1 . 1 1 99 99 GLU CB C 99 29.469 29.469 30.582 -1.113 18415 535 1 1 . 1 1 99 99 GLU H H 99 8.004 8.004 8.299 -0.295 18415 536 1 1 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.252 0.028 18415 537 1 1 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.230 1.151 18415 538 1 1 . 1 1 100 100 ASN CB C 100 41.917 41.917 41.045 0.872 18415 539 1 1 . 1 1 101 101 CYS N N 101 121.118 121.118 121.898 -0.780 18415 540 1 1 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.000 0.490 18415 541 1 1 . 1 1 101 101 CYS CA C 101 59.338 59.338 57.975 1.363 18415 542 1 1 . 1 1 101 101 CYS CB C 101 43.778 43.778 29.882 13.896 18415 543 1 1 . 1 1 101 101 CYS H H 101 9.707 9.707 9.093 0.614 18415 544 1 1 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.141 0.045 18415 545 1 1 . 1 1 102 102 VAL C C 102 175.530 175.530 175.106 0.424 18415 546 1 1 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.757 2.276 18415 547 1 1 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.423 2.731 18415 548 1 1 . 1 1 103 103 VAL N N 103 115.890 115.890 118.932 -3.042 18415 549 1 1 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.102 0.246 18415 550 1 1 . 1 1 103 103 VAL C C 103 175.136 175.136 174.786 0.350 18415 551 1 1 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.494 -1.757 18415 552 1 1 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.606 -0.472 18415 553 1 1 . 1 1 103 103 VAL H H 103 8.698 8.698 8.930 -0.232 18415 554 1 1 . 1 1 104 104 LEU N N 104 124.477 124.477 124.177 0.300 18415 555 1 1 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.164 -0.188 18415 556 1 1 . 1 1 104 104 LEU C C 104 176.248 176.248 176.228 0.020 18415 557 1 1 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.915 0.078 18415 558 1 1 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.003 2.839 18415 559 1 1 . 1 1 104 104 LEU H H 104 9.453 9.453 9.087 0.366 18415 560 1 1 . 1 1 105 105 VAL N N 105 123.109 123.109 125.694 -2.585 18415 561 1 1 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.653 0.362 18415 562 1 1 . 1 1 105 105 VAL C C 105 173.635 173.635 173.522 0.113 18415 563 1 1 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.443 1.790 18415 564 1 1 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.247 0.387 18415 565 1 1 . 1 1 105 105 VAL H H 105 9.477 9.477 8.641 0.836 18415 566 1 1 . 1 1 106 106 TYR N N 106 136.491 136.491 129.526 6.965 18415 567 1 1 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.338 0.127 18415 568 1 1 . 1 1 106 106 TYR C C 106 175.009 175.009 173.499 1.510 18415 569 1 1 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.095 -0.046 18415 570 1 1 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.453 0.499 18415 571 1 1 . 1 1 106 106 TYR H H 106 9.509 9.509 8.267 1.242 18415 572 1 1 . 1 1 107 107 ASN N N 107 124.433 124.433 123.764 0.669 18415 573 1 1 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.775 -0.225 18415 574 1 1 . 1 1 107 107 ASN C C 107 173.919 173.919 174.549 -0.630 18415 575 1 1 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.187 0.422 18415 576 1 1 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.876 0.134 18415 577 1 1 . 1 1 107 107 ASN H H 107 8.329 8.329 8.055 0.274 18415 578 1 1 . 1 1 108 108 GLN N N 108 119.681 119.681 124.260 -4.579 18415 579 1 1 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.988 -0.334 18415 580 1 1 . 1 1 108 108 GLN C C 108 175.060 175.060 174.549 0.511 18415 581 1 1 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.153 0.453 18415 582 1 1 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.785 -0.521 18415 583 1 1 . 1 1 108 108 GLN H H 108 8.558 8.558 8.857 -0.299 18415 584 1 1 . 1 1 109 109 ASP N N 109 109.712 109.712 111.737 -2.025 18415 585 1 1 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.296 0.681 18415 586 1 1 . 1 1 109 109 ASP C C 109 174.354 174.354 174.563 -0.209 18415 587 1 1 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.273 -0.074 18415 588 1 1 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.352 -0.326 18415 589 1 1 . 1 1 109 109 ASP H H 109 8.199 8.199 8.387 -0.188 18415 590 1 1 . 1 1 110 110 LYS N N 110 115.590 115.590 116.166 -0.576 18415 591 1 1 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.543 0.009 18415 592 1 1 . 1 1 110 110 LYS C C 110 174.674 174.674 175.206 -0.532 18415 593 1 1 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.355 1.114 18415 594 1 1 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.161 1.428 18415 595 1 1 . 1 1 110 110 LYS H H 110 7.081 7.081 7.226 -0.145 18415 596 1 1 . 1 1 111 111 TRP N N 111 122.248 122.248 125.749 -3.501 18415 597 1 1 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.200 -0.127 18415 598 1 1 . 1 1 111 111 TRP C C 111 175.920 175.920 176.686 -0.766 18415 599 1 1 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.878 -0.689 18415 600 1 1 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.076 0.793 18415 601 1 1 . 1 1 111 111 TRP H H 111 8.650 8.650 8.715 -0.065 18415 602 1 1 . 1 1 112 112 ALA N N 112 124.184 124.184 124.977 -0.793 18415 603 1 1 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.708 -0.540 18415 604 1 1 . 1 1 112 112 ALA C C 112 174.995 174.995 175.569 -0.574 18415 605 1 1 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.923 0.392 18415 606 1 1 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.198 -5.316 18415 607 1 1 . 1 1 112 112 ALA H H 112 8.790 8.790 9.042 -0.252 18415 608 1 1 . 1 1 113 113 TRP N N 113 118.725 118.725 119.903 -1.178 18415 609 1 1 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.377 0.779 18415 610 1 1 . 1 1 113 113 TRP C C 113 177.471 177.471 176.450 1.021 18415 611 1 1 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.982 -0.367 18415 612 1 1 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.241 3.133 18415 613 1 1 . 1 1 113 113 TRP H H 113 8.969 8.969 8.970 -0.001 18415 614 1 1 . 1 1 114 114 ASN N N 114 120.479 120.479 121.564 -1.085 18415 615 1 1 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.247 0.243 18415 616 1 1 . 1 1 114 114 ASN C C 114 174.708 174.708 173.822 0.886 18415 617 1 1 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.981 -0.223 18415 618 1 1 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.780 0.238 18415 619 1 1 . 1 1 114 114 ASN H H 114 9.518 9.518 9.257 0.261 18415 620 1 1 . 1 1 115 115 ASP N N 115 118.209 118.209 125.297 -7.088 18415 621 1 1 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.053 0.818 18415 622 1 1 . 1 1 115 115 ASP C C 115 174.291 174.291 175.145 -0.854 18415 623 1 1 . 1 1 115 115 ASP CA C 115 52.187 52.187 53.627 -1.440 18415 624 1 1 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.425 -0.921 18415 625 1 1 . 1 1 115 115 ASP H H 115 8.563 8.563 8.836 -0.273 18415 626 1 1 . 1 1 116 116 VAL N N 116 118.669 118.669 114.101 4.568 18415 627 1 1 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.882 0.013 18415 628 1 1 . 1 1 116 116 VAL C C 116 172.334 172.334 173.995 -1.661 18415 629 1 1 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.609 0.672 18415 630 1 1 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.267 0.066 18415 631 1 1 . 1 1 116 116 VAL H H 116 9.369 9.369 8.759 0.610 18415 632 1 1 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.810 0.124 18415 633 1 1 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.738 0.338 18415 634 1 1 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.380 0.979 18415 635 1 1 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.468 -0.018 18415 636 1 1 . 1 1 118 118 CYS C C 118 175.583 175.583 175.661 -0.078 18415 637 1 1 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.593 -1.689 18415 638 1 1 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.285 17.556 18415 639 1 1 . 1 1 119 119 ASN N N 119 117.251 117.251 116.938 0.313 18415 640 1 1 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.695 0.218 18415 641 1 1 . 1 1 119 119 ASN C C 119 174.849 174.849 175.232 -0.383 18415 642 1 1 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.447 -0.305 18415 643 1 1 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.493 -1.417 18415 644 1 1 . 1 1 119 119 ASN H H 119 8.411 8.411 8.231 0.180 18415 645 1 1 . 1 1 120 120 PHE N N 120 123.415 123.415 121.958 1.457 18415 646 1 1 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.640 -0.094 18415 647 1 1 . 1 1 120 120 PHE C C 120 173.156 173.156 175.063 -1.907 18415 648 1 1 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.700 0.660 18415 649 1 1 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.024 -0.575 18415 650 1 1 . 1 1 120 120 PHE H H 120 8.097 8.097 8.097 0.000 18415 651 1 1 . 1 1 121 121 GLU N N 121 119.143 119.143 125.820 -6.677 18415 652 1 1 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.869 -0.316 18415 653 1 1 . 1 1 121 121 GLU C C 121 174.732 174.732 174.838 -0.106 18415 654 1 1 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.013 -1.425 18415 655 1 1 . 1 1 121 121 GLU CB C 121 30.420 30.420 30.880 -0.460 18415 656 1 1 . 1 1 121 121 GLU H H 121 7.012 7.012 8.152 -1.140 18415 657 1 1 . 1 1 122 122 ALA N N 122 125.793 125.793 126.695 -0.902 18415 658 1 1 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.467 0.004 18415 659 1 1 . 1 1 122 122 ALA C C 122 177.616 177.616 175.200 2.416 18415 660 1 1 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.740 0.503 18415 661 1 1 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.593 -0.991 18415 662 1 1 . 1 1 122 122 ALA H H 122 8.441 8.441 9.304 -0.863 18415 663 1 1 . 1 1 123 123 SER N N 123 115.420 115.420 114.613 0.807 18415 664 1 1 . 1 1 123 123 SER HA H 123 4.522 4.522 5.613 -1.091 18415 665 1 1 . 1 1 123 123 SER C C 123 172.514 172.514 174.892 -2.378 18415 666 1 1 . 1 1 123 123 SER CA C 123 60.661 60.661 56.953 3.708 18415 667 1 1 . 1 1 123 123 SER CB C 123 62.943 62.943 64.154 -1.211 18415 668 1 1 . 1 1 123 123 SER H H 123 7.716 7.716 7.946 -0.230 18415 669 1 1 . 1 1 124 124 ARG N N 124 112.529 112.529 116.943 -4.414 18415 670 1 1 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.179 0.311 18415 671 1 1 . 1 1 124 124 ARG C C 124 173.779 173.779 174.269 -0.490 18415 672 1 1 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.500 0.439 18415 673 1 1 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.849 -1.924 18415 674 1 1 . 1 1 124 124 ARG H H 124 8.840 8.840 9.108 -0.268 18415 675 1 1 . 1 1 125 125 ILE N N 125 116.525 116.525 119.557 -3.032 18415 676 1 1 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.862 -0.144 18415 677 1 1 . 1 1 125 125 ILE C C 125 175.656 175.656 174.547 1.109 18415 678 1 1 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.539 1.297 18415 679 1 1 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.442 0.116 18415 680 1 1 . 1 1 125 125 ILE H H 125 6.989 6.989 8.268 -1.279 18415 681 1 1 . 1 1 126 126 CYS N N 126 123.910 123.910 127.401 -3.491 18415 682 1 1 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.300 0.270 18415 683 1 1 . 1 1 126 126 CYS C C 126 173.662 173.662 173.238 0.424 18415 684 1 1 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.854 -5.014 18415 685 1 1 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.578 9.563 18415 686 1 1 . 1 1 126 126 CYS H H 126 8.288 8.288 9.253 -0.965 18415 687 1 1 . 1 1 127 127 LYS N N 127 124.170 124.170 130.067 -5.897 18415 688 1 1 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.646 -0.027 18415 689 1 1 . 1 1 127 127 LYS C C 127 174.637 174.637 174.627 0.010 18415 690 1 1 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.633 0.602 18415 691 1 1 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.820 2.698 18415 692 1 1 . 1 1 127 127 LYS H H 127 9.681 9.681 9.514 0.167 18415 693 1 1 . 1 1 128 128 ILE N N 128 129.226 129.226 126.669 2.557 18415 694 1 1 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.616 0.284 18415 695 1 1 . 1 1 128 128 ILE C C 128 172.463 172.463 172.874 -0.411 18415 696 1 1 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.047 1.337 18415 697 1 1 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.632 2.256 18415 698 1 1 . 1 1 128 128 ILE H H 128 9.205 9.205 9.179 0.026 18415 699 1 1 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.647 0.344 18415 700 1 1 . 1 1 129 129 PRO C C 129 177.954 177.954 177.413 0.541 18415 701 1 1 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.361 0.263 18415 702 1 1 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.164 0.337 18415 703 1 1 . 1 1 130 130 GLY N N 130 110.745 110.745 107.443 3.302 18415 704 1 1 . 1 1 130 130 GLY C C 130 175.022 175.022 174.636 0.386 18415 705 1 1 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.154 1.102 18415 706 1 1 . 1 1 130 130 GLY H H 130 8.673 8.673 8.782 -0.109 18415 707 1 1 . 1 1 131 131 THR N N 131 112.246 112.246 115.243 -2.997 18415 708 1 1 . 1 1 131 131 THR HA H 131 4.427 4.427 4.313 0.114 18415 709 1 1 . 1 1 131 131 THR C C 131 175.259 175.259 175.996 -0.737 18415 710 1 1 . 1 1 131 131 THR CA C 131 61.500 61.500 62.158 -0.659 18415 711 1 1 . 1 1 131 131 THR CB C 131 69.998 69.998 68.558 1.440 18415 712 1 1 . 1 1 131 131 THR H H 131 7.870 7.870 8.107 -0.237 18415 713 1 1 . 1 1 132 132 THR N N 132 116.455 116.455 118.608 -2.153 18415 714 1 1 . 1 1 132 132 THR HA H 132 4.281 4.281 3.911 0.370 18415 715 1 1 . 1 1 132 132 THR C C 132 174.867 174.867 175.121 -0.254 18415 716 1 1 . 1 1 132 132 THR CA C 132 62.453 62.453 65.985 -3.532 18415 717 1 1 . 1 1 132 132 THR CB C 132 69.868 69.868 68.305 1.563 18415 718 1 1 . 1 1 132 132 THR H H 132 8.120 8.120 8.160 -0.040 18415 719 1 1 . 1 1 133 133 LEU N N 133 124.001 124.001 117.643 6.358 18415 720 1 1 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.090 0.172 18415 721 1 1 . 1 1 133 133 LEU C C 133 177.365 177.365 178.297 -0.932 18415 722 1 1 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.617 -0.870 18415 723 1 1 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.621 0.701 18415 724 1 1 . 1 1 133 133 LEU H H 133 8.117 8.117 7.370 0.747 18415 725 1 1 . 1 1 134 134 ASN N N 134 119.222 119.222 116.703 2.519 18415 726 1 1 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.679 -0.058 18415 727 1 1 . 1 1 134 134 ASN C C 134 175.725 175.725 175.319 0.406 18415 728 1 1 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.367 -0.742 18415 729 1 1 . 1 1 134 134 ASN CB C 134 38.836 38.836 38.517 0.319 18415 730 1 1 . 1 1 134 134 ASN H H 134 8.325 8.325 7.763 0.562 18415 731 1 1 . 1 1 135 135 ALA N N 135 123.649 123.649 121.164 2.485 18415 732 1 1 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.392 -0.263 18415 733 1 1 . 1 1 135 135 ALA C C 135 179.061 179.061 178.342 0.719 18415 734 1 1 . 1 1 135 135 ALA CA C 135 53.932 53.932 52.198 1.734 18415 735 1 1 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.096 0.843 18415 736 1 1 . 1 1 135 135 ALA H H 135 8.205 8.205 7.141 1.064 18415 737 1 1 . 1 1 136 136 GLU N N 136 119.187 119.187 120.736 -1.549 18415 738 1 1 . 1 1 136 136 GLU HA H 136 4.205 4.205 3.994 0.211 18415 739 1 1 . 1 1 136 136 GLU C C 136 177.504 177.504 178.476 -0.972 18415 740 1 1 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.237 -1.358 18415 741 1 1 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.822 0.824 18415 742 1 1 . 1 1 136 136 GLU H H 136 8.349 8.349 8.277 0.072 18415 743 1 1 . 1 1 137 137 ASN N N 137 118.988 118.988 118.218 0.770 18415 744 1 1 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.725 -0.088 18415 745 1 1 . 1 1 137 137 ASN C C 137 176.785 176.785 177.384 -0.599 18415 746 1 1 . 1 1 137 137 ASN CA C 137 54.474 54.474 54.949 -0.475 18415 747 1 1 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.703 0.006 18415 748 1 1 . 1 1 137 137 ASN H H 137 8.259 8.259 8.196 0.063 18415 749 1 1 . 1 1 138 138 LEU N N 138 121.438 121.438 121.927 -0.489 18415 750 1 1 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.054 0.081 18415 751 1 1 . 1 1 138 138 LEU C C 138 178.872 178.872 178.303 0.569 18415 752 1 1 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.486 -1.559 18415 753 1 1 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.495 0.506 18415 754 1 1 . 1 1 138 138 LEU H H 138 8.084 8.084 7.806 0.278 18415 755 1 1 . 1 1 139 139 TYR N N 139 120.558 120.558 118.450 2.108 18415 756 1 1 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.416 -0.130 18415 757 1 1 . 1 1 139 139 TYR C C 139 177.587 177.587 178.549 -0.962 18415 758 1 1 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.098 0.047 18415 759 1 1 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.580 -0.214 18415 760 1 1 . 1 1 139 139 TYR H H 139 8.130 8.130 7.925 0.205 18415 761 1 1 . 1 1 140 140 PHE N N 140 120.508 120.508 120.014 0.494 18415 762 1 1 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.214 0.141 18415 763 1 1 . 1 1 140 140 PHE C C 140 177.425 177.425 176.574 0.851 18415 764 1 1 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.399 -0.769 18415 765 1 1 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.232 0.020 18415 766 1 1 . 1 1 140 140 PHE H H 140 8.275 8.275 7.699 0.576 18415 767 1 1 . 1 1 141 141 GLN N N 141 119.274 119.274 117.670 1.604 18415 768 1 1 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.157 -0.044 18415 769 1 1 . 1 1 141 141 GLN C C 141 176.976 176.976 176.173 0.803 18415 770 1 1 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.426 0.937 18415 771 1 1 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.292 -0.264 18415 772 1 1 . 1 1 141 141 GLN H H 141 8.250 8.250 7.831 0.419 18415 773 1 2 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.377 -0.590 18415 774 1 2 . 1 1 2 2 VAL C C 2 172.250 172.250 173.836 -1.586 18415 775 1 2 . 1 1 2 2 VAL CA C 2 61.294 61.294 59.348 1.946 18415 776 1 2 . 1 1 2 2 VAL CB C 2 33.708 33.708 35.019 -1.310 18415 777 1 2 . 1 1 3 3 CYS N N 3 121.988 121.988 120.804 1.184 18415 778 1 2 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.471 0.734 18415 779 1 2 . 1 1 3 3 CYS C C 3 171.993 171.993 173.090 -1.097 18415 780 1 2 . 1 1 3 3 CYS CA C 3 52.044 52.044 55.564 -3.520 18415 781 1 2 . 1 1 3 3 CYS CB C 3 39.461 39.461 27.756 11.705 18415 782 1 2 . 1 1 3 3 CYS H H 3 8.628 8.628 8.407 0.221 18415 783 1 2 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.874 -0.051 18415 784 1 2 . 1 1 5 5 ILE C C 5 176.622 176.622 176.475 0.147 18415 785 1 2 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.417 0.882 18415 786 1 2 . 1 1 5 5 ILE CB C 5 38.044 38.044 36.805 1.239 18415 787 1 2 . 1 1 6 6 ASP N N 6 117.894 117.894 121.265 -3.371 18415 788 1 2 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.491 -0.147 18415 789 1 2 . 1 1 6 6 ASP H H 6 8.606 8.606 8.414 0.192 18415 790 1 2 . 1 1 7 7 TRP N N 7 120.564 120.564 118.550 2.014 18415 791 1 2 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.749 -0.059 18415 792 1 2 . 1 1 7 7 TRP C C 7 176.415 176.415 176.400 0.015 18415 793 1 2 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.212 0.826 18415 794 1 2 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.690 -0.919 18415 795 1 2 . 1 1 7 7 TRP H H 7 8.208 8.208 7.879 0.329 18415 796 1 2 . 1 1 8 8 ARG N N 8 119.872 119.872 123.201 -3.329 18415 797 1 2 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.472 0.214 18415 798 1 2 . 1 1 8 8 ARG C C 8 176.146 176.146 175.667 0.479 18415 799 1 2 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.408 -0.467 18415 800 1 2 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.364 1.199 18415 801 1 2 . 1 1 8 8 ARG H H 8 9.456 9.456 9.101 0.355 18415 802 1 2 . 1 1 9 9 ALA N N 9 127.265 127.265 130.588 -3.323 18415 803 1 2 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.890 0.501 18415 804 1 2 . 1 1 9 9 ALA C C 9 176.927 176.927 176.485 0.442 18415 805 1 2 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.805 0.205 18415 806 1 2 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.775 2.888 18415 807 1 2 . 1 1 9 9 ALA H H 9 8.819 8.819 8.384 0.435 18415 808 1 2 . 1 1 10 10 PHE N N 10 120.450 120.450 126.273 -5.823 18415 809 1 2 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.680 -0.486 18415 810 1 2 . 1 1 10 10 PHE C C 10 174.606 174.606 175.134 -0.528 18415 811 1 2 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.771 0.755 18415 812 1 2 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.703 -0.842 18415 813 1 2 . 1 1 10 10 PHE H H 10 8.202 8.202 9.032 -0.830 18415 814 1 2 . 1 1 11 11 GLN N N 11 126.391 126.391 124.409 1.982 18415 815 1 2 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.524 -0.063 18415 816 1 2 . 1 1 11 11 GLN C C 11 175.859 175.859 175.606 0.253 18415 817 1 2 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.932 -0.680 18415 818 1 2 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.360 -1.398 18415 819 1 2 . 1 1 11 11 GLN H H 11 8.872 8.872 8.698 0.173 18415 820 1 2 . 1 1 12 12 SER N N 12 113.087 113.087 111.251 1.836 18415 821 1 2 . 1 1 12 12 SER HA H 12 4.252 4.252 4.529 -0.277 18415 822 1 2 . 1 1 12 12 SER C C 12 173.339 173.339 174.252 -0.913 18415 823 1 2 . 1 1 12 12 SER CA C 12 59.795 59.795 58.688 1.107 18415 824 1 2 . 1 1 12 12 SER CB C 12 62.943 62.943 65.359 -2.416 18415 825 1 2 . 1 1 12 12 SER H H 12 8.189 8.189 8.430 -0.241 18415 826 1 2 . 1 1 13 13 ASN N N 13 118.336 118.336 121.282 -2.946 18415 827 1 2 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.921 0.335 18415 828 1 2 . 1 1 13 13 ASN C C 13 174.330 174.330 174.105 0.225 18415 829 1 2 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.691 -0.349 18415 830 1 2 . 1 1 13 13 ASN CB C 13 43.458 43.458 39.998 3.460 18415 831 1 2 . 1 1 13 13 ASN H H 13 8.242 8.242 7.758 0.484 18415 832 1 2 . 1 1 14 14 CYS N N 14 118.315 118.315 116.926 1.389 18415 833 1 2 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.047 0.814 18415 834 1 2 . 1 1 14 14 CYS C C 14 174.314 174.314 173.405 0.909 18415 835 1 2 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.091 -4.406 18415 836 1 2 . 1 1 14 14 CYS CB C 14 44.019 44.019 28.509 15.510 18415 837 1 2 . 1 1 14 14 CYS H H 14 8.592 8.592 8.724 -0.132 18415 838 1 2 . 1 1 15 15 TYR N N 15 121.588 121.588 121.095 0.493 18415 839 1 2 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.405 0.372 18415 840 1 2 . 1 1 15 15 TYR C C 15 176.333 176.333 174.076 2.257 18415 841 1 2 . 1 1 15 15 TYR CA C 15 57.616 57.616 56.172 1.444 18415 842 1 2 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.874 2.709 18415 843 1 2 . 1 1 15 15 TYR H H 15 9.947 9.947 9.241 0.706 18415 844 1 2 . 1 1 16 16 PHE N N 16 121.989 121.989 122.951 -0.962 18415 845 1 2 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.737 0.174 18415 846 1 2 . 1 1 16 16 PHE C C 16 172.937 172.937 172.568 0.369 18415 847 1 2 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.183 -0.785 18415 848 1 2 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.309 -2.239 18415 849 1 2 . 1 1 16 16 PHE H H 16 8.717 8.717 8.975 -0.258 18415 850 1 2 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.653 0.463 18415 851 1 2 . 1 1 17 17 PRO C C 17 175.445 175.445 175.043 0.402 18415 852 1 2 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.623 -0.135 18415 853 1 2 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.216 -0.225 18415 854 1 2 . 1 1 18 18 LEU N N 18 126.062 126.062 124.767 1.295 18415 855 1 2 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.558 0.123 18415 856 1 2 . 1 1 18 18 LEU C C 18 177.391 177.391 177.756 -0.365 18415 857 1 2 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.092 1.268 18415 858 1 2 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.007 1.475 18415 859 1 2 . 1 1 18 18 LEU H H 18 9.054 9.054 9.117 -0.063 18415 860 1 2 . 1 1 19 19 THR N N 19 109.256 109.256 112.802 -3.546 18415 861 1 2 . 1 1 19 19 THR HA H 19 4.612 4.612 4.222 0.390 18415 862 1 2 . 1 1 19 19 THR C C 19 175.613 175.613 174.285 1.328 18415 863 1 2 . 1 1 19 19 THR CA C 19 62.236 62.236 62.401 -0.165 18415 864 1 2 . 1 1 19 19 THR CB C 19 69.530 69.530 69.185 0.345 18415 865 1 2 . 1 1 19 19 THR H H 19 8.303 8.303 8.561 -0.258 18415 866 1 2 . 1 1 20 20 ASP N N 20 121.645 121.645 121.083 0.562 18415 867 1 2 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.483 -0.026 18415 868 1 2 . 1 1 20 20 ASP C C 20 174.684 174.684 175.021 -0.337 18415 869 1 2 . 1 1 20 20 ASP CA C 20 53.118 53.118 54.028 -0.910 18415 870 1 2 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.943 -1.874 18415 871 1 2 . 1 1 20 20 ASP H H 20 8.834 8.834 7.938 0.896 18415 872 1 2 . 1 1 21 21 ASN N N 21 118.648 118.648 120.163 -1.515 18415 873 1 2 . 1 1 21 21 ASN HA H 21 4.646 4.646 5.199 -0.553 18415 874 1 2 . 1 1 21 21 ASN C C 21 176.542 176.542 174.480 2.062 18415 875 1 2 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.811 0.641 18415 876 1 2 . 1 1 21 21 ASN CB C 21 39.453 39.453 40.817 -1.364 18415 877 1 2 . 1 1 21 21 ASN H H 21 8.113 8.113 8.528 -0.415 18415 878 1 2 . 1 1 22 22 LYS N N 22 122.470 122.470 120.316 2.154 18415 879 1 2 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.891 -0.035 18415 880 1 2 . 1 1 22 22 LYS C C 22 176.711 176.711 176.014 0.697 18415 881 1 2 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.847 0.818 18415 882 1 2 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.809 2.731 18415 883 1 2 . 1 1 22 22 LYS H H 22 8.794 8.794 9.042 -0.248 18415 884 1 2 . 1 1 23 23 THR N N 23 109.009 109.009 114.709 -5.700 18415 885 1 2 . 1 1 23 23 THR HA H 23 5.647 5.647 4.776 0.871 18415 886 1 2 . 1 1 23 23 THR C C 23 178.411 178.411 175.854 2.557 18415 887 1 2 . 1 1 23 23 THR CA C 23 61.773 61.773 62.072 -0.299 18415 888 1 2 . 1 1 23 23 THR CB C 23 71.820 71.820 69.464 2.356 18415 889 1 2 . 1 1 23 23 THR H H 23 8.250 8.250 9.428 -1.178 18415 890 1 2 . 1 1 24 24 TRP N N 24 126.345 126.345 123.836 2.509 18415 891 1 2 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.521 -0.491 18415 892 1 2 . 1 1 24 24 TRP C C 24 178.204 178.204 177.014 1.190 18415 893 1 2 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.270 2.311 18415 894 1 2 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.252 1.402 18415 895 1 2 . 1 1 24 24 TRP H H 24 8.279 8.279 8.423 -0.144 18415 896 1 2 . 1 1 25 25 ALA N N 25 119.965 119.965 120.104 -0.139 18415 897 1 2 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.080 -0.132 18415 898 1 2 . 1 1 25 25 ALA C C 25 182.089 182.089 179.915 2.174 18415 899 1 2 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.296 0.594 18415 900 1 2 . 1 1 25 25 ALA CB C 25 18.255 18.255 17.978 0.277 18415 901 1 2 . 1 1 25 25 ALA H H 25 9.634 9.634 8.367 1.267 18415 902 1 2 . 1 1 26 26 GLU N N 26 116.492 116.492 118.646 -2.154 18415 903 1 2 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.985 0.078 18415 904 1 2 . 1 1 26 26 GLU C C 26 179.756 179.756 179.158 0.598 18415 905 1 2 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.173 -0.878 18415 906 1 2 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.209 1.274 18415 907 1 2 . 1 1 26 26 GLU H H 26 7.392 7.392 7.953 -0.561 18415 908 1 2 . 1 1 27 27 SER N N 27 121.197 121.197 115.856 5.341 18415 909 1 2 . 1 1 27 27 SER HA H 27 3.855 3.855 4.068 -0.213 18415 910 1 2 . 1 1 27 27 SER C C 27 174.299 174.299 176.550 -2.251 18415 911 1 2 . 1 1 27 27 SER CA C 27 63.344 63.344 62.438 0.906 18415 912 1 2 . 1 1 27 27 SER CB C 27 62.329 62.329 62.586 -0.257 18415 913 1 2 . 1 1 27 27 SER H H 27 8.596 8.596 8.520 0.076 18415 914 1 2 . 1 1 28 28 GLU N N 28 124.173 124.173 120.738 3.435 18415 915 1 2 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.070 0.198 18415 916 1 2 . 1 1 28 28 GLU C C 28 178.856 178.856 178.333 0.523 18415 917 1 2 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.484 0.715 18415 918 1 2 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.015 -2.115 18415 919 1 2 . 1 1 28 28 GLU H H 28 8.133 8.133 7.659 0.474 18415 920 1 2 . 1 1 29 29 ARG N N 29 120.498 120.498 118.717 1.781 18415 921 1 2 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.083 -0.040 18415 922 1 2 . 1 1 29 29 ARG C C 29 179.339 179.339 178.544 0.795 18415 923 1 2 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.240 0.451 18415 924 1 2 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.195 0.040 18415 925 1 2 . 1 1 29 29 ARG H H 29 7.962 7.962 7.744 0.218 18415 926 1 2 . 1 1 30 30 ASN N N 30 119.000 119.000 117.324 1.676 18415 927 1 2 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.561 -0.114 18415 928 1 2 . 1 1 30 30 ASN C C 30 178.153 178.153 175.755 2.398 18415 929 1 2 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.264 2.386 18415 930 1 2 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.254 1.182 18415 931 1 2 . 1 1 30 30 ASN H H 30 7.960 7.960 8.125 -0.165 18415 932 1 2 . 1 1 31 31 CYS N N 31 116.301 116.301 117.248 -0.947 18415 933 1 2 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.677 -0.196 18415 934 1 2 . 1 1 31 31 CYS C C 31 178.072 178.072 175.690 2.382 18415 935 1 2 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.003 -3.593 18415 936 1 2 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.466 6.242 18415 937 1 2 . 1 1 31 31 CYS H H 31 8.477 8.477 7.938 0.539 18415 938 1 2 . 1 1 32 32 SER N N 32 119.834 119.834 114.651 5.183 18415 939 1 2 . 1 1 32 32 SER HA H 32 4.700 4.700 4.185 0.515 18415 940 1 2 . 1 1 32 32 SER C C 32 179.062 179.062 176.597 2.465 18415 941 1 2 . 1 1 32 32 SER CA C 32 61.663 61.663 61.425 0.238 18415 942 1 2 . 1 1 32 32 SER CB C 32 62.655 62.655 62.011 0.644 18415 943 1 2 . 1 1 32 32 SER H H 32 9.206 9.206 8.782 0.424 18415 944 1 2 . 1 1 33 33 GLY N N 33 111.632 111.632 110.600 1.032 18415 945 1 2 . 1 1 33 33 GLY C C 33 174.861 174.861 174.962 -0.101 18415 946 1 2 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.419 -0.752 18415 947 1 2 . 1 1 33 33 GLY H H 33 8.053 8.053 8.490 -0.437 18415 948 1 2 . 1 1 34 34 MET N N 34 116.998 116.998 115.632 1.366 18415 949 1 2 . 1 1 34 34 MET HA H 34 4.596 4.596 4.749 -0.153 18415 950 1 2 . 1 1 34 34 MET C C 34 175.356 175.356 176.286 -0.930 18415 951 1 2 . 1 1 34 34 MET CA C 34 54.887 54.887 54.103 0.784 18415 952 1 2 . 1 1 34 34 MET CB C 34 33.959 33.959 32.773 1.186 18415 953 1 2 . 1 1 34 34 MET H H 34 7.441 7.441 7.321 0.120 18415 954 1 2 . 1 1 35 35 GLY N N 35 106.474 106.474 107.718 -1.244 18415 955 1 2 . 1 1 35 35 GLY C C 35 173.112 173.112 173.319 -0.207 18415 956 1 2 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.249 0.152 18415 957 1 2 . 1 1 35 35 GLY H H 35 7.807 7.807 7.952 -0.145 18415 958 1 2 . 1 1 36 36 ALA N N 36 121.833 121.833 120.535 1.298 18415 959 1 2 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.434 0.268 18415 960 1 2 . 1 1 36 36 ALA C C 36 174.285 174.285 174.901 -0.616 18415 961 1 2 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.497 -0.776 18415 962 1 2 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.897 2.765 18415 963 1 2 . 1 1 36 36 ALA H H 36 7.693 7.693 7.393 0.300 18415 964 1 2 . 1 1 37 37 HIS N N 37 111.683 111.683 114.045 -2.362 18415 965 1 2 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.479 -0.348 18415 966 1 2 . 1 1 37 37 HIS C C 37 175.351 175.351 175.033 0.318 18415 967 1 2 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.270 0.303 18415 968 1 2 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.624 0.347 18415 969 1 2 . 1 1 37 37 HIS H H 37 8.078 8.078 8.457 -0.379 18415 970 1 2 . 1 1 38 38 LEU N N 38 123.260 123.260 121.379 1.881 18415 971 1 2 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.522 0.251 18415 972 1 2 . 1 1 38 38 LEU C C 38 179.180 179.180 177.687 1.493 18415 973 1 2 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.784 0.582 18415 974 1 2 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.676 0.980 18415 975 1 2 . 1 1 38 38 LEU H H 38 9.964 9.964 8.784 1.180 18415 976 1 2 . 1 1 39 39 MET N N 39 119.511 119.511 122.530 -3.019 18415 977 1 2 . 1 1 39 39 MET HA H 39 3.855 3.855 4.464 -0.609 18415 978 1 2 . 1 1 39 39 MET C C 39 174.874 174.874 175.389 -0.515 18415 979 1 2 . 1 1 39 39 MET CA C 39 58.789 58.789 55.140 3.649 18415 980 1 2 . 1 1 39 39 MET CB C 39 34.405 34.405 31.705 2.700 18415 981 1 2 . 1 1 39 39 MET H H 39 8.409 8.409 8.439 -0.030 18415 982 1 2 . 1 1 40 40 THR N N 40 123.771 123.771 119.593 4.178 18415 983 1 2 . 1 1 40 40 THR HA H 40 4.013 4.013 5.059 -1.046 18415 984 1 2 . 1 1 40 40 THR C C 40 172.936 172.936 174.332 -1.396 18415 985 1 2 . 1 1 40 40 THR CA C 40 59.869 59.869 60.426 -0.557 18415 986 1 2 . 1 1 40 40 THR CB C 40 70.587 70.587 67.977 2.611 18415 987 1 2 . 1 1 40 40 THR H H 40 6.822 6.822 8.408 -1.586 18415 988 1 2 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.102 0.147 18415 989 1 2 . 1 1 41 41 ILE C C 41 174.349 174.349 176.656 -2.307 18415 990 1 2 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.403 -2.646 18415 991 1 2 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.852 1.719 18415 992 1 2 . 1 1 42 42 SER N N 42 122.113 122.113 123.504 -1.391 18415 993 1 2 . 1 1 42 42 SER HA H 42 4.647 4.647 4.221 0.426 18415 994 1 2 . 1 1 42 42 SER C C 42 174.502 174.502 174.911 -0.409 18415 995 1 2 . 1 1 42 42 SER CA C 42 59.768 59.768 61.413 -1.645 18415 996 1 2 . 1 1 42 42 SER CB C 42 64.720 64.720 63.490 1.230 18415 997 1 2 . 1 1 42 42 SER H H 42 9.230 9.230 9.466 -0.236 18415 998 1 2 . 1 1 43 43 THR N N 43 108.516 108.516 109.964 -1.448 18415 999 1 2 . 1 1 43 43 THR HA H 43 4.807 4.807 4.660 0.147 18415 1000 1 2 . 1 1 43 43 THR C C 43 173.812 173.812 174.261 -0.449 18415 1001 1 2 . 1 1 43 43 THR CA C 43 59.249 59.249 59.401 -0.152 18415 1002 1 2 . 1 1 43 43 THR CB C 43 73.128 73.128 71.615 1.514 18415 1003 1 2 . 1 1 43 43 THR H H 43 7.559 7.559 7.628 -0.069 18415 1004 1 2 . 1 1 44 44 GLU N N 44 123.057 123.057 121.777 1.280 18415 1005 1 2 . 1 1 44 44 GLU HA H 44 3.449 3.449 3.942 -0.493 18415 1006 1 2 . 1 1 44 44 GLU C C 44 178.262 178.262 178.151 0.111 18415 1007 1 2 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.286 0.043 18415 1008 1 2 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.043 0.399 18415 1009 1 2 . 1 1 44 44 GLU H H 44 9.377 9.377 8.976 0.401 18415 1010 1 2 . 1 1 45 45 ALA N N 45 119.910 119.910 122.589 -2.679 18415 1011 1 2 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.124 -0.074 18415 1012 1 2 . 1 1 45 45 ALA C C 45 180.096 180.096 179.455 0.641 18415 1013 1 2 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.786 0.394 18415 1014 1 2 . 1 1 45 45 ALA CB C 45 18.267 18.267 17.961 0.306 18415 1015 1 2 . 1 1 45 45 ALA H H 45 8.328 8.328 8.410 -0.082 18415 1016 1 2 . 1 1 46 46 GLU N N 46 118.861 118.861 118.955 -0.094 18415 1017 1 2 . 1 1 46 46 GLU HA H 46 3.612 3.612 2.984 0.628 18415 1018 1 2 . 1 1 46 46 GLU C C 46 177.452 177.452 178.070 -0.618 18415 1019 1 2 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.002 0.282 18415 1020 1 2 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.198 1.315 18415 1021 1 2 . 1 1 46 46 GLU H H 46 7.852 7.852 7.681 0.171 18415 1022 1 2 . 1 1 47 47 GLN N N 47 119.473 119.473 119.268 0.205 18415 1023 1 2 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.803 -0.116 18415 1024 1 2 . 1 1 47 47 GLN C C 47 176.429 176.429 178.276 -1.847 18415 1025 1 2 . 1 1 47 47 GLN CA C 47 59.908 59.908 59.034 0.874 18415 1026 1 2 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.366 1.610 18415 1027 1 2 . 1 1 47 47 GLN H H 47 7.054 7.054 7.792 -0.738 18415 1028 1 2 . 1 1 48 48 ASN N N 48 115.182 115.182 117.653 -2.471 18415 1029 1 2 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.359 -0.146 18415 1030 1 2 . 1 1 48 48 ASN C C 48 176.986 176.986 176.996 -0.010 18415 1031 1 2 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.744 -0.715 18415 1032 1 2 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.223 -0.665 18415 1033 1 2 . 1 1 48 48 ASN H H 48 8.416 8.416 8.076 0.340 18415 1034 1 2 . 1 1 49 49 PHE N N 49 118.413 118.413 120.022 -1.609 18415 1035 1 2 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.221 -0.242 18415 1036 1 2 . 1 1 49 49 PHE C C 49 177.254 177.254 177.102 0.152 18415 1037 1 2 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.475 -0.313 18415 1038 1 2 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.276 -1.193 18415 1039 1 2 . 1 1 49 49 PHE H H 49 7.473 7.473 7.511 -0.038 18415 1040 1 2 . 1 1 50 50 ILE N N 50 117.601 117.601 122.110 -4.509 18415 1041 1 2 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.904 -0.363 18415 1042 1 2 . 1 1 50 50 ILE C C 50 176.891 176.891 176.760 0.131 18415 1043 1 2 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.900 -3.248 18415 1044 1 2 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.173 1.036 18415 1045 1 2 . 1 1 50 50 ILE H H 50 7.020 7.020 8.052 -1.032 18415 1046 1 2 . 1 1 51 51 ILE N N 51 114.824 114.824 115.332 -0.508 18415 1047 1 2 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.966 -0.073 18415 1048 1 2 . 1 1 51 51 ILE C C 51 177.092 177.092 176.467 0.625 18415 1049 1 2 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.569 1.635 18415 1050 1 2 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.253 0.667 18415 1051 1 2 . 1 1 51 51 ILE H H 51 7.216 7.216 7.404 -0.188 18415 1052 1 2 . 1 1 52 52 GLN N N 52 116.767 116.767 118.359 -1.592 18415 1053 1 2 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.847 -0.077 18415 1054 1 2 . 1 1 52 52 GLN C C 52 176.442 176.442 176.854 -0.412 18415 1055 1 2 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.602 -0.332 18415 1056 1 2 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.630 0.390 18415 1057 1 2 . 1 1 52 52 GLN H H 52 6.416 6.416 6.992 -0.576 18415 1058 1 2 . 1 1 53 53 PHE N N 53 115.400 115.400 115.862 -0.462 18415 1059 1 2 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.417 0.160 18415 1060 1 2 . 1 1 53 53 PHE C C 53 174.993 174.993 175.972 -0.979 18415 1061 1 2 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.108 -1.213 18415 1062 1 2 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.795 -0.262 18415 1063 1 2 . 1 1 53 53 PHE H H 53 7.216 7.216 6.908 0.308 18415 1064 1 2 . 1 1 54 54 LEU N N 54 118.096 118.096 120.585 -2.489 18415 1065 1 2 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.721 0.370 18415 1066 1 2 . 1 1 54 54 LEU C C 54 175.467 175.467 176.328 -0.861 18415 1067 1 2 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.295 -0.724 18415 1068 1 2 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.031 0.677 18415 1069 1 2 . 1 1 54 54 LEU H H 54 6.668 6.668 7.187 -0.519 18415 1070 1 2 . 1 1 55 55 ASP N N 55 123.723 123.723 123.440 0.283 18415 1071 1 2 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.656 0.159 18415 1072 1 2 . 1 1 55 55 ASP C C 55 177.896 177.896 177.238 0.658 18415 1073 1 2 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.398 -1.300 18415 1074 1 2 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.732 -0.070 18415 1075 1 2 . 1 1 55 55 ASP H H 55 8.687 8.687 8.568 0.119 18415 1076 1 2 . 1 1 56 56 ARG N N 56 124.370 124.370 125.337 -0.967 18415 1077 1 2 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.299 0.011 18415 1078 1 2 . 1 1 56 56 ARG C C 56 178.201 178.201 176.640 1.561 18415 1079 1 2 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.158 1.800 18415 1080 1 2 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.994 1.584 18415 1081 1 2 . 1 1 56 56 ARG H H 56 8.758 8.758 8.818 -0.060 18415 1082 1 2 . 1 1 57 57 ARG N N 57 120.411 120.411 117.011 3.400 18415 1083 1 2 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.392 -0.098 18415 1084 1 2 . 1 1 57 57 ARG C C 57 177.064 177.064 175.406 1.658 18415 1085 1 2 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.559 0.973 18415 1086 1 2 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.019 -1.327 18415 1087 1 2 . 1 1 57 57 ARG H H 57 9.150 9.150 8.424 0.726 18415 1088 1 2 . 1 1 58 58 LEU N N 58 119.445 119.445 121.153 -1.708 18415 1089 1 2 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.572 0.132 18415 1090 1 2 . 1 1 58 58 LEU C C 58 176.450 176.450 175.332 1.118 18415 1091 1 2 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.657 0.622 18415 1092 1 2 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.625 -0.367 18415 1093 1 2 . 1 1 58 58 LEU H H 58 8.328 8.328 7.854 0.474 18415 1094 1 2 . 1 1 59 59 SER N N 59 116.536 116.536 114.295 2.241 18415 1095 1 2 . 1 1 59 59 SER HA H 59 5.505 5.505 5.235 0.270 18415 1096 1 2 . 1 1 59 59 SER C C 59 173.263 173.263 173.110 0.153 18415 1097 1 2 . 1 1 59 59 SER CA C 59 57.199 57.199 57.119 0.080 18415 1098 1 2 . 1 1 59 59 SER CB C 59 65.064 65.064 64.927 0.137 18415 1099 1 2 . 1 1 59 59 SER H H 59 8.470 8.470 8.484 -0.014 18415 1100 1 2 . 1 1 60 60 TYR N N 60 120.274 120.274 123.766 -3.492 18415 1101 1 2 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.903 -0.626 18415 1102 1 2 . 1 1 60 60 TYR C C 60 175.560 175.560 175.951 -0.391 18415 1103 1 2 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.985 -0.513 18415 1104 1 2 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.424 2.083 18415 1105 1 2 . 1 1 60 60 TYR H H 60 8.897 8.897 9.230 -0.333 18415 1106 1 2 . 1 1 61 61 PHE N N 61 123.635 123.635 122.188 1.447 18415 1107 1 2 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.483 0.805 18415 1108 1 2 . 1 1 61 61 PHE C C 61 175.433 175.433 175.331 0.102 18415 1109 1 2 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.025 0.050 18415 1110 1 2 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.540 1.329 18415 1111 1 2 . 1 1 61 61 PHE H H 61 9.521 9.521 8.950 0.571 18415 1112 1 2 . 1 1 62 62 LEU N N 62 114.382 114.382 120.327 -5.945 18415 1113 1 2 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.743 0.330 18415 1114 1 2 . 1 1 62 62 LEU C C 62 179.521 179.521 177.888 1.633 18415 1115 1 2 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.066 -1.282 18415 1116 1 2 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.152 2.124 18415 1117 1 2 . 1 1 62 62 LEU H H 62 8.394 8.394 8.687 -0.293 18415 1118 1 2 . 1 1 63 63 GLY N N 63 106.675 106.675 108.330 -1.655 18415 1119 1 2 . 1 1 63 63 GLY C C 63 172.404 172.404 174.249 -1.845 18415 1120 1 2 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.143 2.250 18415 1121 1 2 . 1 1 63 63 GLY H H 63 9.253 9.253 8.513 0.740 18415 1122 1 2 . 1 1 64 64 LEU N N 64 124.754 124.754 121.113 3.641 18415 1123 1 2 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.240 0.344 18415 1124 1 2 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.809 -0.507 18415 1125 1 2 . 1 1 64 64 LEU CB C 64 43.272 43.272 40.414 2.858 18415 1126 1 2 . 1 1 64 64 LEU H H 64 6.840 6.840 7.623 -0.783 18415 1127 1 2 . 1 1 65 65 ARG N N 65 124.476 124.476 125.121 -0.645 18415 1128 1 2 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.086 1.074 18415 1129 1 2 . 1 1 65 65 ARG C C 65 174.245 174.245 174.050 0.195 18415 1130 1 2 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.389 0.515 18415 1131 1 2 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.724 1.807 18415 1132 1 2 . 1 1 65 65 ARG H H 65 8.218 8.218 8.982 -0.764 18415 1133 1 2 . 1 1 66 66 ASP N N 66 126.754 126.754 126.426 0.328 18415 1134 1 2 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.698 -0.269 18415 1135 1 2 . 1 1 66 66 ASP C C 66 176.516 176.516 174.848 1.668 18415 1136 1 2 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.899 -1.045 18415 1137 1 2 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.641 -2.873 18415 1138 1 2 . 1 1 66 66 ASP H H 66 8.756 8.756 7.789 0.967 18415 1139 1 2 . 1 1 67 67 GLU N N 67 123.390 123.390 125.828 -2.438 18415 1140 1 2 . 1 1 67 67 GLU HA H 67 3.776 3.776 3.942 -0.166 18415 1141 1 2 . 1 1 67 67 GLU C C 67 175.648 175.648 177.410 -1.762 18415 1142 1 2 . 1 1 67 67 GLU CA C 67 58.848 58.848 59.297 -0.449 18415 1143 1 2 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.252 1.064 18415 1144 1 2 . 1 1 67 67 GLU H H 67 8.488 8.488 8.449 0.039 18415 1145 1 2 . 1 1 68 68 ASN N N 68 114.882 114.882 117.908 -3.026 18415 1146 1 2 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.553 0.111 18415 1147 1 2 . 1 1 68 68 ASN C C 68 174.482 174.482 174.379 0.103 18415 1148 1 2 . 1 1 68 68 ASN CA C 68 52.914 52.914 52.136 0.778 18415 1149 1 2 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.761 1.651 18415 1150 1 2 . 1 1 68 68 ASN H H 68 8.336 8.336 8.441 -0.105 18415 1151 1 2 . 1 1 69 69 ALA N N 69 118.915 118.915 120.056 -1.141 18415 1152 1 2 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.109 -0.235 18415 1153 1 2 . 1 1 69 69 ALA C C 69 177.082 177.082 177.441 -0.359 18415 1154 1 2 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.979 0.653 18415 1155 1 2 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.502 0.669 18415 1156 1 2 . 1 1 69 69 ALA H H 69 7.444 7.444 7.415 0.029 18415 1157 1 2 . 1 1 70 70 LYS N N 70 117.439 117.439 120.033 -2.594 18415 1158 1 2 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.288 0.030 18415 1159 1 2 . 1 1 70 70 LYS C C 70 177.726 177.726 178.251 -0.525 18415 1160 1 2 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.486 -1.063 18415 1161 1 2 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.022 -0.286 18415 1162 1 2 . 1 1 70 70 LYS H H 70 7.925 7.925 8.818 -0.893 18415 1163 1 2 . 1 1 71 71 GLY C C 71 175.127 175.127 173.792 1.335 18415 1164 1 2 . 1 1 71 71 GLY CA C 71 45.674 45.674 46.025 -0.351 18415 1165 1 2 . 1 1 72 72 GLN N N 72 124.084 124.084 122.159 1.925 18415 1166 1 2 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.390 0.001 18415 1167 1 2 . 1 1 72 72 GLN C C 72 174.283 174.283 175.603 -1.320 18415 1168 1 2 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.874 -0.717 18415 1169 1 2 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.918 -0.285 18415 1170 1 2 . 1 1 72 72 GLN H H 72 7.749 7.749 7.658 0.091 18415 1171 1 2 . 1 1 73 73 TRP N N 73 121.803 121.803 126.201 -4.398 18415 1172 1 2 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.315 -0.410 18415 1173 1 2 . 1 1 73 73 TRP C C 73 175.776 175.776 176.048 -0.272 18415 1174 1 2 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.898 -2.077 18415 1175 1 2 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.596 -0.720 18415 1176 1 2 . 1 1 73 73 TRP H H 73 6.599 6.599 8.132 -1.533 18415 1177 1 2 . 1 1 74 74 ARG N N 74 119.549 119.549 121.966 -2.417 18415 1178 1 2 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.895 -0.189 18415 1179 1 2 . 1 1 74 74 ARG C C 74 176.980 176.980 175.544 1.436 18415 1180 1 2 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.468 -0.134 18415 1181 1 2 . 1 1 74 74 ARG CB C 74 34.623 34.623 33.530 1.093 18415 1182 1 2 . 1 1 74 74 ARG H H 74 8.443 8.443 8.357 0.086 18415 1183 1 2 . 1 1 75 75 TRP N N 75 125.690 125.690 129.477 -3.787 18415 1184 1 2 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.218 0.209 18415 1185 1 2 . 1 1 75 75 TRP C C 75 180.474 180.474 177.543 2.931 18415 1186 1 2 . 1 1 75 75 TRP CA C 75 55.766 55.766 58.074 -2.308 18415 1187 1 2 . 1 1 75 75 TRP CB C 75 31.030 31.030 28.540 2.490 18415 1188 1 2 . 1 1 75 75 TRP H H 75 9.052 9.052 9.550 -0.498 18415 1189 1 2 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.946 0.332 18415 1190 1 2 . 1 1 76 76 VAL C C 76 175.431 175.431 176.043 -0.612 18415 1191 1 2 . 1 1 76 76 VAL CA C 76 64.564 64.564 66.860 -2.296 18415 1192 1 2 . 1 1 76 76 VAL CB C 76 32.369 32.369 30.642 1.727 18415 1193 1 2 . 1 1 77 77 ASP N N 77 119.941 119.941 120.131 -0.190 18415 1194 1 2 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.638 -0.660 18415 1195 1 2 . 1 1 77 77 ASP C C 77 176.293 176.293 176.879 -0.586 18415 1196 1 2 . 1 1 77 77 ASP CA C 77 52.759 52.759 56.216 -3.457 18415 1197 1 2 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.499 -1.089 18415 1198 1 2 . 1 1 77 77 ASP H H 77 8.004 8.004 8.507 -0.503 18415 1199 1 2 . 1 1 78 78 GLN N N 78 109.962 109.962 115.651 -5.689 18415 1200 1 2 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.605 -0.480 18415 1201 1 2 . 1 1 78 78 GLN C C 78 176.387 176.387 176.288 0.099 18415 1202 1 2 . 1 1 78 78 GLN CA C 78 57.792 57.792 56.196 1.596 18415 1203 1 2 . 1 1 78 78 GLN CB C 78 26.101 26.101 29.914 -3.813 18415 1204 1 2 . 1 1 78 78 GLN H H 78 8.124 8.124 8.332 -0.208 18415 1205 1 2 . 1 1 79 79 THR N N 79 121.656 121.656 120.688 0.968 18415 1206 1 2 . 1 1 79 79 THR HA H 79 4.250 4.250 4.456 -0.206 18415 1207 1 2 . 1 1 79 79 THR C C 79 172.901 172.901 172.524 0.377 18415 1208 1 2 . 1 1 79 79 THR CA C 79 63.165 63.165 62.350 0.815 18415 1209 1 2 . 1 1 79 79 THR CB C 79 69.427 69.427 68.968 0.459 18415 1210 1 2 . 1 1 79 79 THR H H 79 8.172 8.172 7.957 0.215 18415 1211 1 2 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.702 -0.180 18415 1212 1 2 . 1 1 80 80 PRO C C 80 176.940 176.940 176.547 0.393 18415 1213 1 2 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.831 0.857 18415 1214 1 2 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.600 -0.413 18415 1215 1 2 . 1 1 81 81 PHE N N 81 125.403 125.403 120.918 4.485 18415 1216 1 2 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.858 0.051 18415 1217 1 2 . 1 1 81 81 PHE C C 81 174.853 174.853 174.512 0.341 18415 1218 1 2 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.113 -0.760 18415 1219 1 2 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.303 -0.284 18415 1220 1 2 . 1 1 81 81 PHE H H 81 9.015 9.015 8.370 0.645 18415 1221 1 2 . 1 1 82 82 ASN N N 82 129.264 129.264 122.679 6.585 18415 1222 1 2 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.991 0.064 18415 1223 1 2 . 1 1 82 82 ASN C C 82 173.643 173.643 172.806 0.837 18415 1224 1 2 . 1 1 82 82 ASN CA C 82 48.803 48.803 49.984 -1.181 18415 1225 1 2 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.543 -0.048 18415 1226 1 2 . 1 1 82 82 ASN H H 82 8.985 8.985 7.803 1.182 18415 1227 1 2 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.240 -0.237 18415 1228 1 2 . 1 1 83 83 PRO C C 83 177.123 177.123 176.935 0.188 18415 1229 1 2 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.673 -0.888 18415 1230 1 2 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.244 0.270 18415 1231 1 2 . 1 1 84 84 ARG N N 84 114.801 114.801 117.702 -2.901 18415 1232 1 2 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.058 0.265 18415 1233 1 2 . 1 1 84 84 ARG C C 84 176.890 176.890 176.542 0.348 18415 1234 1 2 . 1 1 84 84 ARG CA C 84 56.003 56.003 57.424 -1.421 18415 1235 1 2 . 1 1 84 84 ARG CB C 84 30.158 30.158 29.759 0.399 18415 1236 1 2 . 1 1 84 84 ARG H H 84 7.697 7.697 7.997 -0.300 18415 1237 1 2 . 1 1 85 85 ARG N N 85 123.958 123.958 119.891 4.067 18415 1238 1 2 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.775 0.530 18415 1239 1 2 . 1 1 85 85 ARG C C 85 173.017 173.017 174.659 -1.642 18415 1240 1 2 . 1 1 85 85 ARG CA C 85 53.809 53.809 56.139 -2.330 18415 1241 1 2 . 1 1 85 85 ARG CB C 85 30.040 30.040 28.782 1.258 18415 1242 1 2 . 1 1 85 85 ARG H H 85 7.596 7.596 8.005 -0.409 18415 1243 1 2 . 1 1 86 86 VAL N N 86 110.039 110.039 121.689 -11.650 18415 1244 1 2 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.325 0.474 18415 1245 1 2 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.183 -2.917 18415 1246 1 2 . 1 1 86 86 VAL CB C 86 34.226 34.226 33.489 0.737 18415 1247 1 2 . 1 1 86 86 VAL H H 86 6.570 6.570 6.885 -0.315 18415 1248 1 2 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.499 -0.177 18415 1249 1 2 . 1 1 87 87 PHE C C 87 173.471 173.471 174.966 -1.495 18415 1250 1 2 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.486 -0.109 18415 1251 1 2 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.931 -1.547 18415 1252 1 2 . 1 1 88 88 TRP N N 88 118.538 118.538 121.167 -2.629 18415 1253 1 2 . 1 1 88 88 TRP HA H 88 4.802 4.802 5.006 -0.204 18415 1254 1 2 . 1 1 88 88 TRP C C 88 179.297 179.297 177.848 1.449 18415 1255 1 2 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.983 -0.746 18415 1256 1 2 . 1 1 88 88 TRP CB C 88 31.550 31.550 29.845 1.705 18415 1257 1 2 . 1 1 88 88 TRP H H 88 6.633 6.633 8.021 -1.388 18415 1258 1 2 . 1 1 89 89 HIS N N 89 122.693 122.693 120.107 2.586 18415 1259 1 2 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.411 -0.040 18415 1260 1 2 . 1 1 89 89 HIS C C 89 175.621 175.621 176.230 -0.609 18415 1261 1 2 . 1 1 89 89 HIS CA C 89 58.121 58.121 59.389 -1.268 18415 1262 1 2 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.688 2.024 18415 1263 1 2 . 1 1 89 89 HIS H H 89 9.473 9.473 8.830 0.643 18415 1264 1 2 . 1 1 90 90 LYS N N 90 120.826 120.826 115.410 5.416 18415 1265 1 2 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.164 -0.053 18415 1266 1 2 . 1 1 90 90 LYS C C 90 177.228 177.228 175.771 1.457 18415 1267 1 2 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.893 0.349 18415 1268 1 2 . 1 1 90 90 LYS CB C 90 32.482 32.482 30.283 2.199 18415 1269 1 2 . 1 1 90 90 LYS H H 90 8.741 8.741 9.344 -0.603 18415 1270 1 2 . 1 1 91 91 ASN N N 91 117.166 117.166 116.351 0.815 18415 1271 1 2 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.805 -0.489 18415 1272 1 2 . 1 1 91 91 ASN C C 91 173.391 173.391 174.882 -1.491 18415 1273 1 2 . 1 1 91 91 ASN CA C 91 55.335 55.335 52.352 2.983 18415 1274 1 2 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.733 -1.348 18415 1275 1 2 . 1 1 91 91 ASN H H 91 8.906 8.906 8.327 0.579 18415 1276 1 2 . 1 1 92 92 GLU N N 92 116.991 116.991 121.420 -4.429 18415 1277 1 2 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.420 -0.133 18415 1278 1 2 . 1 1 92 92 GLU C C 92 173.188 173.188 175.767 -2.579 18415 1279 1 2 . 1 1 92 92 GLU CA C 92 53.271 53.271 55.198 -1.927 18415 1280 1 2 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.631 0.823 18415 1281 1 2 . 1 1 92 92 GLU H H 92 7.738 7.738 8.185 -0.447 18415 1282 1 2 . 1 1 95 95 ASN HA H 95 4.644 4.644 5.105 -0.461 18415 1283 1 2 . 1 1 95 95 ASN C C 95 175.699 175.699 175.444 0.255 18415 1284 1 2 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.311 0.148 18415 1285 1 2 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.418 -0.693 18415 1286 1 2 . 1 1 96 96 SER N N 96 116.489 116.489 118.313 -1.824 18415 1287 1 2 . 1 1 96 96 SER HA H 96 4.405 4.405 4.402 0.003 18415 1288 1 2 . 1 1 96 96 SER C C 96 174.831 174.831 174.644 0.187 18415 1289 1 2 . 1 1 96 96 SER CA C 96 58.753 58.753 58.003 0.750 18415 1290 1 2 . 1 1 96 96 SER CB C 96 64.216 64.216 63.729 0.487 18415 1291 1 2 . 1 1 96 96 SER H H 96 8.118 8.118 8.291 -0.173 18415 1292 1 2 . 1 1 97 97 GLN N N 97 121.023 121.023 124.909 -3.886 18415 1293 1 2 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.325 -0.073 18415 1294 1 2 . 1 1 97 97 GLN C C 97 176.063 176.063 175.776 0.287 18415 1295 1 2 . 1 1 97 97 GLN CA C 97 55.957 55.957 54.969 0.988 18415 1296 1 2 . 1 1 97 97 GLN CB C 97 29.528 29.528 28.636 0.892 18415 1297 1 2 . 1 1 97 97 GLN H H 97 8.371 8.371 8.359 0.012 18415 1298 1 2 . 1 1 98 98 GLY N N 98 110.498 110.498 108.353 2.145 18415 1299 1 2 . 1 1 98 98 GLY C C 98 172.460 172.460 173.153 -0.693 18415 1300 1 2 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.069 -0.133 18415 1301 1 2 . 1 1 98 98 GLY H H 98 8.080 8.080 7.386 0.694 18415 1302 1 2 . 1 1 99 99 GLU N N 99 119.919 119.919 123.290 -3.371 18415 1303 1 2 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.773 0.498 18415 1304 1 2 . 1 1 99 99 GLU C C 99 176.605 176.605 174.303 2.302 18415 1305 1 2 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.867 -0.359 18415 1306 1 2 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.934 1.534 18415 1307 1 2 . 1 1 99 99 GLU H H 99 8.004 8.004 8.864 -0.860 18415 1308 1 2 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.162 0.118 18415 1309 1 2 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.156 1.225 18415 1310 1 2 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.226 1.691 18415 1311 1 2 . 1 1 101 101 CYS N N 101 121.118 121.118 121.294 -0.176 18415 1312 1 2 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.222 0.268 18415 1313 1 2 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.581 0.757 18415 1314 1 2 . 1 1 101 101 CYS CB C 101 43.778 43.778 31.715 12.063 18415 1315 1 2 . 1 1 101 101 CYS H H 101 9.707 9.707 9.214 0.493 18415 1316 1 2 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.570 -0.384 18415 1317 1 2 . 1 1 102 102 VAL C C 102 175.530 175.530 174.176 1.354 18415 1318 1 2 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.691 3.342 18415 1319 1 2 . 1 1 102 102 VAL CB C 102 35.154 35.154 34.578 0.576 18415 1320 1 2 . 1 1 103 103 VAL N N 103 115.890 115.890 121.203 -5.313 18415 1321 1 2 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.859 0.489 18415 1322 1 2 . 1 1 103 103 VAL C C 103 175.136 175.136 174.151 0.985 18415 1323 1 2 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.892 -1.155 18415 1324 1 2 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.258 -0.124 18415 1325 1 2 . 1 1 103 103 VAL H H 103 8.698 8.698 8.809 -0.111 18415 1326 1 2 . 1 1 104 104 LEU N N 104 124.477 124.477 123.348 1.129 18415 1327 1 2 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.018 -0.042 18415 1328 1 2 . 1 1 104 104 LEU C C 104 176.248 176.248 176.050 0.198 18415 1329 1 2 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.482 0.511 18415 1330 1 2 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.248 2.595 18415 1331 1 2 . 1 1 104 104 LEU H H 104 9.453 9.453 8.988 0.465 18415 1332 1 2 . 1 1 105 105 VAL N N 105 123.109 123.109 124.166 -1.057 18415 1333 1 2 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.678 0.337 18415 1334 1 2 . 1 1 105 105 VAL C C 105 173.635 173.635 173.702 -0.067 18415 1335 1 2 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.184 2.050 18415 1336 1 2 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.059 0.575 18415 1337 1 2 . 1 1 105 105 VAL H H 105 9.477 9.477 8.592 0.885 18415 1338 1 2 . 1 1 106 106 TYR N N 106 136.491 136.491 128.861 7.630 18415 1339 1 2 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.109 0.356 18415 1340 1 2 . 1 1 106 106 TYR C C 106 175.009 175.009 173.741 1.268 18415 1341 1 2 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.926 -0.877 18415 1342 1 2 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.229 0.722 18415 1343 1 2 . 1 1 106 106 TYR H H 106 9.509 9.509 8.306 1.203 18415 1344 1 2 . 1 1 107 107 ASN N N 107 124.433 124.433 124.722 -0.289 18415 1345 1 2 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.552 -0.002 18415 1346 1 2 . 1 1 107 107 ASN C C 107 173.919 173.919 174.461 -0.542 18415 1347 1 2 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.235 -0.626 18415 1348 1 2 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.888 0.122 18415 1349 1 2 . 1 1 107 107 ASN H H 107 8.329 8.329 8.420 -0.091 18415 1350 1 2 . 1 1 108 108 GLN N N 108 119.681 119.681 121.065 -1.384 18415 1351 1 2 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.889 -0.235 18415 1352 1 2 . 1 1 108 108 GLN C C 108 175.060 175.060 174.563 0.497 18415 1353 1 2 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.877 0.729 18415 1354 1 2 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.646 -1.382 18415 1355 1 2 . 1 1 108 108 GLN H H 108 8.558 8.558 8.947 -0.389 18415 1356 1 2 . 1 1 109 109 ASP N N 109 109.712 109.712 113.620 -3.908 18415 1357 1 2 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.550 0.427 18415 1358 1 2 . 1 1 109 109 ASP C C 109 174.354 174.354 174.342 0.012 18415 1359 1 2 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.091 0.108 18415 1360 1 2 . 1 1 109 109 ASP CB C 109 40.026 40.026 39.269 0.757 18415 1361 1 2 . 1 1 109 109 ASP H H 109 8.199 8.199 8.480 -0.281 18415 1362 1 2 . 1 1 110 110 LYS N N 110 115.590 115.590 113.309 2.281 18415 1363 1 2 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.661 -0.109 18415 1364 1 2 . 1 1 110 110 LYS C C 110 174.674 174.674 174.558 0.116 18415 1365 1 2 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.164 1.305 18415 1366 1 2 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.147 0.442 18415 1367 1 2 . 1 1 110 110 LYS H H 110 7.081 7.081 6.789 0.292 18415 1368 1 2 . 1 1 111 111 TRP N N 111 122.248 122.248 122.610 -0.362 18415 1369 1 2 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.176 -0.103 18415 1370 1 2 . 1 1 111 111 TRP C C 111 175.920 175.920 175.795 0.125 18415 1371 1 2 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.332 -0.143 18415 1372 1 2 . 1 1 111 111 TRP CB C 111 30.869 30.869 28.674 2.195 18415 1373 1 2 . 1 1 111 111 TRP H H 111 8.650 8.650 8.754 -0.104 18415 1374 1 2 . 1 1 112 112 ALA N N 112 124.184 124.184 125.027 -0.843 18415 1375 1 2 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.724 -0.556 18415 1376 1 2 . 1 1 112 112 ALA C C 112 174.995 174.995 175.692 -0.697 18415 1377 1 2 . 1 1 112 112 ALA CA C 112 52.315 52.315 50.601 1.714 18415 1378 1 2 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.695 -4.812 18415 1379 1 2 . 1 1 112 112 ALA H H 112 8.790 8.790 8.545 0.245 18415 1380 1 2 . 1 1 113 113 TRP N N 113 118.725 118.725 120.259 -1.534 18415 1381 1 2 . 1 1 113 113 TRP HA H 113 6.156 6.156 4.971 1.185 18415 1382 1 2 . 1 1 113 113 TRP C C 113 177.471 177.471 176.162 1.309 18415 1383 1 2 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.615 -1.000 18415 1384 1 2 . 1 1 113 113 TRP CB C 113 32.374 32.374 28.950 3.424 18415 1385 1 2 . 1 1 113 113 TRP H H 113 8.969 8.969 8.686 0.283 18415 1386 1 2 . 1 1 114 114 ASN N N 114 120.479 120.479 120.023 0.456 18415 1387 1 2 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.636 -0.146 18415 1388 1 2 . 1 1 114 114 ASN C C 114 174.708 174.708 173.528 1.180 18415 1389 1 2 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.771 -0.013 18415 1390 1 2 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.794 -0.776 18415 1391 1 2 . 1 1 114 114 ASN H H 114 9.518 9.518 8.744 0.774 18415 1392 1 2 . 1 1 115 115 ASP N N 115 118.209 118.209 125.357 -7.148 18415 1393 1 2 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.286 0.585 18415 1394 1 2 . 1 1 115 115 ASP C C 115 174.291 174.291 175.875 -1.584 18415 1395 1 2 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.133 -1.946 18415 1396 1 2 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.398 -0.894 18415 1397 1 2 . 1 1 115 115 ASP H H 115 8.563 8.563 8.802 -0.239 18415 1398 1 2 . 1 1 116 116 VAL N N 116 118.669 118.669 118.562 0.107 18415 1399 1 2 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.761 0.134 18415 1400 1 2 . 1 1 116 116 VAL C C 116 172.334 172.334 173.743 -1.409 18415 1401 1 2 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.951 0.330 18415 1402 1 2 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.965 -0.632 18415 1403 1 2 . 1 1 116 116 VAL H H 116 9.369 9.369 9.090 0.279 18415 1404 1 2 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.067 -0.133 18415 1405 1 2 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.447 0.630 18415 1406 1 2 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.874 0.485 18415 1407 1 2 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.579 -0.129 18415 1408 1 2 . 1 1 118 118 CYS C C 118 175.583 175.583 175.782 -0.199 18415 1409 1 2 . 1 1 118 118 CYS CA C 118 58.904 58.904 61.386 -2.482 18415 1410 1 2 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.759 17.082 18415 1411 1 2 . 1 1 119 119 ASN N N 119 117.251 117.251 116.661 0.590 18415 1412 1 2 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.638 0.275 18415 1413 1 2 . 1 1 119 119 ASN C C 119 174.849 174.849 174.443 0.406 18415 1414 1 2 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.032 0.110 18415 1415 1 2 . 1 1 119 119 ASN CB C 119 37.076 37.076 37.708 -0.632 18415 1416 1 2 . 1 1 119 119 ASN H H 119 8.411 8.411 8.357 0.054 18415 1417 1 2 . 1 1 120 120 PHE N N 120 123.415 123.415 121.635 1.780 18415 1418 1 2 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.710 -0.164 18415 1419 1 2 . 1 1 120 120 PHE C C 120 173.156 173.156 174.727 -1.571 18415 1420 1 2 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.550 1.810 18415 1421 1 2 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.363 -0.914 18415 1422 1 2 . 1 1 120 120 PHE H H 120 8.097 8.097 7.899 0.198 18415 1423 1 2 . 1 1 121 121 GLU N N 121 119.143 119.143 126.859 -7.716 18415 1424 1 2 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.370 0.183 18415 1425 1 2 . 1 1 121 121 GLU C C 121 174.732 174.732 174.716 0.016 18415 1426 1 2 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.002 -2.414 18415 1427 1 2 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.252 1.169 18415 1428 1 2 . 1 1 121 121 GLU H H 121 7.012 7.012 8.498 -1.486 18415 1429 1 2 . 1 1 122 122 ALA N N 122 125.793 125.793 128.264 -2.471 18415 1430 1 2 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.737 -0.266 18415 1431 1 2 . 1 1 122 122 ALA C C 122 177.616 177.616 176.640 0.976 18415 1432 1 2 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.539 0.704 18415 1433 1 2 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.850 -2.248 18415 1434 1 2 . 1 1 122 122 ALA H H 122 8.441 8.441 8.910 -0.469 18415 1435 1 2 . 1 1 123 123 SER N N 123 115.420 115.420 115.141 0.279 18415 1436 1 2 . 1 1 123 123 SER HA H 123 4.522 4.522 5.289 -0.767 18415 1437 1 2 . 1 1 123 123 SER C C 123 172.514 172.514 174.942 -2.428 18415 1438 1 2 . 1 1 123 123 SER CA C 123 60.661 60.661 57.996 2.665 18415 1439 1 2 . 1 1 123 123 SER CB C 123 62.943 62.943 63.553 -0.610 18415 1440 1 2 . 1 1 123 123 SER H H 123 7.716 7.716 8.157 -0.441 18415 1441 1 2 . 1 1 124 124 ARG N N 124 112.529 112.529 120.331 -7.802 18415 1442 1 2 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.855 0.635 18415 1443 1 2 . 1 1 124 124 ARG C C 124 173.779 173.779 174.476 -0.697 18415 1444 1 2 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.204 0.735 18415 1445 1 2 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.066 -2.141 18415 1446 1 2 . 1 1 124 124 ARG H H 124 8.840 8.840 8.190 0.650 18415 1447 1 2 . 1 1 125 125 ILE N N 125 116.525 116.525 121.132 -4.607 18415 1448 1 2 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.839 -0.121 18415 1449 1 2 . 1 1 125 125 ILE C C 125 175.656 175.656 174.677 0.979 18415 1450 1 2 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.852 0.984 18415 1451 1 2 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.911 0.647 18415 1452 1 2 . 1 1 125 125 ILE H H 125 6.989 6.989 8.572 -1.583 18415 1453 1 2 . 1 1 126 126 CYS N N 126 123.910 123.910 126.859 -2.949 18415 1454 1 2 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.209 0.361 18415 1455 1 2 . 1 1 126 126 CYS C C 126 173.662 173.662 173.801 -0.139 18415 1456 1 2 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.696 -5.856 18415 1457 1 2 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.383 10.758 18415 1458 1 2 . 1 1 126 126 CYS H H 126 8.288 8.288 8.902 -0.614 18415 1459 1 2 . 1 1 127 127 LYS N N 127 124.170 124.170 124.856 -0.686 18415 1460 1 2 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.553 0.066 18415 1461 1 2 . 1 1 127 127 LYS C C 127 174.637 174.637 174.745 -0.108 18415 1462 1 2 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.253 0.982 18415 1463 1 2 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.405 3.113 18415 1464 1 2 . 1 1 127 127 LYS H H 127 9.681 9.681 9.577 0.104 18415 1465 1 2 . 1 1 128 128 ILE N N 128 129.226 129.226 122.499 6.727 18415 1466 1 2 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.799 0.101 18415 1467 1 2 . 1 1 128 128 ILE C C 128 172.463 172.463 172.931 -0.468 18415 1468 1 2 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.466 0.918 18415 1469 1 2 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.166 1.722 18415 1470 1 2 . 1 1 128 128 ILE H H 128 9.205 9.205 8.998 0.207 18415 1471 1 2 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.604 0.387 18415 1472 1 2 . 1 1 129 129 PRO C C 129 177.954 177.954 177.407 0.547 18415 1473 1 2 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.883 -0.259 18415 1474 1 2 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.123 0.378 18415 1475 1 2 . 1 1 130 130 GLY N N 130 110.745 110.745 107.650 3.095 18415 1476 1 2 . 1 1 130 130 GLY C C 130 175.022 175.022 175.539 -0.517 18415 1477 1 2 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.046 1.210 18415 1478 1 2 . 1 1 130 130 GLY H H 130 8.673 8.673 8.448 0.225 18415 1479 1 2 . 1 1 131 131 THR N N 131 112.246 112.246 114.113 -1.867 18415 1480 1 2 . 1 1 131 131 THR HA H 131 4.427 4.427 4.024 0.403 18415 1481 1 2 . 1 1 131 131 THR C C 131 175.259 175.259 176.015 -0.756 18415 1482 1 2 . 1 1 131 131 THR CA C 131 61.500 61.500 65.179 -3.679 18415 1483 1 2 . 1 1 131 131 THR CB C 131 69.998 69.998 68.888 1.110 18415 1484 1 2 . 1 1 131 131 THR H H 131 7.870 7.870 8.343 -0.473 18415 1485 1 2 . 1 1 132 132 THR N N 132 116.455 116.455 117.354 -0.899 18415 1486 1 2 . 1 1 132 132 THR HA H 132 4.281 4.281 4.123 0.158 18415 1487 1 2 . 1 1 132 132 THR C C 132 174.867 174.867 174.934 -0.067 18415 1488 1 2 . 1 1 132 132 THR CA C 132 62.453 62.453 65.772 -3.319 18415 1489 1 2 . 1 1 132 132 THR CB C 132 69.868 69.868 68.039 1.829 18415 1490 1 2 . 1 1 132 132 THR H H 132 8.120 8.120 8.232 -0.112 18415 1491 1 2 . 1 1 133 133 LEU N N 133 124.001 124.001 119.252 4.749 18415 1492 1 2 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.137 0.125 18415 1493 1 2 . 1 1 133 133 LEU C C 133 177.365 177.365 178.197 -0.832 18415 1494 1 2 . 1 1 133 133 LEU CA C 133 55.747 55.747 57.279 -1.532 18415 1495 1 2 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.723 0.599 18415 1496 1 2 . 1 1 133 133 LEU H H 133 8.117 8.117 7.350 0.767 18415 1497 1 2 . 1 1 134 134 ASN N N 134 119.222 119.222 116.453 2.769 18415 1498 1 2 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.612 0.009 18415 1499 1 2 . 1 1 134 134 ASN C C 134 175.725 175.725 176.251 -0.526 18415 1500 1 2 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.614 -0.989 18415 1501 1 2 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.283 -0.447 18415 1502 1 2 . 1 1 134 134 ASN H H 134 8.325 8.325 7.525 0.800 18415 1503 1 2 . 1 1 135 135 ALA N N 135 123.649 123.649 124.410 -0.761 18415 1504 1 2 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.616 -0.487 18415 1505 1 2 . 1 1 135 135 ALA C C 135 179.061 179.061 177.171 1.890 18415 1506 1 2 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.411 2.521 18415 1507 1 2 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.569 1.370 18415 1508 1 2 . 1 1 135 135 ALA H H 135 8.205 8.205 7.980 0.225 18415 1509 1 2 . 1 1 136 136 GLU N N 136 119.187 119.187 120.386 -1.199 18415 1510 1 2 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.208 -0.003 18415 1511 1 2 . 1 1 136 136 GLU C C 136 177.504 177.504 178.107 -0.603 18415 1512 1 2 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.394 -1.515 18415 1513 1 2 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.850 0.796 18415 1514 1 2 . 1 1 136 136 GLU H H 136 8.349 8.349 7.744 0.605 18415 1515 1 2 . 1 1 137 137 ASN N N 137 118.988 118.988 119.048 -0.060 18415 1516 1 2 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.625 0.012 18415 1517 1 2 . 1 1 137 137 ASN C C 137 176.785 176.785 177.683 -0.898 18415 1518 1 2 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.734 -1.260 18415 1519 1 2 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.096 0.613 18415 1520 1 2 . 1 1 137 137 ASN H H 137 8.259 8.259 8.372 -0.113 18415 1521 1 2 . 1 1 138 138 LEU N N 138 121.438 121.438 121.643 -0.205 18415 1522 1 2 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.060 0.075 18415 1523 1 2 . 1 1 138 138 LEU C C 138 178.872 178.872 178.236 0.636 18415 1524 1 2 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.843 -0.916 18415 1525 1 2 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.173 -0.172 18415 1526 1 2 . 1 1 138 138 LEU H H 138 8.084 8.084 7.810 0.274 18415 1527 1 2 . 1 1 139 139 TYR N N 139 120.558 120.558 117.644 2.914 18415 1528 1 2 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.224 0.062 18415 1529 1 2 . 1 1 139 139 TYR C C 139 177.587 177.587 177.836 -0.249 18415 1530 1 2 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.864 -0.719 18415 1531 1 2 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.807 -0.441 18415 1532 1 2 . 1 1 139 139 TYR H H 139 8.130 8.130 8.170 -0.040 18415 1533 1 2 . 1 1 140 140 PHE N N 140 120.508 120.508 120.454 0.054 18415 1534 1 2 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.206 0.149 18415 1535 1 2 . 1 1 140 140 PHE C C 140 177.425 177.425 176.516 0.909 18415 1536 1 2 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.869 -1.239 18415 1537 1 2 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.407 -0.155 18415 1538 1 2 . 1 1 140 140 PHE H H 140 8.275 8.275 8.026 0.249 18415 1539 1 2 . 1 1 141 141 GLN N N 141 119.274 119.274 117.295 1.979 18415 1540 1 2 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.215 -0.102 18415 1541 1 2 . 1 1 141 141 GLN C C 141 176.976 176.976 175.669 1.307 18415 1542 1 2 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.198 1.165 18415 1543 1 2 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.235 -0.207 18415 1544 1 2 . 1 1 141 141 GLN H H 141 8.250 8.250 7.766 0.484 18415 1545 1 3 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.417 -0.630 18415 1546 1 3 . 1 1 2 2 VAL C C 2 172.250 172.250 173.923 -1.673 18415 1547 1 3 . 1 1 2 2 VAL CA C 2 61.294 61.294 61.307 -0.013 18415 1548 1 3 . 1 1 2 2 VAL CB C 2 33.708 33.708 34.565 -0.857 18415 1549 1 3 . 1 1 3 3 CYS N N 3 121.988 121.988 123.937 -1.949 18415 1550 1 3 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.689 0.516 18415 1551 1 3 . 1 1 3 3 CYS C C 3 171.993 171.993 172.572 -0.579 18415 1552 1 3 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.253 -4.209 18415 1553 1 3 . 1 1 3 3 CYS CB C 3 39.461 39.461 28.581 10.880 18415 1554 1 3 . 1 1 3 3 CYS H H 3 8.628 8.628 8.374 0.254 18415 1555 1 3 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.859 -0.036 18415 1556 1 3 . 1 1 5 5 ILE C C 5 176.622 176.622 175.364 1.258 18415 1557 1 3 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.512 0.788 18415 1558 1 3 . 1 1 5 5 ILE CB C 5 38.044 38.044 36.015 2.029 18415 1559 1 3 . 1 1 6 6 ASP N N 6 117.894 117.894 126.102 -8.208 18415 1560 1 3 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.755 -0.411 18415 1561 1 3 . 1 1 6 6 ASP H H 6 8.606 8.606 8.554 0.052 18415 1562 1 3 . 1 1 7 7 TRP N N 7 120.564 120.564 123.124 -2.560 18415 1563 1 3 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.547 0.143 18415 1564 1 3 . 1 1 7 7 TRP C C 7 176.415 176.415 176.642 -0.227 18415 1565 1 3 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.721 -0.683 18415 1566 1 3 . 1 1 7 7 TRP CB C 7 28.771 28.771 28.768 0.003 18415 1567 1 3 . 1 1 7 7 TRP H H 7 8.208 8.208 7.984 0.224 18415 1568 1 3 . 1 1 8 8 ARG N N 8 119.872 119.872 124.603 -4.731 18415 1569 1 3 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.235 0.451 18415 1570 1 3 . 1 1 8 8 ARG C C 8 176.146 176.146 176.218 -0.072 18415 1571 1 3 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.321 -0.380 18415 1572 1 3 . 1 1 8 8 ARG CB C 8 31.563 31.563 28.215 3.348 18415 1573 1 3 . 1 1 8 8 ARG H H 8 9.456 9.456 8.879 0.577 18415 1574 1 3 . 1 1 9 9 ALA N N 9 127.265 127.265 129.159 -1.894 18415 1575 1 3 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.763 0.628 18415 1576 1 3 . 1 1 9 9 ALA C C 9 176.927 176.927 176.495 0.432 18415 1577 1 3 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.670 0.340 18415 1578 1 3 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.882 2.781 18415 1579 1 3 . 1 1 9 9 ALA H H 9 8.819 8.819 8.430 0.389 18415 1580 1 3 . 1 1 10 10 PHE N N 10 120.450 120.450 127.333 -6.883 18415 1581 1 3 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.776 -0.582 18415 1582 1 3 . 1 1 10 10 PHE C C 10 174.606 174.606 174.896 -0.290 18415 1583 1 3 . 1 1 10 10 PHE CA C 10 58.526 58.526 58.016 0.510 18415 1584 1 3 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.635 -0.774 18415 1585 1 3 . 1 1 10 10 PHE H H 10 8.202 8.202 9.186 -0.984 18415 1586 1 3 . 1 1 11 11 GLN N N 11 126.391 126.391 124.719 1.672 18415 1587 1 3 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.716 -0.255 18415 1588 1 3 . 1 1 11 11 GLN C C 11 175.859 175.859 175.015 0.844 18415 1589 1 3 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.312 -1.060 18415 1590 1 3 . 1 1 11 11 GLN CB C 11 25.962 25.962 26.882 -0.920 18415 1591 1 3 . 1 1 11 11 GLN H H 11 8.872 8.872 8.595 0.277 18415 1592 1 3 . 1 1 12 12 SER N N 12 113.087 113.087 115.158 -2.071 18415 1593 1 3 . 1 1 12 12 SER HA H 12 4.252 4.252 4.564 -0.312 18415 1594 1 3 . 1 1 12 12 SER C C 12 173.339 173.339 172.901 0.438 18415 1595 1 3 . 1 1 12 12 SER CA C 12 59.795 59.795 57.829 1.966 18415 1596 1 3 . 1 1 12 12 SER CB C 12 62.943 62.943 64.955 -2.012 18415 1597 1 3 . 1 1 12 12 SER H H 12 8.189 8.189 8.190 -0.001 18415 1598 1 3 . 1 1 13 13 ASN N N 13 118.336 118.336 119.268 -0.932 18415 1599 1 3 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.330 -0.074 18415 1600 1 3 . 1 1 13 13 ASN C C 13 174.330 174.330 172.876 1.454 18415 1601 1 3 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.243 0.099 18415 1602 1 3 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.848 0.610 18415 1603 1 3 . 1 1 13 13 ASN H H 13 8.242 8.242 7.867 0.375 18415 1604 1 3 . 1 1 14 14 CYS N N 14 118.315 118.315 118.231 0.084 18415 1605 1 3 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.247 0.614 18415 1606 1 3 . 1 1 14 14 CYS C C 14 174.314 174.314 173.390 0.924 18415 1607 1 3 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.904 -4.219 18415 1608 1 3 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.303 14.716 18415 1609 1 3 . 1 1 14 14 CYS H H 14 8.592 8.592 8.840 -0.248 18415 1610 1 3 . 1 1 15 15 TYR N N 15 121.588 121.588 121.925 -0.337 18415 1611 1 3 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.075 0.702 18415 1612 1 3 . 1 1 15 15 TYR C C 15 176.333 176.333 174.285 2.048 18415 1613 1 3 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.962 1.654 18415 1614 1 3 . 1 1 15 15 TYR CB C 15 44.583 44.583 40.799 3.784 18415 1615 1 3 . 1 1 15 15 TYR H H 15 9.947 9.947 9.220 0.727 18415 1616 1 3 . 1 1 16 16 PHE N N 16 121.989 121.989 123.943 -1.954 18415 1617 1 3 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.717 0.194 18415 1618 1 3 . 1 1 16 16 PHE C C 16 172.937 172.937 172.693 0.244 18415 1619 1 3 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.647 -0.249 18415 1620 1 3 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.865 -1.795 18415 1621 1 3 . 1 1 16 16 PHE H H 16 8.717 8.717 9.032 -0.315 18415 1622 1 3 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.694 0.422 18415 1623 1 3 . 1 1 17 17 PRO C C 17 175.445 175.445 175.125 0.320 18415 1624 1 3 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.750 -0.262 18415 1625 1 3 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.899 0.092 18415 1626 1 3 . 1 1 18 18 LEU N N 18 126.062 126.062 125.639 0.423 18415 1627 1 3 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.496 0.185 18415 1628 1 3 . 1 1 18 18 LEU C C 18 177.391 177.391 177.640 -0.249 18415 1629 1 3 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.957 1.403 18415 1630 1 3 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.726 1.756 18415 1631 1 3 . 1 1 18 18 LEU H H 18 9.054 9.054 9.008 0.046 18415 1632 1 3 . 1 1 19 19 THR N N 19 109.256 109.256 112.202 -2.946 18415 1633 1 3 . 1 1 19 19 THR HA H 19 4.612 4.612 4.311 0.301 18415 1634 1 3 . 1 1 19 19 THR C C 19 175.613 175.613 174.008 1.605 18415 1635 1 3 . 1 1 19 19 THR CA C 19 62.236 62.236 61.078 1.158 18415 1636 1 3 . 1 1 19 19 THR CB C 19 69.530 69.530 68.976 0.554 18415 1637 1 3 . 1 1 19 19 THR H H 19 8.303 8.303 8.608 -0.305 18415 1638 1 3 . 1 1 20 20 ASP N N 20 121.645 121.645 121.673 -0.028 18415 1639 1 3 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.569 -0.112 18415 1640 1 3 . 1 1 20 20 ASP C C 20 174.684 174.684 175.084 -0.400 18415 1641 1 3 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.185 -0.067 18415 1642 1 3 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.027 -1.958 18415 1643 1 3 . 1 1 20 20 ASP H H 20 8.834 8.834 7.837 0.997 18415 1644 1 3 . 1 1 21 21 ASN N N 21 118.648 118.648 118.422 0.226 18415 1645 1 3 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.766 -0.120 18415 1646 1 3 . 1 1 21 21 ASN C C 21 176.542 176.542 174.667 1.875 18415 1647 1 3 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.946 -0.494 18415 1648 1 3 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.315 0.139 18415 1649 1 3 . 1 1 21 21 ASN H H 21 8.113 8.113 8.456 -0.343 18415 1650 1 3 . 1 1 22 22 LYS N N 22 122.470 122.470 124.179 -1.709 18415 1651 1 3 . 1 1 22 22 LYS HA H 22 4.856 4.856 5.149 -0.293 18415 1652 1 3 . 1 1 22 22 LYS C C 22 176.711 176.711 176.303 0.408 18415 1653 1 3 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.552 1.113 18415 1654 1 3 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.306 2.233 18415 1655 1 3 . 1 1 22 22 LYS H H 22 8.794 8.794 8.792 0.002 18415 1656 1 3 . 1 1 23 23 THR N N 23 109.009 109.009 114.210 -5.201 18415 1657 1 3 . 1 1 23 23 THR HA H 23 5.647 5.647 4.745 0.902 18415 1658 1 3 . 1 1 23 23 THR C C 23 178.411 178.411 175.644 2.767 18415 1659 1 3 . 1 1 23 23 THR CA C 23 61.773 61.773 61.232 0.541 18415 1660 1 3 . 1 1 23 23 THR CB C 23 71.820 71.820 69.950 1.870 18415 1661 1 3 . 1 1 23 23 THR H H 23 8.250 8.250 9.014 -0.764 18415 1662 1 3 . 1 1 24 24 TRP N N 24 126.345 126.345 122.825 3.520 18415 1663 1 3 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.565 -0.535 18415 1664 1 3 . 1 1 24 24 TRP C C 24 178.204 178.204 176.951 1.253 18415 1665 1 3 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.380 2.201 18415 1666 1 3 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.274 1.380 18415 1667 1 3 . 1 1 24 24 TRP H H 24 8.279 8.279 8.557 -0.278 18415 1668 1 3 . 1 1 25 25 ALA N N 25 119.965 119.965 120.422 -0.457 18415 1669 1 3 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.984 -0.036 18415 1670 1 3 . 1 1 25 25 ALA C C 25 182.089 182.089 179.822 2.267 18415 1671 1 3 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.045 0.845 18415 1672 1 3 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.091 0.164 18415 1673 1 3 . 1 1 25 25 ALA H H 25 9.634 9.634 8.215 1.419 18415 1674 1 3 . 1 1 26 26 GLU N N 26 116.492 116.492 118.750 -2.258 18415 1675 1 3 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.972 0.091 18415 1676 1 3 . 1 1 26 26 GLU C C 26 179.756 179.756 179.136 0.620 18415 1677 1 3 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.161 -0.866 18415 1678 1 3 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.223 1.260 18415 1679 1 3 . 1 1 26 26 GLU H H 26 7.392 7.392 8.348 -0.956 18415 1680 1 3 . 1 1 27 27 SER N N 27 121.197 121.197 115.635 5.562 18415 1681 1 3 . 1 1 27 27 SER HA H 27 3.855 3.855 4.091 -0.236 18415 1682 1 3 . 1 1 27 27 SER C C 27 174.299 174.299 176.480 -2.181 18415 1683 1 3 . 1 1 27 27 SER CA C 27 63.344 63.344 62.344 1.000 18415 1684 1 3 . 1 1 27 27 SER CB C 27 62.329 62.329 62.753 -0.424 18415 1685 1 3 . 1 1 27 27 SER H H 27 8.596 8.596 8.423 0.173 18415 1686 1 3 . 1 1 28 28 GLU N N 28 124.173 124.173 120.128 4.045 18415 1687 1 3 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.015 0.253 18415 1688 1 3 . 1 1 28 28 GLU C C 28 178.856 178.856 178.736 0.120 18415 1689 1 3 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.986 0.213 18415 1690 1 3 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.029 -2.130 18415 1691 1 3 . 1 1 28 28 GLU H H 28 8.133 8.133 7.471 0.662 18415 1692 1 3 . 1 1 29 29 ARG N N 29 120.498 120.498 118.534 1.964 18415 1693 1 3 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.059 -0.016 18415 1694 1 3 . 1 1 29 29 ARG C C 29 179.339 179.339 177.814 1.525 18415 1695 1 3 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.166 0.525 18415 1696 1 3 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.298 -0.063 18415 1697 1 3 . 1 1 29 29 ARG H H 29 7.962 7.962 7.714 0.248 18415 1698 1 3 . 1 1 30 30 ASN N N 30 119.000 119.000 115.862 3.138 18415 1699 1 3 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.717 -0.270 18415 1700 1 3 . 1 1 30 30 ASN C C 30 178.153 178.153 175.717 2.436 18415 1701 1 3 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.418 3.232 18415 1702 1 3 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.926 0.510 18415 1703 1 3 . 1 1 30 30 ASN H H 30 7.960 7.960 7.695 0.265 18415 1704 1 3 . 1 1 31 31 CYS N N 31 116.301 116.301 116.745 -0.444 18415 1705 1 3 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.644 -0.163 18415 1706 1 3 . 1 1 31 31 CYS C C 31 178.072 178.072 175.762 2.310 18415 1707 1 3 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.168 -3.758 18415 1708 1 3 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.681 6.028 18415 1709 1 3 . 1 1 31 31 CYS H H 31 8.477 8.477 7.923 0.554 18415 1710 1 3 . 1 1 32 32 SER N N 32 119.834 119.834 115.114 4.720 18415 1711 1 3 . 1 1 32 32 SER HA H 32 4.700 4.700 3.994 0.706 18415 1712 1 3 . 1 1 32 32 SER C C 32 179.062 179.062 176.520 2.542 18415 1713 1 3 . 1 1 32 32 SER CA C 32 61.663 61.663 61.155 0.508 18415 1714 1 3 . 1 1 32 32 SER CB C 32 62.655 62.655 61.746 0.909 18415 1715 1 3 . 1 1 32 32 SER H H 32 9.206 9.206 8.762 0.444 18415 1716 1 3 . 1 1 33 33 GLY N N 33 111.632 111.632 109.902 1.730 18415 1717 1 3 . 1 1 33 33 GLY C C 33 174.861 174.861 174.924 -0.063 18415 1718 1 3 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.327 -0.660 18415 1719 1 3 . 1 1 33 33 GLY H H 33 8.053 8.053 8.481 -0.428 18415 1720 1 3 . 1 1 34 34 MET N N 34 116.998 116.998 118.791 -1.793 18415 1721 1 3 . 1 1 34 34 MET HA H 34 4.596 4.596 4.580 0.016 18415 1722 1 3 . 1 1 34 34 MET C C 34 175.356 175.356 175.900 -0.544 18415 1723 1 3 . 1 1 34 34 MET CA C 34 54.887 54.887 54.358 0.529 18415 1724 1 3 . 1 1 34 34 MET CB C 34 33.959 33.959 32.551 1.408 18415 1725 1 3 . 1 1 34 34 MET H H 34 7.441 7.441 7.678 -0.237 18415 1726 1 3 . 1 1 35 35 GLY N N 35 106.474 106.474 107.967 -1.493 18415 1727 1 3 . 1 1 35 35 GLY C C 35 173.112 173.112 172.892 0.220 18415 1728 1 3 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.384 0.017 18415 1729 1 3 . 1 1 35 35 GLY H H 35 7.807 7.807 7.835 -0.028 18415 1730 1 3 . 1 1 36 36 ALA N N 36 121.833 121.833 119.964 1.869 18415 1731 1 3 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.754 -0.052 18415 1732 1 3 . 1 1 36 36 ALA C C 36 174.285 174.285 175.019 -0.734 18415 1733 1 3 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.422 -0.701 18415 1734 1 3 . 1 1 36 36 ALA CB C 36 24.662 24.662 22.406 2.256 18415 1735 1 3 . 1 1 36 36 ALA H H 36 7.693 7.693 7.396 0.297 18415 1736 1 3 . 1 1 37 37 HIS N N 37 111.683 111.683 114.249 -2.566 18415 1737 1 3 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.109 0.022 18415 1738 1 3 . 1 1 37 37 HIS C C 37 175.351 175.351 174.651 0.700 18415 1739 1 3 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.906 -0.333 18415 1740 1 3 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.688 0.283 18415 1741 1 3 . 1 1 37 37 HIS H H 37 8.078 8.078 8.859 -0.781 18415 1742 1 3 . 1 1 38 38 LEU N N 38 123.260 123.260 121.538 1.722 18415 1743 1 3 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.770 0.003 18415 1744 1 3 . 1 1 38 38 LEU C C 38 179.180 179.180 177.999 1.181 18415 1745 1 3 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.671 0.695 18415 1746 1 3 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.604 1.052 18415 1747 1 3 . 1 1 38 38 LEU H H 38 9.964 9.964 9.454 0.510 18415 1748 1 3 . 1 1 39 39 MET N N 39 119.511 119.511 123.885 -4.374 18415 1749 1 3 . 1 1 39 39 MET HA H 39 3.855 3.855 4.442 -0.587 18415 1750 1 3 . 1 1 39 39 MET C C 39 174.874 174.874 175.534 -0.660 18415 1751 1 3 . 1 1 39 39 MET CA C 39 58.789 58.789 54.915 3.874 18415 1752 1 3 . 1 1 39 39 MET CB C 39 34.405 34.405 31.792 2.613 18415 1753 1 3 . 1 1 39 39 MET H H 39 8.409 8.409 8.754 -0.345 18415 1754 1 3 . 1 1 40 40 THR N N 40 123.771 123.771 120.713 3.058 18415 1755 1 3 . 1 1 40 40 THR HA H 40 4.013 4.013 4.661 -0.648 18415 1756 1 3 . 1 1 40 40 THR C C 40 172.936 172.936 174.144 -1.208 18415 1757 1 3 . 1 1 40 40 THR CA C 40 59.869 59.869 60.223 -0.354 18415 1758 1 3 . 1 1 40 40 THR CB C 40 70.587 70.587 68.004 2.583 18415 1759 1 3 . 1 1 40 40 THR H H 40 6.822 6.822 8.412 -1.590 18415 1760 1 3 . 1 1 41 41 ILE HA H 41 4.249 4.249 3.850 0.399 18415 1761 1 3 . 1 1 41 41 ILE C C 41 174.349 174.349 175.257 -0.908 18415 1762 1 3 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.321 -2.564 18415 1763 1 3 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.388 2.183 18415 1764 1 3 . 1 1 42 42 SER N N 42 122.113 122.113 121.783 0.330 18415 1765 1 3 . 1 1 42 42 SER HA H 42 4.647 4.647 4.423 0.224 18415 1766 1 3 . 1 1 42 42 SER C C 42 174.502 174.502 174.586 -0.084 18415 1767 1 3 . 1 1 42 42 SER CA C 42 59.768 59.768 59.261 0.507 18415 1768 1 3 . 1 1 42 42 SER CB C 42 64.720 64.720 64.578 0.142 18415 1769 1 3 . 1 1 42 42 SER H H 42 9.230 9.230 8.757 0.473 18415 1770 1 3 . 1 1 43 43 THR N N 43 108.516 108.516 112.031 -3.515 18415 1771 1 3 . 1 1 43 43 THR HA H 43 4.807 4.807 4.732 0.075 18415 1772 1 3 . 1 1 43 43 THR C C 43 173.812 173.812 175.144 -1.332 18415 1773 1 3 . 1 1 43 43 THR CA C 43 59.249 59.249 60.009 -0.760 18415 1774 1 3 . 1 1 43 43 THR CB C 43 73.128 73.128 72.007 1.121 18415 1775 1 3 . 1 1 43 43 THR H H 43 7.559 7.559 8.093 -0.534 18415 1776 1 3 . 1 1 44 44 GLU N N 44 123.057 123.057 124.839 -1.782 18415 1777 1 3 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.020 -0.571 18415 1778 1 3 . 1 1 44 44 GLU C C 44 178.262 178.262 178.365 -0.103 18415 1779 1 3 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.289 -0.960 18415 1780 1 3 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.465 -0.023 18415 1781 1 3 . 1 1 44 44 GLU H H 44 9.377 9.377 9.131 0.246 18415 1782 1 3 . 1 1 45 45 ALA N N 45 119.910 119.910 121.984 -2.074 18415 1783 1 3 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.270 -0.220 18415 1784 1 3 . 1 1 45 45 ALA C C 45 180.096 180.096 179.576 0.520 18415 1785 1 3 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.172 0.007 18415 1786 1 3 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.348 -0.081 18415 1787 1 3 . 1 1 45 45 ALA H H 45 8.328 8.328 8.425 -0.097 18415 1788 1 3 . 1 1 46 46 GLU N N 46 118.861 118.861 118.736 0.125 18415 1789 1 3 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.448 0.164 18415 1790 1 3 . 1 1 46 46 GLU C C 46 177.452 177.452 178.490 -1.038 18415 1791 1 3 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.567 -0.283 18415 1792 1 3 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.239 1.274 18415 1793 1 3 . 1 1 46 46 GLU H H 46 7.852 7.852 7.792 0.060 18415 1794 1 3 . 1 1 47 47 GLN N N 47 119.473 119.473 118.763 0.710 18415 1795 1 3 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.824 -0.137 18415 1796 1 3 . 1 1 47 47 GLN C C 47 176.429 176.429 178.221 -1.792 18415 1797 1 3 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.975 0.933 18415 1798 1 3 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.425 1.551 18415 1799 1 3 . 1 1 47 47 GLN H H 47 7.054 7.054 7.700 -0.646 18415 1800 1 3 . 1 1 48 48 ASN N N 48 115.182 115.182 117.422 -2.240 18415 1801 1 3 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.290 -0.077 18415 1802 1 3 . 1 1 48 48 ASN C C 48 176.986 176.986 177.194 -0.208 18415 1803 1 3 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.981 -0.952 18415 1804 1 3 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.505 -0.947 18415 1805 1 3 . 1 1 48 48 ASN H H 48 8.416 8.416 7.984 0.432 18415 1806 1 3 . 1 1 49 49 PHE N N 49 118.413 118.413 117.561 0.852 18415 1807 1 3 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.286 -0.307 18415 1808 1 3 . 1 1 49 49 PHE C C 49 177.254 177.254 177.475 -0.221 18415 1809 1 3 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.849 -0.687 18415 1810 1 3 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.280 -1.197 18415 1811 1 3 . 1 1 49 49 PHE H H 49 7.473 7.473 7.969 -0.496 18415 1812 1 3 . 1 1 50 50 ILE N N 50 117.601 117.601 122.456 -4.855 18415 1813 1 3 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.933 -0.392 18415 1814 1 3 . 1 1 50 50 ILE C C 50 176.891 176.891 176.709 0.182 18415 1815 1 3 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.675 -3.023 18415 1816 1 3 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.893 1.316 18415 1817 1 3 . 1 1 50 50 ILE H H 50 7.020 7.020 8.330 -1.310 18415 1818 1 3 . 1 1 51 51 ILE N N 51 114.824 114.824 115.328 -0.504 18415 1819 1 3 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.946 -0.053 18415 1820 1 3 . 1 1 51 51 ILE C C 51 177.092 177.092 176.502 0.590 18415 1821 1 3 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.780 1.424 18415 1822 1 3 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.357 0.563 18415 1823 1 3 . 1 1 51 51 ILE H H 51 7.216 7.216 7.327 -0.111 18415 1824 1 3 . 1 1 52 52 GLN N N 52 116.767 116.767 117.533 -0.766 18415 1825 1 3 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.954 -0.184 18415 1826 1 3 . 1 1 52 52 GLN C C 52 176.442 176.442 176.686 -0.244 18415 1827 1 3 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.267 0.003 18415 1828 1 3 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.929 0.091 18415 1829 1 3 . 1 1 52 52 GLN H H 52 6.416 6.416 7.151 -0.735 18415 1830 1 3 . 1 1 53 53 PHE N N 53 115.400 115.400 116.648 -1.248 18415 1831 1 3 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.415 0.162 18415 1832 1 3 . 1 1 53 53 PHE C C 53 174.993 174.993 175.850 -0.857 18415 1833 1 3 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.905 -2.010 18415 1834 1 3 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.136 -0.603 18415 1835 1 3 . 1 1 53 53 PHE H H 53 7.216 7.216 7.275 -0.059 18415 1836 1 3 . 1 1 54 54 LEU N N 54 118.096 118.096 119.729 -1.633 18415 1837 1 3 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.821 0.270 18415 1838 1 3 . 1 1 54 54 LEU C C 54 175.467 175.467 176.167 -0.700 18415 1839 1 3 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.975 -0.404 18415 1840 1 3 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.452 0.255 18415 1841 1 3 . 1 1 54 54 LEU H H 54 6.668 6.668 7.270 -0.602 18415 1842 1 3 . 1 1 55 55 ASP N N 55 123.723 123.723 122.934 0.789 18415 1843 1 3 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.728 0.087 18415 1844 1 3 . 1 1 55 55 ASP C C 55 177.896 177.896 177.352 0.544 18415 1845 1 3 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.254 -1.156 18415 1846 1 3 . 1 1 55 55 ASP CB C 55 42.662 42.662 43.086 -0.424 18415 1847 1 3 . 1 1 55 55 ASP H H 55 8.687 8.687 8.558 0.129 18415 1848 1 3 . 1 1 56 56 ARG N N 56 124.370 124.370 123.892 0.478 18415 1849 1 3 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.177 0.133 18415 1850 1 3 . 1 1 56 56 ARG C C 56 178.201 178.201 176.315 1.886 18415 1851 1 3 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.721 2.237 18415 1852 1 3 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.761 1.817 18415 1853 1 3 . 1 1 56 56 ARG H H 56 8.758 8.758 8.708 0.050 18415 1854 1 3 . 1 1 57 57 ARG N N 57 120.411 120.411 116.097 4.314 18415 1855 1 3 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.409 -0.115 18415 1856 1 3 . 1 1 57 57 ARG C C 57 177.064 177.064 175.721 1.343 18415 1857 1 3 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.022 1.510 18415 1858 1 3 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.087 -1.395 18415 1859 1 3 . 1 1 57 57 ARG H H 57 9.150 9.150 8.232 0.918 18415 1860 1 3 . 1 1 58 58 LEU N N 58 119.445 119.445 122.498 -3.053 18415 1861 1 3 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.553 0.151 18415 1862 1 3 . 1 1 58 58 LEU C C 58 176.450 176.450 176.152 0.298 18415 1863 1 3 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.162 1.117 18415 1864 1 3 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.442 -0.184 18415 1865 1 3 . 1 1 58 58 LEU H H 58 8.328 8.328 7.711 0.617 18415 1866 1 3 . 1 1 59 59 SER N N 59 116.536 116.536 116.324 0.212 18415 1867 1 3 . 1 1 59 59 SER HA H 59 5.505 5.505 4.986 0.519 18415 1868 1 3 . 1 1 59 59 SER C C 59 173.263 173.263 173.588 -0.325 18415 1869 1 3 . 1 1 59 59 SER CA C 59 57.199 57.199 56.891 0.308 18415 1870 1 3 . 1 1 59 59 SER CB C 59 65.064 65.064 63.955 1.109 18415 1871 1 3 . 1 1 59 59 SER H H 59 8.470 8.470 8.466 0.004 18415 1872 1 3 . 1 1 60 60 TYR N N 60 120.274 120.274 124.430 -4.156 18415 1873 1 3 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.715 -0.438 18415 1874 1 3 . 1 1 60 60 TYR C C 60 175.560 175.560 175.429 0.131 18415 1875 1 3 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.885 -0.413 18415 1876 1 3 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.373 2.134 18415 1877 1 3 . 1 1 60 60 TYR H H 60 8.897 8.897 8.966 -0.069 18415 1878 1 3 . 1 1 61 61 PHE N N 61 123.635 123.635 122.802 0.833 18415 1879 1 3 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.515 0.773 18415 1880 1 3 . 1 1 61 61 PHE C C 61 175.433 175.433 175.437 -0.004 18415 1881 1 3 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.942 0.133 18415 1882 1 3 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.152 1.717 18415 1883 1 3 . 1 1 61 61 PHE H H 61 9.521 9.521 9.212 0.309 18415 1884 1 3 . 1 1 62 62 LEU N N 62 114.382 114.382 122.525 -8.143 18415 1885 1 3 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.843 0.230 18415 1886 1 3 . 1 1 62 62 LEU C C 62 179.521 179.521 177.389 2.132 18415 1887 1 3 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.578 -1.795 18415 1888 1 3 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.354 1.922 18415 1889 1 3 . 1 1 62 62 LEU H H 62 8.394 8.394 8.407 -0.013 18415 1890 1 3 . 1 1 63 63 GLY N N 63 106.675 106.675 109.613 -2.938 18415 1891 1 3 . 1 1 63 63 GLY C C 63 172.404 172.404 173.319 -0.915 18415 1892 1 3 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.692 2.701 18415 1893 1 3 . 1 1 63 63 GLY H H 63 9.253 9.253 9.048 0.205 18415 1894 1 3 . 1 1 64 64 LEU N N 64 124.754 124.754 122.941 1.813 18415 1895 1 3 . 1 1 64 64 LEU HA H 64 4.584 4.584 5.133 -0.549 18415 1896 1 3 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.497 -0.195 18415 1897 1 3 . 1 1 64 64 LEU CB C 64 43.272 43.272 46.150 -2.878 18415 1898 1 3 . 1 1 64 64 LEU H H 64 6.840 6.840 8.478 -1.638 18415 1899 1 3 . 1 1 65 65 ARG N N 65 124.476 124.476 124.924 -0.448 18415 1900 1 3 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.155 1.005 18415 1901 1 3 . 1 1 65 65 ARG C C 65 174.245 174.245 173.171 1.074 18415 1902 1 3 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.439 0.465 18415 1903 1 3 . 1 1 65 65 ARG CB C 65 34.531 34.531 34.359 0.172 18415 1904 1 3 . 1 1 65 65 ARG H H 65 8.218 8.218 9.292 -1.074 18415 1905 1 3 . 1 1 66 66 ASP N N 66 126.754 126.754 124.792 1.962 18415 1906 1 3 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.524 -0.095 18415 1907 1 3 . 1 1 66 66 ASP C C 66 176.516 176.516 174.168 2.348 18415 1908 1 3 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.571 -0.717 18415 1909 1 3 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.177 -2.409 18415 1910 1 3 . 1 1 66 66 ASP H H 66 8.756 8.756 7.658 1.098 18415 1911 1 3 . 1 1 67 67 GLU N N 67 123.390 123.390 123.847 -0.457 18415 1912 1 3 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.227 -0.451 18415 1913 1 3 . 1 1 67 67 GLU C C 67 175.648 175.648 176.407 -0.759 18415 1914 1 3 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.117 2.731 18415 1915 1 3 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.698 0.618 18415 1916 1 3 . 1 1 67 67 GLU H H 67 8.488 8.488 8.247 0.241 18415 1917 1 3 . 1 1 68 68 ASN N N 68 114.882 114.882 120.677 -5.795 18415 1918 1 3 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.295 0.369 18415 1919 1 3 . 1 1 68 68 ASN C C 68 174.482 174.482 174.248 0.234 18415 1920 1 3 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.549 -1.635 18415 1921 1 3 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.553 1.859 18415 1922 1 3 . 1 1 68 68 ASN H H 68 8.336 8.336 8.705 -0.369 18415 1923 1 3 . 1 1 69 69 ALA N N 69 118.915 118.915 116.609 2.306 18415 1924 1 3 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.969 -0.095 18415 1925 1 3 . 1 1 69 69 ALA C C 69 177.082 177.082 176.988 0.094 18415 1926 1 3 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.225 0.407 18415 1927 1 3 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.250 -0.079 18415 1928 1 3 . 1 1 69 69 ALA H H 69 7.444 7.444 7.522 -0.078 18415 1929 1 3 . 1 1 70 70 LYS N N 70 117.439 117.439 123.003 -5.564 18415 1930 1 3 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.413 -0.095 18415 1931 1 3 . 1 1 70 70 LYS C C 70 177.726 177.726 177.672 0.054 18415 1932 1 3 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.353 -0.930 18415 1933 1 3 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.480 -0.744 18415 1934 1 3 . 1 1 70 70 LYS H H 70 7.925 7.925 9.343 -1.418 18415 1935 1 3 . 1 1 71 71 GLY C C 71 175.127 175.127 173.996 1.131 18415 1936 1 3 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.460 0.214 18415 1937 1 3 . 1 1 72 72 GLN N N 72 124.084 124.084 119.557 4.527 18415 1938 1 3 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.460 -0.069 18415 1939 1 3 . 1 1 72 72 GLN C C 72 174.283 174.283 175.035 -0.752 18415 1940 1 3 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.009 0.148 18415 1941 1 3 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.269 0.364 18415 1942 1 3 . 1 1 72 72 GLN H H 72 7.749 7.749 7.806 -0.057 18415 1943 1 3 . 1 1 73 73 TRP N N 73 121.803 121.803 124.955 -3.152 18415 1944 1 3 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.419 -0.514 18415 1945 1 3 . 1 1 73 73 TRP C C 73 175.776 175.776 176.383 -0.607 18415 1946 1 3 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.745 -1.924 18415 1947 1 3 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.479 -0.603 18415 1948 1 3 . 1 1 73 73 TRP H H 73 6.599 6.599 7.847 -1.248 18415 1949 1 3 . 1 1 74 74 ARG N N 74 119.549 119.549 118.819 0.730 18415 1950 1 3 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.720 -0.014 18415 1951 1 3 . 1 1 74 74 ARG C C 74 176.980 176.980 175.776 1.204 18415 1952 1 3 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.461 -0.128 18415 1953 1 3 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.038 0.585 18415 1954 1 3 . 1 1 74 74 ARG H H 74 8.443 8.443 8.845 -0.402 18415 1955 1 3 . 1 1 75 75 TRP N N 75 125.690 125.690 120.499 5.191 18415 1956 1 3 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.071 0.356 18415 1957 1 3 . 1 1 75 75 TRP C C 75 180.474 180.474 177.884 2.590 18415 1958 1 3 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.836 -2.070 18415 1959 1 3 . 1 1 75 75 TRP CB C 75 31.030 31.030 29.927 1.103 18415 1960 1 3 . 1 1 75 75 TRP H H 75 9.052 9.052 8.330 0.722 18415 1961 1 3 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.240 0.038 18415 1962 1 3 . 1 1 76 76 VAL C C 76 175.431 175.431 175.666 -0.235 18415 1963 1 3 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.590 -0.026 18415 1964 1 3 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.500 -0.131 18415 1965 1 3 . 1 1 77 77 ASP N N 77 119.941 119.941 117.220 2.721 18415 1966 1 3 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.618 -0.640 18415 1967 1 3 . 1 1 77 77 ASP C C 77 176.293 176.293 175.378 0.915 18415 1968 1 3 . 1 1 77 77 ASP CA C 77 52.759 52.759 52.809 -0.050 18415 1969 1 3 . 1 1 77 77 ASP CB C 77 40.410 40.410 42.319 -1.909 18415 1970 1 3 . 1 1 77 77 ASP H H 77 8.004 8.004 8.037 -0.033 18415 1971 1 3 . 1 1 78 78 GLN N N 78 109.962 109.962 120.451 -10.489 18415 1972 1 3 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.434 -0.309 18415 1973 1 3 . 1 1 78 78 GLN C C 78 176.387 176.387 174.884 1.503 18415 1974 1 3 . 1 1 78 78 GLN CA C 78 57.792 57.792 56.348 1.444 18415 1975 1 3 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.160 -1.059 18415 1976 1 3 . 1 1 78 78 GLN H H 78 8.124 8.124 8.611 -0.487 18415 1977 1 3 . 1 1 79 79 THR N N 79 121.656 121.656 121.459 0.197 18415 1978 1 3 . 1 1 79 79 THR HA H 79 4.250 4.250 4.896 -0.646 18415 1979 1 3 . 1 1 79 79 THR C C 79 172.901 172.901 172.357 0.544 18415 1980 1 3 . 1 1 79 79 THR CA C 79 63.165 63.165 60.175 2.990 18415 1981 1 3 . 1 1 79 79 THR CB C 79 69.427 69.427 70.354 -0.927 18415 1982 1 3 . 1 1 79 79 THR H H 79 8.172 8.172 8.349 -0.177 18415 1983 1 3 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.721 -0.199 18415 1984 1 3 . 1 1 80 80 PRO C C 80 176.940 176.940 176.714 0.226 18415 1985 1 3 . 1 1 80 80 PRO CA C 80 63.688 63.688 63.029 0.659 18415 1986 1 3 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.291 -0.104 18415 1987 1 3 . 1 1 81 81 PHE N N 81 125.403 125.403 123.852 1.551 18415 1988 1 3 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.463 0.446 18415 1989 1 3 . 1 1 81 81 PHE C C 81 174.853 174.853 174.949 -0.096 18415 1990 1 3 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.035 -0.682 18415 1991 1 3 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.200 -0.181 18415 1992 1 3 . 1 1 81 81 PHE H H 81 9.015 9.015 8.802 0.213 18415 1993 1 3 . 1 1 82 82 ASN N N 82 129.264 129.264 124.848 4.416 18415 1994 1 3 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.860 0.195 18415 1995 1 3 . 1 1 82 82 ASN C C 82 173.643 173.643 173.344 0.299 18415 1996 1 3 . 1 1 82 82 ASN CA C 82 48.803 48.803 52.140 -3.337 18415 1997 1 3 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.211 0.284 18415 1998 1 3 . 1 1 82 82 ASN H H 82 8.985 8.985 8.285 0.700 18415 1999 1 3 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.382 -0.379 18415 2000 1 3 . 1 1 83 83 PRO C C 83 177.123 177.123 177.620 -0.497 18415 2001 1 3 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.832 -1.047 18415 2002 1 3 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.997 0.517 18415 2003 1 3 . 1 1 84 84 ARG N N 84 114.801 114.801 116.528 -1.727 18415 2004 1 3 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.194 0.129 18415 2005 1 3 . 1 1 84 84 ARG C C 84 176.890 176.890 175.621 1.269 18415 2006 1 3 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.274 -0.271 18415 2007 1 3 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.066 0.092 18415 2008 1 3 . 1 1 84 84 ARG H H 84 7.697 7.697 8.294 -0.597 18415 2009 1 3 . 1 1 85 85 ARG N N 85 123.958 123.958 119.650 4.308 18415 2010 1 3 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.800 0.505 18415 2011 1 3 . 1 1 85 85 ARG C C 85 173.017 173.017 174.803 -1.786 18415 2012 1 3 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.859 -1.050 18415 2013 1 3 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.317 -0.277 18415 2014 1 3 . 1 1 85 85 ARG H H 85 7.596 7.596 7.018 0.578 18415 2015 1 3 . 1 1 86 86 VAL N N 86 110.039 110.039 119.472 -9.433 18415 2016 1 3 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.550 0.249 18415 2017 1 3 . 1 1 86 86 VAL CA C 86 58.266 58.266 62.399 -4.133 18415 2018 1 3 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.427 1.799 18415 2019 1 3 . 1 1 86 86 VAL H H 86 6.570 6.570 7.860 -1.290 18415 2020 1 3 . 1 1 87 87 PHE HA H 87 4.322 4.322 3.809 0.513 18415 2021 1 3 . 1 1 87 87 PHE C C 87 173.471 173.471 175.355 -1.884 18415 2022 1 3 . 1 1 87 87 PHE CA C 87 55.377 55.377 60.516 -5.139 18415 2023 1 3 . 1 1 87 87 PHE CB C 87 37.384 37.384 36.720 0.664 18415 2024 1 3 . 1 1 88 88 TRP N N 88 118.538 118.538 116.058 2.480 18415 2025 1 3 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.175 0.627 18415 2026 1 3 . 1 1 88 88 TRP C C 88 179.297 179.297 177.177 2.120 18415 2027 1 3 . 1 1 88 88 TRP CA C 88 57.237 57.237 58.204 -0.967 18415 2028 1 3 . 1 1 88 88 TRP CB C 88 31.550 31.550 28.359 3.191 18415 2029 1 3 . 1 1 88 88 TRP H H 88 6.633 6.633 7.433 -0.800 18415 2030 1 3 . 1 1 89 89 HIS N N 89 122.693 122.693 118.745 3.948 18415 2031 1 3 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.598 -0.227 18415 2032 1 3 . 1 1 89 89 HIS C C 89 175.621 175.621 175.434 0.187 18415 2033 1 3 . 1 1 89 89 HIS CA C 89 58.121 58.121 58.175 -0.054 18415 2034 1 3 . 1 1 89 89 HIS CB C 89 32.712 32.712 32.200 0.513 18415 2035 1 3 . 1 1 89 89 HIS H H 89 9.473 9.473 8.762 0.711 18415 2036 1 3 . 1 1 90 90 LYS N N 90 120.826 120.826 117.596 3.230 18415 2037 1 3 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.195 -0.084 18415 2038 1 3 . 1 1 90 90 LYS C C 90 177.228 177.228 174.795 2.433 18415 2039 1 3 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.673 0.569 18415 2040 1 3 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.193 0.289 18415 2041 1 3 . 1 1 90 90 LYS H H 90 8.741 8.741 8.353 0.388 18415 2042 1 3 . 1 1 91 91 ASN N N 91 117.166 117.166 116.345 0.821 18415 2043 1 3 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.797 -0.481 18415 2044 1 3 . 1 1 91 91 ASN C C 91 173.391 173.391 174.720 -1.329 18415 2045 1 3 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.222 2.113 18415 2046 1 3 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.622 -1.237 18415 2047 1 3 . 1 1 91 91 ASN H H 91 8.906 8.906 8.319 0.587 18415 2048 1 3 . 1 1 92 92 GLU N N 92 116.991 116.991 120.459 -3.468 18415 2049 1 3 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.457 -0.170 18415 2050 1 3 . 1 1 92 92 GLU C C 92 173.188 173.188 174.641 -1.453 18415 2051 1 3 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.200 -0.929 18415 2052 1 3 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.459 0.995 18415 2053 1 3 . 1 1 92 92 GLU H H 92 7.738 7.738 8.197 -0.459 18415 2054 1 3 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.797 -0.153 18415 2055 1 3 . 1 1 95 95 ASN C C 95 175.699 175.699 175.220 0.479 18415 2056 1 3 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.218 0.242 18415 2057 1 3 . 1 1 95 95 ASN CB C 95 38.725 38.725 41.366 -2.641 18415 2058 1 3 . 1 1 96 96 SER N N 96 116.489 116.489 116.484 0.005 18415 2059 1 3 . 1 1 96 96 SER HA H 96 4.405 4.405 4.466 -0.061 18415 2060 1 3 . 1 1 96 96 SER C C 96 174.831 174.831 173.243 1.588 18415 2061 1 3 . 1 1 96 96 SER CA C 96 58.753 58.753 58.291 0.462 18415 2062 1 3 . 1 1 96 96 SER CB C 96 64.216 64.216 64.004 0.212 18415 2063 1 3 . 1 1 96 96 SER H H 96 8.118 8.118 9.066 -0.948 18415 2064 1 3 . 1 1 97 97 GLN N N 97 121.023 121.023 123.174 -2.151 18415 2065 1 3 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.500 -0.248 18415 2066 1 3 . 1 1 97 97 GLN C C 97 176.063 176.063 176.363 -0.300 18415 2067 1 3 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.324 0.633 18415 2068 1 3 . 1 1 97 97 GLN CB C 97 29.528 29.528 31.128 -1.600 18415 2069 1 3 . 1 1 97 97 GLN H H 97 8.371 8.371 8.224 0.147 18415 2070 1 3 . 1 1 98 98 GLY N N 98 110.498 110.498 114.945 -4.447 18415 2071 1 3 . 1 1 98 98 GLY C C 98 172.460 172.460 173.788 -1.328 18415 2072 1 3 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.966 -1.030 18415 2073 1 3 . 1 1 98 98 GLY H H 98 8.080 8.080 8.681 -0.601 18415 2074 1 3 . 1 1 99 99 GLU N N 99 119.919 119.919 124.669 -4.750 18415 2075 1 3 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.450 -0.179 18415 2076 1 3 . 1 1 99 99 GLU C C 99 176.605 176.605 174.778 1.827 18415 2077 1 3 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.183 1.325 18415 2078 1 3 . 1 1 99 99 GLU CB C 99 29.469 29.469 29.456 0.013 18415 2079 1 3 . 1 1 99 99 GLU H H 99 8.004 8.004 7.938 0.066 18415 2080 1 3 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.370 -0.090 18415 2081 1 3 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.036 2.345 18415 2082 1 3 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.725 2.192 18415 2083 1 3 . 1 1 101 101 CYS N N 101 121.118 121.118 117.439 3.679 18415 2084 1 3 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.170 0.320 18415 2085 1 3 . 1 1 101 101 CYS CA C 101 59.338 59.338 57.466 1.872 18415 2086 1 3 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.752 13.026 18415 2087 1 3 . 1 1 101 101 CYS H H 101 9.707 9.707 8.558 1.149 18415 2088 1 3 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.151 0.035 18415 2089 1 3 . 1 1 102 102 VAL C C 102 175.530 175.530 175.265 0.265 18415 2090 1 3 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.093 1.940 18415 2091 1 3 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.901 2.253 18415 2092 1 3 . 1 1 103 103 VAL N N 103 115.890 115.890 117.996 -2.106 18415 2093 1 3 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.905 0.443 18415 2094 1 3 . 1 1 103 103 VAL C C 103 175.136 175.136 174.790 0.346 18415 2095 1 3 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.286 -1.550 18415 2096 1 3 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.346 -0.213 18415 2097 1 3 . 1 1 103 103 VAL H H 103 8.698 8.698 8.901 -0.203 18415 2098 1 3 . 1 1 104 104 LEU N N 104 124.477 124.477 123.274 1.203 18415 2099 1 3 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.037 -0.061 18415 2100 1 3 . 1 1 104 104 LEU C C 104 176.248 176.248 176.078 0.170 18415 2101 1 3 . 1 1 104 104 LEU CA C 104 54.993 54.993 55.019 -0.026 18415 2102 1 3 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.217 2.625 18415 2103 1 3 . 1 1 104 104 LEU H H 104 9.453 9.453 8.846 0.607 18415 2104 1 3 . 1 1 105 105 VAL N N 105 123.109 123.109 124.615 -1.506 18415 2105 1 3 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.672 0.343 18415 2106 1 3 . 1 1 105 105 VAL C C 105 173.635 173.635 173.695 -0.060 18415 2107 1 3 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.602 1.631 18415 2108 1 3 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.592 0.042 18415 2109 1 3 . 1 1 105 105 VAL H H 105 9.477 9.477 8.772 0.705 18415 2110 1 3 . 1 1 106 106 TYR N N 106 136.491 136.491 128.932 7.559 18415 2111 1 3 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.418 0.047 18415 2112 1 3 . 1 1 106 106 TYR C C 106 175.009 175.009 173.910 1.099 18415 2113 1 3 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.245 -0.196 18415 2114 1 3 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.189 0.762 18415 2115 1 3 . 1 1 106 106 TYR H H 106 9.509 9.509 8.464 1.045 18415 2116 1 3 . 1 1 107 107 ASN N N 107 124.433 124.433 124.123 0.310 18415 2117 1 3 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.804 -0.254 18415 2118 1 3 . 1 1 107 107 ASN C C 107 173.919 173.919 174.493 -0.574 18415 2119 1 3 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.439 0.170 18415 2120 1 3 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.150 -0.140 18415 2121 1 3 . 1 1 107 107 ASN H H 107 8.329 8.329 8.089 0.240 18415 2122 1 3 . 1 1 108 108 GLN N N 108 119.681 119.681 122.193 -2.512 18415 2123 1 3 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.896 -0.242 18415 2124 1 3 . 1 1 108 108 GLN C C 108 175.060 175.060 174.336 0.724 18415 2125 1 3 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.779 0.827 18415 2126 1 3 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.335 -1.071 18415 2127 1 3 . 1 1 108 108 GLN H H 108 8.558 8.558 8.923 -0.365 18415 2128 1 3 . 1 1 109 109 ASP N N 109 109.712 109.712 113.848 -4.136 18415 2129 1 3 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.344 0.633 18415 2130 1 3 . 1 1 109 109 ASP C C 109 174.354 174.354 174.660 -0.306 18415 2131 1 3 . 1 1 109 109 ASP CA C 109 55.199 55.199 54.988 0.211 18415 2132 1 3 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.130 -0.104 18415 2133 1 3 . 1 1 109 109 ASP H H 109 8.199 8.199 8.427 -0.228 18415 2134 1 3 . 1 1 110 110 LYS N N 110 115.590 115.590 114.987 0.603 18415 2135 1 3 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.561 -0.009 18415 2136 1 3 . 1 1 110 110 LYS C C 110 174.674 174.674 174.723 -0.049 18415 2137 1 3 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.254 1.216 18415 2138 1 3 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.589 1.000 18415 2139 1 3 . 1 1 110 110 LYS H H 110 7.081 7.081 6.779 0.302 18415 2140 1 3 . 1 1 111 111 TRP N N 111 122.248 122.248 124.422 -2.174 18415 2141 1 3 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.161 -0.088 18415 2142 1 3 . 1 1 111 111 TRP C C 111 175.920 175.920 176.382 -0.462 18415 2143 1 3 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.477 -0.288 18415 2144 1 3 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.775 1.094 18415 2145 1 3 . 1 1 111 111 TRP H H 111 8.650 8.650 8.685 -0.035 18415 2146 1 3 . 1 1 112 112 ALA N N 112 124.184 124.184 125.564 -1.380 18415 2147 1 3 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.796 -0.628 18415 2148 1 3 . 1 1 112 112 ALA C C 112 174.995 174.995 175.617 -0.622 18415 2149 1 3 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.152 1.163 18415 2150 1 3 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.397 -5.515 18415 2151 1 3 . 1 1 112 112 ALA H H 112 8.790 8.790 8.962 -0.172 18415 2152 1 3 . 1 1 113 113 TRP N N 113 118.725 118.725 119.674 -0.949 18415 2153 1 3 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.287 0.869 18415 2154 1 3 . 1 1 113 113 TRP C C 113 177.471 177.471 177.276 0.195 18415 2155 1 3 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.941 -1.326 18415 2156 1 3 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.493 2.881 18415 2157 1 3 . 1 1 113 113 TRP H H 113 8.969 8.969 8.215 0.754 18415 2158 1 3 . 1 1 114 114 ASN N N 114 120.479 120.479 120.725 -0.246 18415 2159 1 3 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.125 0.365 18415 2160 1 3 . 1 1 114 114 ASN C C 114 174.708 174.708 173.801 0.907 18415 2161 1 3 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.638 -0.880 18415 2162 1 3 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.437 -0.419 18415 2163 1 3 . 1 1 114 114 ASN H H 114 9.518 9.518 9.150 0.368 18415 2164 1 3 . 1 1 115 115 ASP N N 115 118.209 118.209 126.889 -8.680 18415 2165 1 3 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.953 0.918 18415 2166 1 3 . 1 1 115 115 ASP C C 115 174.291 174.291 175.676 -1.385 18415 2167 1 3 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.556 -2.369 18415 2168 1 3 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.844 -1.340 18415 2169 1 3 . 1 1 115 115 ASP H H 115 8.563 8.563 8.832 -0.269 18415 2170 1 3 . 1 1 116 116 VAL N N 116 118.669 118.669 119.446 -0.777 18415 2171 1 3 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.763 0.132 18415 2172 1 3 . 1 1 116 116 VAL C C 116 172.334 172.334 173.433 -1.099 18415 2173 1 3 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.315 -0.034 18415 2174 1 3 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.860 -0.527 18415 2175 1 3 . 1 1 116 116 VAL H H 116 9.369 9.369 8.677 0.692 18415 2176 1 3 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.103 -0.169 18415 2177 1 3 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.476 0.600 18415 2178 1 3 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.446 0.913 18415 2179 1 3 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.558 -0.108 18415 2180 1 3 . 1 1 118 118 CYS C C 118 175.583 175.583 176.382 -0.799 18415 2181 1 3 . 1 1 118 118 CYS CA C 118 58.904 58.904 61.235 -2.331 18415 2182 1 3 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.843 16.998 18415 2183 1 3 . 1 1 119 119 ASN N N 119 117.251 117.251 116.756 0.495 18415 2184 1 3 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.619 0.294 18415 2185 1 3 . 1 1 119 119 ASN C C 119 174.849 174.849 174.746 0.103 18415 2186 1 3 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.584 -0.442 18415 2187 1 3 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.294 -1.218 18415 2188 1 3 . 1 1 119 119 ASN H H 119 8.411 8.411 8.541 -0.130 18415 2189 1 3 . 1 1 120 120 PHE N N 120 123.415 123.415 122.309 1.106 18415 2190 1 3 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.595 -0.049 18415 2191 1 3 . 1 1 120 120 PHE C C 120 173.156 173.156 175.076 -1.920 18415 2192 1 3 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.298 1.062 18415 2193 1 3 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.196 0.253 18415 2194 1 3 . 1 1 120 120 PHE H H 120 8.097 8.097 8.182 -0.085 18415 2195 1 3 . 1 1 121 121 GLU N N 121 119.143 119.143 127.901 -8.758 18415 2196 1 3 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.425 0.128 18415 2197 1 3 . 1 1 121 121 GLU C C 121 174.732 174.732 174.947 -0.215 18415 2198 1 3 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.146 -2.558 18415 2199 1 3 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.035 1.385 18415 2200 1 3 . 1 1 121 121 GLU H H 121 7.012 7.012 8.613 -1.601 18415 2201 1 3 . 1 1 122 122 ALA N N 122 125.793 125.793 128.216 -2.423 18415 2202 1 3 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.463 0.008 18415 2203 1 3 . 1 1 122 122 ALA C C 122 177.616 177.616 176.076 1.540 18415 2204 1 3 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.427 0.816 18415 2205 1 3 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.456 -1.853 18415 2206 1 3 . 1 1 122 122 ALA H H 122 8.441 8.441 9.204 -0.763 18415 2207 1 3 . 1 1 123 123 SER N N 123 115.420 115.420 114.538 0.882 18415 2208 1 3 . 1 1 123 123 SER HA H 123 4.522 4.522 5.511 -0.989 18415 2209 1 3 . 1 1 123 123 SER C C 123 172.514 172.514 174.808 -2.294 18415 2210 1 3 . 1 1 123 123 SER CA C 123 60.661 60.661 57.333 3.328 18415 2211 1 3 . 1 1 123 123 SER CB C 123 62.943 62.943 63.979 -1.036 18415 2212 1 3 . 1 1 123 123 SER H H 123 7.716 7.716 8.012 -0.296 18415 2213 1 3 . 1 1 124 124 ARG N N 124 112.529 112.529 116.525 -3.996 18415 2214 1 3 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.088 0.402 18415 2215 1 3 . 1 1 124 124 ARG C C 124 173.779 173.779 174.189 -0.410 18415 2216 1 3 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.443 0.496 18415 2217 1 3 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.830 -1.905 18415 2218 1 3 . 1 1 124 124 ARG H H 124 8.840 8.840 8.930 -0.090 18415 2219 1 3 . 1 1 125 125 ILE N N 125 116.525 116.525 120.841 -4.316 18415 2220 1 3 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.698 0.020 18415 2221 1 3 . 1 1 125 125 ILE C C 125 175.656 175.656 174.568 1.088 18415 2222 1 3 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.674 1.162 18415 2223 1 3 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.253 1.305 18415 2224 1 3 . 1 1 125 125 ILE H H 125 6.989 6.989 8.236 -1.247 18415 2225 1 3 . 1 1 126 126 CYS N N 126 123.910 123.910 128.518 -4.608 18415 2226 1 3 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.215 0.355 18415 2227 1 3 . 1 1 126 126 CYS C C 126 173.662 173.662 173.465 0.197 18415 2228 1 3 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.562 -4.722 18415 2229 1 3 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.518 10.623 18415 2230 1 3 . 1 1 126 126 CYS H H 126 8.288 8.288 9.198 -0.910 18415 2231 1 3 . 1 1 127 127 LYS N N 127 124.170 124.170 129.084 -4.914 18415 2232 1 3 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.640 -0.021 18415 2233 1 3 . 1 1 127 127 LYS C C 127 174.637 174.637 175.005 -0.368 18415 2234 1 3 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.138 1.097 18415 2235 1 3 . 1 1 127 127 LYS CB C 127 38.518 38.518 34.922 3.596 18415 2236 1 3 . 1 1 127 127 LYS H H 127 9.681 9.681 9.511 0.170 18415 2237 1 3 . 1 1 128 128 ILE N N 128 129.226 129.226 124.586 4.640 18415 2238 1 3 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.777 0.123 18415 2239 1 3 . 1 1 128 128 ILE C C 128 172.463 172.463 173.269 -0.806 18415 2240 1 3 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.333 1.051 18415 2241 1 3 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.904 1.984 18415 2242 1 3 . 1 1 128 128 ILE H H 128 9.205 9.205 9.350 -0.145 18415 2243 1 3 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.776 0.215 18415 2244 1 3 . 1 1 129 129 PRO C C 129 177.954 177.954 177.623 0.331 18415 2245 1 3 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.331 0.293 18415 2246 1 3 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.531 -0.030 18415 2247 1 3 . 1 1 130 130 GLY N N 130 110.745 110.745 108.452 2.293 18415 2248 1 3 . 1 1 130 130 GLY C C 130 175.022 175.022 174.904 0.118 18415 2249 1 3 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.280 0.976 18415 2250 1 3 . 1 1 130 130 GLY H H 130 8.673 8.673 8.490 0.183 18415 2251 1 3 . 1 1 131 131 THR N N 131 112.246 112.246 115.803 -3.557 18415 2252 1 3 . 1 1 131 131 THR HA H 131 4.427 4.427 4.230 0.197 18415 2253 1 3 . 1 1 131 131 THR C C 131 175.259 175.259 174.942 0.317 18415 2254 1 3 . 1 1 131 131 THR CA C 131 61.500 61.500 63.340 -1.840 18415 2255 1 3 . 1 1 131 131 THR CB C 131 69.998 69.998 68.403 1.595 18415 2256 1 3 . 1 1 131 131 THR H H 131 7.870 7.870 8.180 -0.310 18415 2257 1 3 . 1 1 132 132 THR N N 132 116.455 116.455 118.931 -2.476 18415 2258 1 3 . 1 1 132 132 THR HA H 132 4.281 4.281 4.004 0.277 18415 2259 1 3 . 1 1 132 132 THR C C 132 174.867 174.867 175.511 -0.644 18415 2260 1 3 . 1 1 132 132 THR CA C 132 62.453 62.453 66.064 -3.611 18415 2261 1 3 . 1 1 132 132 THR CB C 132 69.868 69.868 68.098 1.770 18415 2262 1 3 . 1 1 132 132 THR H H 132 8.120 8.120 7.955 0.165 18415 2263 1 3 . 1 1 133 133 LEU N N 133 124.001 124.001 119.305 4.696 18415 2264 1 3 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.075 0.187 18415 2265 1 3 . 1 1 133 133 LEU C C 133 177.365 177.365 178.876 -1.511 18415 2266 1 3 . 1 1 133 133 LEU CA C 133 55.747 55.747 57.939 -2.192 18415 2267 1 3 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.465 0.857 18415 2268 1 3 . 1 1 133 133 LEU H H 133 8.117 8.117 7.410 0.707 18415 2269 1 3 . 1 1 134 134 ASN N N 134 119.222 119.222 117.857 1.365 18415 2270 1 3 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.493 0.128 18415 2271 1 3 . 1 1 134 134 ASN C C 134 175.725 175.725 176.099 -0.374 18415 2272 1 3 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.409 -1.784 18415 2273 1 3 . 1 1 134 134 ASN CB C 134 38.836 38.836 38.898 -0.062 18415 2274 1 3 . 1 1 134 134 ASN H H 134 8.325 8.325 7.554 0.771 18415 2275 1 3 . 1 1 135 135 ALA N N 135 123.649 123.649 122.513 1.136 18415 2276 1 3 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.496 -0.367 18415 2277 1 3 . 1 1 135 135 ALA C C 135 179.061 179.061 177.454 1.607 18415 2278 1 3 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.625 2.307 18415 2279 1 3 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.705 1.234 18415 2280 1 3 . 1 1 135 135 ALA H H 135 8.205 8.205 7.977 0.228 18415 2281 1 3 . 1 1 136 136 GLU N N 136 119.187 119.187 119.226 -0.039 18415 2282 1 3 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.107 0.098 18415 2283 1 3 . 1 1 136 136 GLU C C 136 177.504 177.504 178.150 -0.646 18415 2284 1 3 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.103 -1.224 18415 2285 1 3 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.095 0.551 18415 2286 1 3 . 1 1 136 136 GLU H H 136 8.349 8.349 7.951 0.398 18415 2287 1 3 . 1 1 137 137 ASN N N 137 118.988 118.988 118.549 0.439 18415 2288 1 3 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.626 0.011 18415 2289 1 3 . 1 1 137 137 ASN C C 137 176.785 176.785 177.614 -0.829 18415 2290 1 3 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.382 -0.908 18415 2291 1 3 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.043 0.666 18415 2292 1 3 . 1 1 137 137 ASN H H 137 8.259 8.259 8.262 -0.003 18415 2293 1 3 . 1 1 138 138 LEU N N 138 121.438 121.438 122.206 -0.768 18415 2294 1 3 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.088 0.047 18415 2295 1 3 . 1 1 138 138 LEU C C 138 178.872 178.872 178.071 0.801 18415 2296 1 3 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.804 -0.877 18415 2297 1 3 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.058 -0.057 18415 2298 1 3 . 1 1 138 138 LEU H H 138 8.084 8.084 7.283 0.801 18415 2299 1 3 . 1 1 139 139 TYR N N 139 120.558 120.558 119.850 0.708 18415 2300 1 3 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.187 0.099 18415 2301 1 3 . 1 1 139 139 TYR C C 139 177.587 177.587 176.955 0.632 18415 2302 1 3 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.389 -1.244 18415 2303 1 3 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.557 -0.191 18415 2304 1 3 . 1 1 139 139 TYR H H 139 8.130 8.130 8.194 -0.064 18415 2305 1 3 . 1 1 140 140 PHE N N 140 120.508 120.508 120.021 0.487 18415 2306 1 3 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.136 0.219 18415 2307 1 3 . 1 1 140 140 PHE C C 140 177.425 177.425 176.881 0.544 18415 2308 1 3 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.716 -1.086 18415 2309 1 3 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.338 -0.086 18415 2310 1 3 . 1 1 140 140 PHE H H 140 8.275 8.275 8.110 0.165 18415 2311 1 3 . 1 1 141 141 GLN N N 141 119.274 119.274 117.952 1.322 18415 2312 1 3 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.007 0.106 18415 2313 1 3 . 1 1 141 141 GLN C C 141 176.976 176.976 176.424 0.552 18415 2314 1 3 . 1 1 141 141 GLN CA C 141 57.363 57.363 57.415 -0.052 18415 2315 1 3 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.410 -0.382 18415 2316 1 3 . 1 1 141 141 GLN H H 141 8.250 8.250 7.807 0.443 18415 2317 1 4 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.064 -0.277 18415 2318 1 4 . 1 1 2 2 VAL C C 2 172.250 172.250 174.015 -1.765 18415 2319 1 4 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.767 -1.473 18415 2320 1 4 . 1 1 2 2 VAL CB C 2 33.708 33.708 32.348 1.360 18415 2321 1 4 . 1 1 3 3 CYS N N 3 121.988 121.988 124.650 -2.662 18415 2322 1 4 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.529 0.676 18415 2323 1 4 . 1 1 3 3 CYS C C 3 171.993 171.993 172.271 -0.278 18415 2324 1 4 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.481 -4.437 18415 2325 1 4 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.107 10.354 18415 2326 1 4 . 1 1 3 3 CYS H H 3 8.628 8.628 8.221 0.407 18415 2327 1 4 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.945 -0.122 18415 2328 1 4 . 1 1 5 5 ILE C C 5 176.622 176.622 177.773 -1.151 18415 2329 1 4 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.539 0.761 18415 2330 1 4 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.687 -0.643 18415 2331 1 4 . 1 1 6 6 ASP N N 6 117.894 117.894 126.909 -9.015 18415 2332 1 4 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.364 -0.020 18415 2333 1 4 . 1 1 6 6 ASP H H 6 8.606 8.606 8.772 -0.166 18415 2334 1 4 . 1 1 7 7 TRP N N 7 120.564 120.564 121.362 -0.798 18415 2335 1 4 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.638 0.052 18415 2336 1 4 . 1 1 7 7 TRP C C 7 176.415 176.415 177.042 -0.627 18415 2337 1 4 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.820 -0.782 18415 2338 1 4 . 1 1 7 7 TRP CB C 7 28.771 28.771 28.847 -0.076 18415 2339 1 4 . 1 1 7 7 TRP H H 7 8.208 8.208 7.886 0.322 18415 2340 1 4 . 1 1 8 8 ARG N N 8 119.872 119.872 124.991 -5.119 18415 2341 1 4 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.257 0.429 18415 2342 1 4 . 1 1 8 8 ARG C C 8 176.146 176.146 176.105 0.041 18415 2343 1 4 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.541 -0.600 18415 2344 1 4 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.175 2.388 18415 2345 1 4 . 1 1 8 8 ARG H H 8 9.456 9.456 8.757 0.699 18415 2346 1 4 . 1 1 9 9 ALA N N 9 127.265 127.265 129.100 -1.835 18415 2347 1 4 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.858 0.533 18415 2348 1 4 . 1 1 9 9 ALA C C 9 176.927 176.927 176.528 0.399 18415 2349 1 4 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.385 0.625 18415 2350 1 4 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.812 2.851 18415 2351 1 4 . 1 1 9 9 ALA H H 9 8.819 8.819 8.541 0.278 18415 2352 1 4 . 1 1 10 10 PHE N N 10 120.450 120.450 127.575 -7.125 18415 2353 1 4 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.710 -0.516 18415 2354 1 4 . 1 1 10 10 PHE C C 10 174.606 174.606 174.626 -0.020 18415 2355 1 4 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.306 1.220 18415 2356 1 4 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.392 -0.531 18415 2357 1 4 . 1 1 10 10 PHE H H 10 8.202 8.202 8.908 -0.706 18415 2358 1 4 . 1 1 11 11 GLN N N 11 126.391 126.391 123.484 2.907 18415 2359 1 4 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.521 -0.060 18415 2360 1 4 . 1 1 11 11 GLN C C 11 175.859 175.859 175.798 0.061 18415 2361 1 4 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.195 -0.943 18415 2362 1 4 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.352 -1.390 18415 2363 1 4 . 1 1 11 11 GLN H H 11 8.872 8.872 8.469 0.403 18415 2364 1 4 . 1 1 12 12 SER N N 12 113.087 113.087 116.418 -3.331 18415 2365 1 4 . 1 1 12 12 SER HA H 12 4.252 4.252 4.357 -0.105 18415 2366 1 4 . 1 1 12 12 SER C C 12 173.339 173.339 174.626 -1.287 18415 2367 1 4 . 1 1 12 12 SER CA C 12 59.795 59.795 59.050 0.745 18415 2368 1 4 . 1 1 12 12 SER CB C 12 62.943 62.943 63.840 -0.897 18415 2369 1 4 . 1 1 12 12 SER H H 12 8.189 8.189 8.269 -0.080 18415 2370 1 4 . 1 1 13 13 ASN N N 13 118.336 118.336 118.468 -0.132 18415 2371 1 4 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.826 0.430 18415 2372 1 4 . 1 1 13 13 ASN C C 13 174.330 174.330 174.328 0.002 18415 2373 1 4 . 1 1 13 13 ASN CA C 13 52.342 52.342 54.233 -1.891 18415 2374 1 4 . 1 1 13 13 ASN CB C 13 43.458 43.458 39.827 3.631 18415 2375 1 4 . 1 1 13 13 ASN H H 13 8.242 8.242 7.669 0.573 18415 2376 1 4 . 1 1 14 14 CYS N N 14 118.315 118.315 116.690 1.625 18415 2377 1 4 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.460 0.401 18415 2378 1 4 . 1 1 14 14 CYS C C 14 174.314 174.314 173.297 1.017 18415 2379 1 4 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.474 -4.789 18415 2380 1 4 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.265 13.754 18415 2381 1 4 . 1 1 14 14 CYS H H 14 8.592 8.592 8.837 -0.245 18415 2382 1 4 . 1 1 15 15 TYR N N 15 121.588 121.588 120.609 0.979 18415 2383 1 4 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.154 0.623 18415 2384 1 4 . 1 1 15 15 TYR C C 15 176.333 176.333 174.079 2.254 18415 2385 1 4 . 1 1 15 15 TYR CA C 15 57.616 57.616 56.029 1.587 18415 2386 1 4 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.189 3.394 18415 2387 1 4 . 1 1 15 15 TYR H H 15 9.947 9.947 9.520 0.427 18415 2388 1 4 . 1 1 16 16 PHE N N 16 121.989 121.989 123.273 -1.284 18415 2389 1 4 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.600 0.311 18415 2390 1 4 . 1 1 16 16 PHE C C 16 172.937 172.937 173.002 -0.065 18415 2391 1 4 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.950 -0.552 18415 2392 1 4 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.718 -1.648 18415 2393 1 4 . 1 1 16 16 PHE H H 16 8.717 8.717 9.198 -0.481 18415 2394 1 4 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.509 0.607 18415 2395 1 4 . 1 1 17 17 PRO C C 17 175.445 175.445 175.032 0.413 18415 2396 1 4 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.817 -0.329 18415 2397 1 4 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.891 0.100 18415 2398 1 4 . 1 1 18 18 LEU N N 18 126.062 126.062 121.224 4.838 18415 2399 1 4 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.843 -0.162 18415 2400 1 4 . 1 1 18 18 LEU C C 18 177.391 177.391 176.484 0.907 18415 2401 1 4 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.600 1.760 18415 2402 1 4 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.965 0.517 18415 2403 1 4 . 1 1 18 18 LEU H H 18 9.054 9.054 8.361 0.693 18415 2404 1 4 . 1 1 19 19 THR N N 19 109.256 109.256 111.585 -2.329 18415 2405 1 4 . 1 1 19 19 THR HA H 19 4.612 4.612 4.415 0.197 18415 2406 1 4 . 1 1 19 19 THR C C 19 175.613 175.613 173.874 1.739 18415 2407 1 4 . 1 1 19 19 THR CA C 19 62.236 62.236 60.931 1.306 18415 2408 1 4 . 1 1 19 19 THR CB C 19 69.530 69.530 69.016 0.514 18415 2409 1 4 . 1 1 19 19 THR H H 19 8.303 8.303 8.562 -0.259 18415 2410 1 4 . 1 1 20 20 ASP N N 20 121.645 121.645 121.600 0.045 18415 2411 1 4 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.559 -0.102 18415 2412 1 4 . 1 1 20 20 ASP C C 20 174.684 174.684 175.131 -0.447 18415 2413 1 4 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.489 -0.371 18415 2414 1 4 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.086 -1.017 18415 2415 1 4 . 1 1 20 20 ASP H H 20 8.834 8.834 7.866 0.968 18415 2416 1 4 . 1 1 21 21 ASN N N 21 118.648 118.648 121.328 -2.680 18415 2417 1 4 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.623 0.023 18415 2418 1 4 . 1 1 21 21 ASN C C 21 176.542 176.542 174.637 1.905 18415 2419 1 4 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.899 -0.447 18415 2420 1 4 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.058 1.395 18415 2421 1 4 . 1 1 21 21 ASN H H 21 8.113 8.113 8.582 -0.469 18415 2422 1 4 . 1 1 22 22 LYS N N 22 122.470 122.470 125.706 -3.236 18415 2423 1 4 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.680 0.176 18415 2424 1 4 . 1 1 22 22 LYS C C 22 176.711 176.711 176.326 0.385 18415 2425 1 4 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.120 2.545 18415 2426 1 4 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.632 2.908 18415 2427 1 4 . 1 1 22 22 LYS H H 22 8.794 8.794 8.693 0.101 18415 2428 1 4 . 1 1 23 23 THR N N 23 109.009 109.009 114.749 -5.740 18415 2429 1 4 . 1 1 23 23 THR HA H 23 5.647 5.647 4.727 0.920 18415 2430 1 4 . 1 1 23 23 THR C C 23 178.411 178.411 175.790 2.621 18415 2431 1 4 . 1 1 23 23 THR CA C 23 61.773 61.773 61.794 -0.021 18415 2432 1 4 . 1 1 23 23 THR CB C 23 71.820 71.820 69.460 2.360 18415 2433 1 4 . 1 1 23 23 THR H H 23 8.250 8.250 8.605 -0.355 18415 2434 1 4 . 1 1 24 24 TRP N N 24 126.345 126.345 125.597 0.748 18415 2435 1 4 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.700 -0.670 18415 2436 1 4 . 1 1 24 24 TRP C C 24 178.204 178.204 177.303 0.901 18415 2437 1 4 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.852 2.729 18415 2438 1 4 . 1 1 24 24 TRP CB C 24 30.654 30.654 28.992 1.662 18415 2439 1 4 . 1 1 24 24 TRP H H 24 8.279 8.279 8.097 0.182 18415 2440 1 4 . 1 1 25 25 ALA N N 25 119.965 119.965 120.690 -0.725 18415 2441 1 4 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.954 -0.006 18415 2442 1 4 . 1 1 25 25 ALA C C 25 182.089 182.089 179.708 2.381 18415 2443 1 4 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.268 0.622 18415 2444 1 4 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.062 0.193 18415 2445 1 4 . 1 1 25 25 ALA H H 25 9.634 9.634 7.707 1.927 18415 2446 1 4 . 1 1 26 26 GLU N N 26 116.492 116.492 118.198 -1.706 18415 2447 1 4 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.093 -0.030 18415 2448 1 4 . 1 1 26 26 GLU C C 26 179.756 179.756 179.117 0.639 18415 2449 1 4 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.522 -0.227 18415 2450 1 4 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.197 1.286 18415 2451 1 4 . 1 1 26 26 GLU H H 26 7.392 7.392 7.802 -0.410 18415 2452 1 4 . 1 1 27 27 SER N N 27 121.197 121.197 116.335 4.862 18415 2453 1 4 . 1 1 27 27 SER HA H 27 3.855 3.855 4.069 -0.214 18415 2454 1 4 . 1 1 27 27 SER C C 27 174.299 174.299 176.070 -1.771 18415 2455 1 4 . 1 1 27 27 SER CA C 27 63.344 63.344 62.625 0.719 18415 2456 1 4 . 1 1 27 27 SER CB C 27 62.329 62.329 62.719 -0.390 18415 2457 1 4 . 1 1 27 27 SER H H 27 8.596 8.596 8.547 0.049 18415 2458 1 4 . 1 1 28 28 GLU N N 28 124.173 124.173 121.084 3.089 18415 2459 1 4 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.821 0.447 18415 2460 1 4 . 1 1 28 28 GLU C C 28 178.856 178.856 178.512 0.344 18415 2461 1 4 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.485 -0.286 18415 2462 1 4 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.267 -2.367 18415 2463 1 4 . 1 1 28 28 GLU H H 28 8.133 8.133 7.505 0.628 18415 2464 1 4 . 1 1 29 29 ARG N N 29 120.498 120.498 119.455 1.043 18415 2465 1 4 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.092 -0.049 18415 2466 1 4 . 1 1 29 29 ARG C C 29 179.339 179.339 178.521 0.818 18415 2467 1 4 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.528 1.163 18415 2468 1 4 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.001 0.234 18415 2469 1 4 . 1 1 29 29 ARG H H 29 7.962 7.962 7.620 0.342 18415 2470 1 4 . 1 1 30 30 ASN N N 30 119.000 119.000 116.588 2.412 18415 2471 1 4 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.666 -0.219 18415 2472 1 4 . 1 1 30 30 ASN C C 30 178.153 178.153 175.854 2.299 18415 2473 1 4 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.941 2.709 18415 2474 1 4 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.633 0.803 18415 2475 1 4 . 1 1 30 30 ASN H H 30 7.960 7.960 8.113 -0.153 18415 2476 1 4 . 1 1 31 31 CYS N N 31 116.301 116.301 116.467 -0.166 18415 2477 1 4 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.685 -0.204 18415 2478 1 4 . 1 1 31 31 CYS C C 31 178.072 178.072 176.105 1.967 18415 2479 1 4 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.802 -3.392 18415 2480 1 4 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.713 5.996 18415 2481 1 4 . 1 1 31 31 CYS H H 31 8.477 8.477 7.799 0.678 18415 2482 1 4 . 1 1 32 32 SER N N 32 119.834 119.834 115.071 4.763 18415 2483 1 4 . 1 1 32 32 SER HA H 32 4.700 4.700 4.237 0.463 18415 2484 1 4 . 1 1 32 32 SER C C 32 179.062 179.062 176.297 2.765 18415 2485 1 4 . 1 1 32 32 SER CA C 32 61.663 61.663 61.097 0.566 18415 2486 1 4 . 1 1 32 32 SER CB C 32 62.655 62.655 61.672 0.983 18415 2487 1 4 . 1 1 32 32 SER H H 32 9.206 9.206 9.269 -0.063 18415 2488 1 4 . 1 1 33 33 GLY N N 33 111.632 111.632 111.128 0.504 18415 2489 1 4 . 1 1 33 33 GLY C C 33 174.861 174.861 174.899 -0.038 18415 2490 1 4 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.288 -0.621 18415 2491 1 4 . 1 1 33 33 GLY H H 33 8.053 8.053 8.320 -0.267 18415 2492 1 4 . 1 1 34 34 MET N N 34 116.998 116.998 116.362 0.636 18415 2493 1 4 . 1 1 34 34 MET HA H 34 4.596 4.596 4.751 -0.155 18415 2494 1 4 . 1 1 34 34 MET C C 34 175.356 175.356 176.643 -1.287 18415 2495 1 4 . 1 1 34 34 MET CA C 34 54.887 54.887 54.499 0.388 18415 2496 1 4 . 1 1 34 34 MET CB C 34 33.959 33.959 32.641 1.319 18415 2497 1 4 . 1 1 34 34 MET H H 34 7.441 7.441 7.647 -0.206 18415 2498 1 4 . 1 1 35 35 GLY N N 35 106.474 106.474 106.470 0.004 18415 2499 1 4 . 1 1 35 35 GLY C C 35 173.112 173.112 173.594 -0.482 18415 2500 1 4 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.466 -0.065 18415 2501 1 4 . 1 1 35 35 GLY H H 35 7.807 7.807 7.780 0.027 18415 2502 1 4 . 1 1 36 36 ALA N N 36 121.833 121.833 122.787 -0.954 18415 2503 1 4 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.710 -0.008 18415 2504 1 4 . 1 1 36 36 ALA C C 36 174.285 174.285 175.849 -1.564 18415 2505 1 4 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.011 -1.290 18415 2506 1 4 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.241 3.421 18415 2507 1 4 . 1 1 36 36 ALA H H 36 7.693 7.693 7.671 0.022 18415 2508 1 4 . 1 1 37 37 HIS N N 37 111.683 111.683 122.009 -10.326 18415 2509 1 4 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.002 0.129 18415 2510 1 4 . 1 1 37 37 HIS C C 37 175.351 175.351 174.853 0.498 18415 2511 1 4 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.779 -0.206 18415 2512 1 4 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.876 1.095 18415 2513 1 4 . 1 1 37 37 HIS H H 37 8.078 8.078 9.055 -0.977 18415 2514 1 4 . 1 1 38 38 LEU N N 38 123.260 123.260 123.520 -0.260 18415 2515 1 4 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.391 0.383 18415 2516 1 4 . 1 1 38 38 LEU C C 38 179.180 179.180 177.774 1.406 18415 2517 1 4 . 1 1 38 38 LEU CA C 38 56.366 56.366 56.432 -0.066 18415 2518 1 4 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.195 1.461 18415 2519 1 4 . 1 1 38 38 LEU H H 38 9.964 9.964 8.230 1.734 18415 2520 1 4 . 1 1 39 39 MET N N 39 119.511 119.511 125.850 -6.339 18415 2521 1 4 . 1 1 39 39 MET HA H 39 3.855 3.855 4.360 -0.505 18415 2522 1 4 . 1 1 39 39 MET C C 39 174.874 174.874 175.416 -0.542 18415 2523 1 4 . 1 1 39 39 MET CA C 39 58.789 58.789 55.510 3.279 18415 2524 1 4 . 1 1 39 39 MET CB C 39 34.405 34.405 31.834 2.571 18415 2525 1 4 . 1 1 39 39 MET H H 39 8.409 8.409 8.860 -0.451 18415 2526 1 4 . 1 1 40 40 THR N N 40 123.771 123.771 119.666 4.105 18415 2527 1 4 . 1 1 40 40 THR HA H 40 4.013 4.013 4.546 -0.533 18415 2528 1 4 . 1 1 40 40 THR C C 40 172.936 172.936 173.957 -1.021 18415 2529 1 4 . 1 1 40 40 THR CA C 40 59.869 59.869 59.898 -0.029 18415 2530 1 4 . 1 1 40 40 THR CB C 40 70.587 70.587 67.746 2.841 18415 2531 1 4 . 1 1 40 40 THR H H 40 6.822 6.822 8.206 -1.384 18415 2532 1 4 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.082 0.167 18415 2533 1 4 . 1 1 41 41 ILE C C 41 174.349 174.349 176.057 -1.708 18415 2534 1 4 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.429 -2.672 18415 2535 1 4 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.839 1.732 18415 2536 1 4 . 1 1 42 42 SER N N 42 122.113 122.113 122.914 -0.801 18415 2537 1 4 . 1 1 42 42 SER HA H 42 4.647 4.647 4.397 0.250 18415 2538 1 4 . 1 1 42 42 SER C C 42 174.502 174.502 174.098 0.404 18415 2539 1 4 . 1 1 42 42 SER CA C 42 59.768 59.768 60.077 -0.309 18415 2540 1 4 . 1 1 42 42 SER CB C 42 64.720 64.720 64.277 0.443 18415 2541 1 4 . 1 1 42 42 SER H H 42 9.230 9.230 9.402 -0.172 18415 2542 1 4 . 1 1 43 43 THR N N 43 108.516 108.516 111.888 -3.372 18415 2543 1 4 . 1 1 43 43 THR HA H 43 4.807 4.807 4.745 0.062 18415 2544 1 4 . 1 1 43 43 THR C C 43 173.812 173.812 174.513 -0.701 18415 2545 1 4 . 1 1 43 43 THR CA C 43 59.249 59.249 59.995 -0.746 18415 2546 1 4 . 1 1 43 43 THR CB C 43 73.128 73.128 72.116 1.012 18415 2547 1 4 . 1 1 43 43 THR H H 43 7.559 7.559 8.108 -0.549 18415 2548 1 4 . 1 1 44 44 GLU N N 44 123.057 123.057 123.619 -0.562 18415 2549 1 4 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.039 -0.590 18415 2550 1 4 . 1 1 44 44 GLU C C 44 178.262 178.262 177.872 0.390 18415 2551 1 4 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.803 -0.474 18415 2552 1 4 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.608 0.834 18415 2553 1 4 . 1 1 44 44 GLU H H 44 9.377 9.377 9.105 0.272 18415 2554 1 4 . 1 1 45 45 ALA N N 45 119.910 119.910 122.530 -2.620 18415 2555 1 4 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.178 -0.128 18415 2556 1 4 . 1 1 45 45 ALA C C 45 180.096 180.096 179.467 0.629 18415 2557 1 4 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.988 0.192 18415 2558 1 4 . 1 1 45 45 ALA CB C 45 18.267 18.267 17.976 0.291 18415 2559 1 4 . 1 1 45 45 ALA H H 45 8.328 8.328 8.489 -0.161 18415 2560 1 4 . 1 1 46 46 GLU N N 46 118.861 118.861 118.993 -0.132 18415 2561 1 4 . 1 1 46 46 GLU HA H 46 3.612 3.612 2.898 0.714 18415 2562 1 4 . 1 1 46 46 GLU C C 46 177.452 177.452 178.222 -0.770 18415 2563 1 4 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.134 0.150 18415 2564 1 4 . 1 1 46 46 GLU CB C 46 30.513 30.513 28.933 1.580 18415 2565 1 4 . 1 1 46 46 GLU H H 46 7.852 7.852 7.523 0.329 18415 2566 1 4 . 1 1 47 47 GLN N N 47 119.473 119.473 118.681 0.792 18415 2567 1 4 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.868 -0.181 18415 2568 1 4 . 1 1 47 47 GLN C C 47 176.429 176.429 178.279 -1.850 18415 2569 1 4 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.836 1.072 18415 2570 1 4 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.280 1.696 18415 2571 1 4 . 1 1 47 47 GLN H H 47 7.054 7.054 7.660 -0.606 18415 2572 1 4 . 1 1 48 48 ASN N N 48 115.182 115.182 117.446 -2.264 18415 2573 1 4 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.219 -0.006 18415 2574 1 4 . 1 1 48 48 ASN C C 48 176.986 176.986 177.595 -0.609 18415 2575 1 4 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.755 -0.726 18415 2576 1 4 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.151 -0.593 18415 2577 1 4 . 1 1 48 48 ASN H H 48 8.416 8.416 8.102 0.314 18415 2578 1 4 . 1 1 49 49 PHE N N 49 118.413 118.413 117.360 1.053 18415 2579 1 4 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.171 -0.192 18415 2580 1 4 . 1 1 49 49 PHE C C 49 177.254 177.254 176.821 0.433 18415 2581 1 4 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.816 -0.654 18415 2582 1 4 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.513 -1.430 18415 2583 1 4 . 1 1 49 49 PHE H H 49 7.473 7.473 7.899 -0.426 18415 2584 1 4 . 1 1 50 50 ILE N N 50 117.601 117.601 120.375 -2.774 18415 2585 1 4 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.986 -0.445 18415 2586 1 4 . 1 1 50 50 ILE C C 50 176.891 176.891 176.861 0.030 18415 2587 1 4 . 1 1 50 50 ILE CA C 50 59.652 59.652 61.949 -2.297 18415 2588 1 4 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.437 0.772 18415 2589 1 4 . 1 1 50 50 ILE H H 50 7.020 7.020 7.590 -0.570 18415 2590 1 4 . 1 1 51 51 ILE N N 51 114.824 114.824 115.370 -0.546 18415 2591 1 4 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.737 0.156 18415 2592 1 4 . 1 1 51 51 ILE C C 51 177.092 177.092 176.267 0.825 18415 2593 1 4 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.461 0.743 18415 2594 1 4 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.549 0.371 18415 2595 1 4 . 1 1 51 51 ILE H H 51 7.216 7.216 7.252 -0.036 18415 2596 1 4 . 1 1 52 52 GLN N N 52 116.767 116.767 116.776 -0.009 18415 2597 1 4 . 1 1 52 52 GLN HA H 52 3.770 3.770 4.061 -0.291 18415 2598 1 4 . 1 1 52 52 GLN C C 52 176.442 176.442 177.195 -0.753 18415 2599 1 4 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.242 0.028 18415 2600 1 4 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.383 0.637 18415 2601 1 4 . 1 1 52 52 GLN H H 52 6.416 6.416 7.212 -0.796 18415 2602 1 4 . 1 1 53 53 PHE N N 53 115.400 115.400 119.319 -3.919 18415 2603 1 4 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.449 0.128 18415 2604 1 4 . 1 1 53 53 PHE C C 53 174.993 174.993 176.115 -1.122 18415 2605 1 4 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.810 -1.915 18415 2606 1 4 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.719 -0.187 18415 2607 1 4 . 1 1 53 53 PHE H H 53 7.216 7.216 7.295 -0.079 18415 2608 1 4 . 1 1 54 54 LEU N N 54 118.096 118.096 119.287 -1.191 18415 2609 1 4 . 1 1 54 54 LEU HA H 54 4.091 4.091 4.110 -0.019 18415 2610 1 4 . 1 1 54 54 LEU C C 54 175.467 175.467 176.226 -0.759 18415 2611 1 4 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.174 -0.603 18415 2612 1 4 . 1 1 54 54 LEU CB C 54 41.707 41.707 42.064 -0.357 18415 2613 1 4 . 1 1 54 54 LEU H H 54 6.668 6.668 7.201 -0.533 18415 2614 1 4 . 1 1 55 55 ASP N N 55 123.723 123.723 121.279 2.444 18415 2615 1 4 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.665 0.150 18415 2616 1 4 . 1 1 55 55 ASP C C 55 177.896 177.896 176.421 1.475 18415 2617 1 4 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.630 -1.532 18415 2618 1 4 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.733 -0.072 18415 2619 1 4 . 1 1 55 55 ASP H H 55 8.687 8.687 8.534 0.153 18415 2620 1 4 . 1 1 56 56 ARG N N 56 124.370 124.370 122.503 1.867 18415 2621 1 4 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.156 0.154 18415 2622 1 4 . 1 1 56 56 ARG C C 56 178.201 178.201 175.457 2.744 18415 2623 1 4 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.025 2.933 18415 2624 1 4 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.461 2.117 18415 2625 1 4 . 1 1 56 56 ARG H H 56 8.758 8.758 8.524 0.234 18415 2626 1 4 . 1 1 57 57 ARG N N 57 120.411 120.411 118.148 2.263 18415 2627 1 4 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.421 -0.127 18415 2628 1 4 . 1 1 57 57 ARG C C 57 177.064 177.064 175.444 1.620 18415 2629 1 4 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.160 1.372 18415 2630 1 4 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.123 -1.431 18415 2631 1 4 . 1 1 57 57 ARG H H 57 9.150 9.150 8.086 1.064 18415 2632 1 4 . 1 1 58 58 LEU N N 58 119.445 119.445 121.989 -2.544 18415 2633 1 4 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.175 0.529 18415 2634 1 4 . 1 1 58 58 LEU C C 58 176.450 176.450 176.084 0.366 18415 2635 1 4 . 1 1 58 58 LEU CA C 58 54.279 54.279 55.122 -0.843 18415 2636 1 4 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.199 1.059 18415 2637 1 4 . 1 1 58 58 LEU H H 58 8.328 8.328 8.937 -0.609 18415 2638 1 4 . 1 1 59 59 SER N N 59 116.536 116.536 114.884 1.652 18415 2639 1 4 . 1 1 59 59 SER HA H 59 5.505 5.505 4.807 0.698 18415 2640 1 4 . 1 1 59 59 SER C C 59 173.263 173.263 172.991 0.272 18415 2641 1 4 . 1 1 59 59 SER CA C 59 57.199 57.199 57.233 -0.034 18415 2642 1 4 . 1 1 59 59 SER CB C 59 65.064 65.064 64.220 0.844 18415 2643 1 4 . 1 1 59 59 SER H H 59 8.470 8.470 8.294 0.176 18415 2644 1 4 . 1 1 60 60 TYR N N 60 120.274 120.274 122.523 -2.249 18415 2645 1 4 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.812 -0.535 18415 2646 1 4 . 1 1 60 60 TYR C C 60 175.560 175.560 175.681 -0.121 18415 2647 1 4 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.501 -0.029 18415 2648 1 4 . 1 1 60 60 TYR CB C 60 41.507 41.507 40.121 1.386 18415 2649 1 4 . 1 1 60 60 TYR H H 60 8.897 8.897 8.783 0.114 18415 2650 1 4 . 1 1 61 61 PHE N N 61 123.635 123.635 123.186 0.449 18415 2651 1 4 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.777 0.511 18415 2652 1 4 . 1 1 61 61 PHE C C 61 175.433 175.433 175.504 -0.071 18415 2653 1 4 . 1 1 61 61 PHE CA C 61 61.075 61.075 59.930 1.145 18415 2654 1 4 . 1 1 61 61 PHE CB C 61 40.869 40.869 38.885 1.984 18415 2655 1 4 . 1 1 61 61 PHE H H 61 9.521 9.521 9.111 0.410 18415 2656 1 4 . 1 1 62 62 LEU N N 62 114.382 114.382 121.654 -7.272 18415 2657 1 4 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.856 0.217 18415 2658 1 4 . 1 1 62 62 LEU C C 62 179.521 179.521 177.666 1.855 18415 2659 1 4 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.215 -1.432 18415 2660 1 4 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.723 1.553 18415 2661 1 4 . 1 1 62 62 LEU H H 62 8.394 8.394 8.084 0.310 18415 2662 1 4 . 1 1 63 63 GLY N N 63 106.675 106.675 108.778 -2.103 18415 2663 1 4 . 1 1 63 63 GLY C C 63 172.404 172.404 173.450 -1.046 18415 2664 1 4 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.469 2.924 18415 2665 1 4 . 1 1 63 63 GLY H H 63 9.253 9.253 8.995 0.258 18415 2666 1 4 . 1 1 64 64 LEU N N 64 124.754 124.754 121.342 3.412 18415 2667 1 4 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.668 -0.084 18415 2668 1 4 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.439 0.863 18415 2669 1 4 . 1 1 64 64 LEU CB C 64 43.272 43.272 41.449 1.823 18415 2670 1 4 . 1 1 64 64 LEU H H 64 6.840 6.840 7.744 -0.904 18415 2671 1 4 . 1 1 65 65 ARG N N 65 124.476 124.476 124.834 -0.358 18415 2672 1 4 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.148 1.012 18415 2673 1 4 . 1 1 65 65 ARG C C 65 174.245 174.245 173.761 0.484 18415 2674 1 4 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.766 0.138 18415 2675 1 4 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.038 1.493 18415 2676 1 4 . 1 1 65 65 ARG H H 65 8.218 8.218 9.143 -0.925 18415 2677 1 4 . 1 1 66 66 ASP N N 66 126.754 126.754 126.238 0.516 18415 2678 1 4 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.551 -0.122 18415 2679 1 4 . 1 1 66 66 ASP C C 66 176.516 176.516 175.338 1.178 18415 2680 1 4 . 1 1 66 66 ASP CA C 66 51.854 51.854 51.623 0.231 18415 2681 1 4 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.072 -2.304 18415 2682 1 4 . 1 1 66 66 ASP H H 66 8.756 8.756 7.713 1.043 18415 2683 1 4 . 1 1 67 67 GLU N N 67 123.390 123.390 124.864 -1.474 18415 2684 1 4 . 1 1 67 67 GLU HA H 67 3.776 3.776 3.775 0.001 18415 2685 1 4 . 1 1 67 67 GLU C C 67 175.648 175.648 176.550 -0.902 18415 2686 1 4 . 1 1 67 67 GLU CA C 67 58.848 58.848 60.023 -1.175 18415 2687 1 4 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.904 0.412 18415 2688 1 4 . 1 1 67 67 GLU H H 67 8.488 8.488 8.526 -0.038 18415 2689 1 4 . 1 1 68 68 ASN N N 68 114.882 114.882 116.612 -1.730 18415 2690 1 4 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.669 -0.005 18415 2691 1 4 . 1 1 68 68 ASN C C 68 174.482 174.482 173.989 0.493 18415 2692 1 4 . 1 1 68 68 ASN CA C 68 52.914 52.914 52.021 0.893 18415 2693 1 4 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.737 0.675 18415 2694 1 4 . 1 1 68 68 ASN H H 68 8.336 8.336 8.153 0.183 18415 2695 1 4 . 1 1 69 69 ALA N N 69 118.915 118.915 121.819 -2.904 18415 2696 1 4 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.151 -0.277 18415 2697 1 4 . 1 1 69 69 ALA C C 69 177.082 177.082 177.189 -0.107 18415 2698 1 4 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.877 0.755 18415 2699 1 4 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.377 0.794 18415 2700 1 4 . 1 1 69 69 ALA H H 69 7.444 7.444 7.960 -0.516 18415 2701 1 4 . 1 1 70 70 LYS N N 70 117.439 117.439 120.632 -3.193 18415 2702 1 4 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.195 0.123 18415 2703 1 4 . 1 1 70 70 LYS C C 70 177.726 177.726 178.477 -0.751 18415 2704 1 4 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.692 -1.269 18415 2705 1 4 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.888 -0.152 18415 2706 1 4 . 1 1 70 70 LYS H H 70 7.925 7.925 8.518 -0.593 18415 2707 1 4 . 1 1 71 71 GLY C C 71 175.127 175.127 173.907 1.220 18415 2708 1 4 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.998 -0.324 18415 2709 1 4 . 1 1 72 72 GLN N N 72 124.084 124.084 122.765 1.319 18415 2710 1 4 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.408 -0.017 18415 2711 1 4 . 1 1 72 72 GLN C C 72 174.283 174.283 175.657 -1.374 18415 2712 1 4 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.993 -0.836 18415 2713 1 4 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.715 -0.082 18415 2714 1 4 . 1 1 72 72 GLN H H 72 7.749 7.749 7.737 0.012 18415 2715 1 4 . 1 1 73 73 TRP N N 73 121.803 121.803 125.508 -3.705 18415 2716 1 4 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.330 -0.425 18415 2717 1 4 . 1 1 73 73 TRP C C 73 175.776 175.776 176.575 -0.799 18415 2718 1 4 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.746 -1.925 18415 2719 1 4 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.886 -1.010 18415 2720 1 4 . 1 1 73 73 TRP H H 73 6.599 6.599 7.999 -1.400 18415 2721 1 4 . 1 1 74 74 ARG N N 74 119.549 119.549 115.511 4.038 18415 2722 1 4 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.849 -0.143 18415 2723 1 4 . 1 1 74 74 ARG C C 74 176.980 176.980 174.802 2.178 18415 2724 1 4 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.494 -1.161 18415 2725 1 4 . 1 1 74 74 ARG CB C 74 34.623 34.623 32.978 1.645 18415 2726 1 4 . 1 1 74 74 ARG H H 74 8.443 8.443 8.119 0.324 18415 2727 1 4 . 1 1 75 75 TRP N N 75 125.690 125.690 119.240 6.450 18415 2728 1 4 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.548 -0.121 18415 2729 1 4 . 1 1 75 75 TRP C C 75 180.474 180.474 177.667 2.807 18415 2730 1 4 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.522 -1.756 18415 2731 1 4 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.337 0.693 18415 2732 1 4 . 1 1 75 75 TRP H H 75 9.052 9.052 8.910 0.142 18415 2733 1 4 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.321 -0.043 18415 2734 1 4 . 1 1 76 76 VAL C C 76 175.431 175.431 175.124 0.307 18415 2735 1 4 . 1 1 76 76 VAL CA C 76 64.564 64.564 63.101 1.463 18415 2736 1 4 . 1 1 76 76 VAL CB C 76 32.369 32.369 31.861 0.508 18415 2737 1 4 . 1 1 77 77 ASP N N 77 119.941 119.941 117.995 1.946 18415 2738 1 4 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.839 -0.861 18415 2739 1 4 . 1 1 77 77 ASP C C 77 176.293 176.293 177.199 -0.906 18415 2740 1 4 . 1 1 77 77 ASP CA C 77 52.759 52.759 54.723 -1.964 18415 2741 1 4 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.132 -0.722 18415 2742 1 4 . 1 1 77 77 ASP H H 77 8.004 8.004 8.163 -0.159 18415 2743 1 4 . 1 1 78 78 GLN N N 78 109.962 109.962 117.818 -7.856 18415 2744 1 4 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.513 -0.388 18415 2745 1 4 . 1 1 78 78 GLN C C 78 176.387 176.387 175.841 0.546 18415 2746 1 4 . 1 1 78 78 GLN CA C 78 57.792 57.792 55.710 2.082 18415 2747 1 4 . 1 1 78 78 GLN CB C 78 26.101 26.101 31.196 -5.095 18415 2748 1 4 . 1 1 78 78 GLN H H 78 8.124 8.124 8.240 -0.116 18415 2749 1 4 . 1 1 79 79 THR N N 79 121.656 121.656 121.247 0.409 18415 2750 1 4 . 1 1 79 79 THR HA H 79 4.250 4.250 4.492 -0.242 18415 2751 1 4 . 1 1 79 79 THR C C 79 172.901 172.901 172.935 -0.034 18415 2752 1 4 . 1 1 79 79 THR CA C 79 63.165 63.165 63.582 -0.417 18415 2753 1 4 . 1 1 79 79 THR CB C 79 69.427 69.427 68.551 0.876 18415 2754 1 4 . 1 1 79 79 THR H H 79 8.172 8.172 8.722 -0.550 18415 2755 1 4 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.573 -0.051 18415 2756 1 4 . 1 1 80 80 PRO C C 80 176.940 176.940 176.145 0.795 18415 2757 1 4 . 1 1 80 80 PRO CA C 80 63.688 63.688 63.278 0.410 18415 2758 1 4 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.236 -0.049 18415 2759 1 4 . 1 1 81 81 PHE N N 81 125.403 125.403 123.790 1.613 18415 2760 1 4 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.207 0.702 18415 2761 1 4 . 1 1 81 81 PHE C C 81 174.853 174.853 174.976 -0.123 18415 2762 1 4 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.157 -0.804 18415 2763 1 4 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.830 0.189 18415 2764 1 4 . 1 1 81 81 PHE H H 81 9.015 9.015 8.188 0.827 18415 2765 1 4 . 1 1 82 82 ASN N N 82 129.264 129.264 126.781 2.483 18415 2766 1 4 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.802 0.253 18415 2767 1 4 . 1 1 82 82 ASN C C 82 173.643 173.643 173.963 -0.320 18415 2768 1 4 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.775 -1.972 18415 2769 1 4 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.090 0.405 18415 2770 1 4 . 1 1 82 82 ASN H H 82 8.985 8.985 7.955 1.030 18415 2771 1 4 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.591 -0.588 18415 2772 1 4 . 1 1 83 83 PRO C C 83 177.123 177.123 176.336 0.787 18415 2773 1 4 . 1 1 83 83 PRO CA C 83 63.785 63.785 63.750 0.035 18415 2774 1 4 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.957 0.557 18415 2775 1 4 . 1 1 84 84 ARG N N 84 114.801 114.801 118.383 -3.582 18415 2776 1 4 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.369 -0.046 18415 2777 1 4 . 1 1 84 84 ARG C C 84 176.890 176.890 176.680 0.210 18415 2778 1 4 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.359 -0.356 18415 2779 1 4 . 1 1 84 84 ARG CB C 84 30.158 30.158 31.938 -1.780 18415 2780 1 4 . 1 1 84 84 ARG H H 84 7.697 7.697 7.681 0.016 18415 2781 1 4 . 1 1 85 85 ARG N N 85 123.958 123.958 119.877 4.081 18415 2782 1 4 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.941 0.364 18415 2783 1 4 . 1 1 85 85 ARG C C 85 173.017 173.017 174.329 -1.312 18415 2784 1 4 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.917 -1.108 18415 2785 1 4 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.414 -0.374 18415 2786 1 4 . 1 1 85 85 ARG H H 85 7.596 7.596 7.815 -0.219 18415 2787 1 4 . 1 1 86 86 VAL N N 86 110.039 110.039 120.895 -10.856 18415 2788 1 4 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.372 0.427 18415 2789 1 4 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.174 -2.908 18415 2790 1 4 . 1 1 86 86 VAL CB C 86 34.226 34.226 31.675 2.551 18415 2791 1 4 . 1 1 86 86 VAL H H 86 6.570 6.570 7.266 -0.696 18415 2792 1 4 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.157 0.165 18415 2793 1 4 . 1 1 87 87 PHE C C 87 173.471 173.471 174.529 -1.058 18415 2794 1 4 . 1 1 87 87 PHE CA C 87 55.377 55.377 56.075 -0.698 18415 2795 1 4 . 1 1 87 87 PHE CB C 87 37.384 37.384 35.859 1.525 18415 2796 1 4 . 1 1 88 88 TRP N N 88 118.538 118.538 122.714 -4.176 18415 2797 1 4 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.597 0.205 18415 2798 1 4 . 1 1 88 88 TRP C C 88 179.297 179.297 177.489 1.808 18415 2799 1 4 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.151 0.086 18415 2800 1 4 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.378 1.172 18415 2801 1 4 . 1 1 88 88 TRP H H 88 6.633 6.633 7.841 -1.208 18415 2802 1 4 . 1 1 89 89 HIS N N 89 122.693 122.693 122.135 0.558 18415 2803 1 4 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.337 0.034 18415 2804 1 4 . 1 1 89 89 HIS C C 89 175.621 175.621 175.629 -0.008 18415 2805 1 4 . 1 1 89 89 HIS CA C 89 58.121 58.121 59.442 -1.321 18415 2806 1 4 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.777 1.935 18415 2807 1 4 . 1 1 89 89 HIS H H 89 9.473 9.473 8.955 0.518 18415 2808 1 4 . 1 1 90 90 LYS N N 90 120.826 120.826 116.448 4.378 18415 2809 1 4 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.307 -0.196 18415 2810 1 4 . 1 1 90 90 LYS C C 90 177.228 177.228 175.356 1.872 18415 2811 1 4 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.481 0.761 18415 2812 1 4 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.362 0.120 18415 2813 1 4 . 1 1 90 90 LYS H H 90 8.741 8.741 8.005 0.736 18415 2814 1 4 . 1 1 91 91 ASN N N 91 117.166 117.166 117.173 -0.007 18415 2815 1 4 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.773 -0.457 18415 2816 1 4 . 1 1 91 91 ASN C C 91 173.391 173.391 174.001 -0.610 18415 2817 1 4 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.686 1.649 18415 2818 1 4 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.935 -2.550 18415 2819 1 4 . 1 1 91 91 ASN H H 91 8.906 8.906 8.607 0.299 18415 2820 1 4 . 1 1 92 92 GLU N N 92 116.991 116.991 120.726 -3.735 18415 2821 1 4 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.676 -0.389 18415 2822 1 4 . 1 1 92 92 GLU C C 92 173.188 173.188 174.284 -1.096 18415 2823 1 4 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.327 -0.056 18415 2824 1 4 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.773 0.681 18415 2825 1 4 . 1 1 92 92 GLU H H 92 7.738 7.738 8.160 -0.422 18415 2826 1 4 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.697 -0.053 18415 2827 1 4 . 1 1 95 95 ASN C C 95 175.699 175.699 175.142 0.557 18415 2828 1 4 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.765 -0.306 18415 2829 1 4 . 1 1 95 95 ASN CB C 95 38.725 38.725 40.734 -2.009 18415 2830 1 4 . 1 1 96 96 SER N N 96 116.489 116.489 119.541 -3.052 18415 2831 1 4 . 1 1 96 96 SER HA H 96 4.405 4.405 4.356 0.049 18415 2832 1 4 . 1 1 96 96 SER C C 96 174.831 174.831 173.940 0.891 18415 2833 1 4 . 1 1 96 96 SER CA C 96 58.753 58.753 59.688 -0.935 18415 2834 1 4 . 1 1 96 96 SER CB C 96 64.216 64.216 62.366 1.850 18415 2835 1 4 . 1 1 96 96 SER H H 96 8.118 8.118 8.846 -0.728 18415 2836 1 4 . 1 1 97 97 GLN N N 97 121.023 121.023 126.457 -5.434 18415 2837 1 4 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.116 0.136 18415 2838 1 4 . 1 1 97 97 GLN C C 97 176.063 176.063 175.614 0.449 18415 2839 1 4 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.226 -0.269 18415 2840 1 4 . 1 1 97 97 GLN CB C 97 29.528 29.528 27.782 1.746 18415 2841 1 4 . 1 1 97 97 GLN H H 97 8.371 8.371 8.394 -0.023 18415 2842 1 4 . 1 1 98 98 GLY N N 98 110.498 110.498 112.070 -1.572 18415 2843 1 4 . 1 1 98 98 GLY C C 98 172.460 172.460 173.358 -0.898 18415 2844 1 4 . 1 1 98 98 GLY CA C 98 44.936 44.936 44.859 0.077 18415 2845 1 4 . 1 1 98 98 GLY H H 98 8.080 8.080 7.916 0.164 18415 2846 1 4 . 1 1 99 99 GLU N N 99 119.919 119.919 120.769 -0.850 18415 2847 1 4 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.783 0.488 18415 2848 1 4 . 1 1 99 99 GLU C C 99 176.605 176.605 174.749 1.856 18415 2849 1 4 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.889 -0.381 18415 2850 1 4 . 1 1 99 99 GLU CB C 99 29.469 29.469 28.007 1.462 18415 2851 1 4 . 1 1 99 99 GLU H H 99 8.004 8.004 8.058 -0.054 18415 2852 1 4 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.969 0.311 18415 2853 1 4 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.257 2.124 18415 2854 1 4 . 1 1 100 100 ASN CB C 100 41.917 41.917 38.867 3.050 18415 2855 1 4 . 1 1 101 101 CYS N N 101 121.118 121.118 120.696 0.422 18415 2856 1 4 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.848 0.642 18415 2857 1 4 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.265 1.073 18415 2858 1 4 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.979 12.799 18415 2859 1 4 . 1 1 101 101 CYS H H 101 9.707 9.707 8.552 1.155 18415 2860 1 4 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.784 -0.598 18415 2861 1 4 . 1 1 102 102 VAL C C 102 175.530 175.530 174.641 0.889 18415 2862 1 4 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.711 3.322 18415 2863 1 4 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.774 1.380 18415 2864 1 4 . 1 1 103 103 VAL N N 103 115.890 115.890 121.299 -5.409 18415 2865 1 4 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.771 0.577 18415 2866 1 4 . 1 1 103 103 VAL C C 103 175.136 175.136 174.279 0.857 18415 2867 1 4 . 1 1 103 103 VAL CA C 103 57.737 57.737 60.315 -2.578 18415 2868 1 4 . 1 1 103 103 VAL CB C 103 35.134 35.134 36.592 -1.458 18415 2869 1 4 . 1 1 103 103 VAL H H 103 8.698 8.698 8.303 0.395 18415 2870 1 4 . 1 1 104 104 LEU N N 104 124.477 124.477 129.995 -5.518 18415 2871 1 4 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.237 -0.261 18415 2872 1 4 . 1 1 104 104 LEU C C 104 176.248 176.248 175.425 0.823 18415 2873 1 4 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.827 0.166 18415 2874 1 4 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.595 2.247 18415 2875 1 4 . 1 1 104 104 LEU H H 104 9.453 9.453 9.277 0.176 18415 2876 1 4 . 1 1 105 105 VAL N N 105 123.109 123.109 128.037 -4.928 18415 2877 1 4 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.987 0.028 18415 2878 1 4 . 1 1 105 105 VAL C C 105 173.635 173.635 173.442 0.193 18415 2879 1 4 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.132 2.101 18415 2880 1 4 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.659 0.975 18415 2881 1 4 . 1 1 105 105 VAL H H 105 9.477 9.477 9.238 0.239 18415 2882 1 4 . 1 1 106 106 TYR N N 106 136.491 136.491 129.004 7.487 18415 2883 1 4 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.247 0.218 18415 2884 1 4 . 1 1 106 106 TYR C C 106 175.009 175.009 173.234 1.775 18415 2885 1 4 . 1 1 106 106 TYR CA C 106 57.049 57.049 56.861 0.188 18415 2886 1 4 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.529 0.422 18415 2887 1 4 . 1 1 106 106 TYR H H 106 9.509 9.509 7.869 1.640 18415 2888 1 4 . 1 1 107 107 ASN N N 107 124.433 124.433 124.204 0.229 18415 2889 1 4 . 1 1 107 107 ASN HA H 107 4.550 4.550 5.009 -0.459 18415 2890 1 4 . 1 1 107 107 ASN C C 107 173.919 173.919 173.939 -0.020 18415 2891 1 4 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.601 0.008 18415 2892 1 4 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.398 -0.388 18415 2893 1 4 . 1 1 107 107 ASN H H 107 8.329 8.329 8.493 -0.164 18415 2894 1 4 . 1 1 108 108 GLN N N 108 119.681 119.681 122.812 -3.131 18415 2895 1 4 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.962 -0.308 18415 2896 1 4 . 1 1 108 108 GLN C C 108 175.060 175.060 175.127 -0.067 18415 2897 1 4 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.871 0.735 18415 2898 1 4 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.884 -0.620 18415 2899 1 4 . 1 1 108 108 GLN H H 108 8.558 8.558 8.981 -0.423 18415 2900 1 4 . 1 1 109 109 ASP N N 109 109.712 109.712 111.038 -1.326 18415 2901 1 4 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.112 -0.135 18415 2902 1 4 . 1 1 109 109 ASP C C 109 174.354 174.354 174.749 -0.395 18415 2903 1 4 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.237 -0.038 18415 2904 1 4 . 1 1 109 109 ASP CB C 109 40.026 40.026 39.882 0.144 18415 2905 1 4 . 1 1 109 109 ASP H H 109 8.199 8.199 8.665 -0.466 18415 2906 1 4 . 1 1 110 110 LYS N N 110 115.590 115.590 114.084 1.506 18415 2907 1 4 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.278 0.274 18415 2908 1 4 . 1 1 110 110 LYS C C 110 174.674 174.674 174.559 0.115 18415 2909 1 4 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.383 1.085 18415 2910 1 4 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.909 0.680 18415 2911 1 4 . 1 1 110 110 LYS H H 110 7.081 7.081 7.064 0.017 18415 2912 1 4 . 1 1 111 111 TRP N N 111 122.248 122.248 121.877 0.371 18415 2913 1 4 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.358 -0.285 18415 2914 1 4 . 1 1 111 111 TRP C C 111 175.920 175.920 176.776 -0.856 18415 2915 1 4 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.970 -0.781 18415 2916 1 4 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.445 0.424 18415 2917 1 4 . 1 1 111 111 TRP H H 111 8.650 8.650 8.401 0.249 18415 2918 1 4 . 1 1 112 112 ALA N N 112 124.184 124.184 123.242 0.942 18415 2919 1 4 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.538 -0.370 18415 2920 1 4 . 1 1 112 112 ALA C C 112 174.995 174.995 175.280 -0.285 18415 2921 1 4 . 1 1 112 112 ALA CA C 112 52.315 52.315 52.159 0.156 18415 2922 1 4 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.267 -4.385 18415 2923 1 4 . 1 1 112 112 ALA H H 112 8.790 8.790 9.091 -0.301 18415 2924 1 4 . 1 1 113 113 TRP N N 113 118.725 118.725 119.857 -1.132 18415 2925 1 4 . 1 1 113 113 TRP HA H 113 6.156 6.156 6.073 0.083 18415 2926 1 4 . 1 1 113 113 TRP C C 113 177.471 177.471 176.545 0.926 18415 2927 1 4 . 1 1 113 113 TRP CA C 113 54.615 54.615 53.849 0.767 18415 2928 1 4 . 1 1 113 113 TRP CB C 113 32.374 32.374 30.431 1.943 18415 2929 1 4 . 1 1 113 113 TRP H H 113 8.969 8.969 8.638 0.331 18415 2930 1 4 . 1 1 114 114 ASN N N 114 120.479 120.479 117.400 3.079 18415 2931 1 4 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.192 0.298 18415 2932 1 4 . 1 1 114 114 ASN C C 114 174.708 174.708 173.671 1.037 18415 2933 1 4 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.862 -0.104 18415 2934 1 4 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.689 0.329 18415 2935 1 4 . 1 1 114 114 ASN H H 114 9.518 9.518 8.537 0.981 18415 2936 1 4 . 1 1 115 115 ASP N N 115 118.209 118.209 120.842 -2.633 18415 2937 1 4 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.161 0.710 18415 2938 1 4 . 1 1 115 115 ASP C C 115 174.291 174.291 175.757 -1.466 18415 2939 1 4 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.438 -2.252 18415 2940 1 4 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.511 -1.007 18415 2941 1 4 . 1 1 115 115 ASP H H 115 8.563 8.563 8.544 0.019 18415 2942 1 4 . 1 1 116 116 VAL N N 116 118.669 118.669 120.248 -1.579 18415 2943 1 4 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.637 0.258 18415 2944 1 4 . 1 1 116 116 VAL C C 116 172.334 172.334 172.979 -0.645 18415 2945 1 4 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.325 -0.044 18415 2946 1 4 . 1 1 116 116 VAL CB C 116 34.333 34.333 35.190 -0.857 18415 2947 1 4 . 1 1 116 116 VAL H H 116 9.369 9.369 9.131 0.238 18415 2948 1 4 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.113 -0.179 18415 2949 1 4 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.392 0.683 18415 2950 1 4 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.741 0.618 18415 2951 1 4 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.169 0.281 18415 2952 1 4 . 1 1 118 118 CYS C C 118 175.583 175.583 175.961 -0.378 18415 2953 1 4 . 1 1 118 118 CYS CA C 118 58.904 58.904 61.146 -2.242 18415 2954 1 4 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.179 17.662 18415 2955 1 4 . 1 1 119 119 ASN N N 119 117.251 117.251 116.106 1.145 18415 2956 1 4 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.659 0.254 18415 2957 1 4 . 1 1 119 119 ASN C C 119 174.849 174.849 174.264 0.585 18415 2958 1 4 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.715 -0.573 18415 2959 1 4 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.826 -1.750 18415 2960 1 4 . 1 1 119 119 ASN H H 119 8.411 8.411 8.321 0.090 18415 2961 1 4 . 1 1 120 120 PHE N N 120 123.415 123.415 121.233 2.182 18415 2962 1 4 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.685 -0.139 18415 2963 1 4 . 1 1 120 120 PHE C C 120 173.156 173.156 174.484 -1.328 18415 2964 1 4 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.739 1.621 18415 2965 1 4 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.355 -0.906 18415 2966 1 4 . 1 1 120 120 PHE H H 120 8.097 8.097 7.938 0.159 18415 2967 1 4 . 1 1 121 121 GLU N N 121 119.143 119.143 124.628 -5.485 18415 2968 1 4 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.609 -0.056 18415 2969 1 4 . 1 1 121 121 GLU C C 121 174.732 174.732 174.469 0.263 18415 2970 1 4 . 1 1 121 121 GLU CA C 121 54.588 54.588 54.823 -0.235 18415 2971 1 4 . 1 1 121 121 GLU CB C 121 30.420 30.420 30.557 -0.137 18415 2972 1 4 . 1 1 121 121 GLU H H 121 7.012 7.012 7.984 -0.972 18415 2973 1 4 . 1 1 122 122 ALA N N 122 125.793 125.793 125.524 0.269 18415 2974 1 4 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.387 0.084 18415 2975 1 4 . 1 1 122 122 ALA C C 122 177.616 177.616 175.391 2.225 18415 2976 1 4 . 1 1 122 122 ALA CA C 122 51.243 51.243 51.182 0.061 18415 2977 1 4 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.090 -0.488 18415 2978 1 4 . 1 1 122 122 ALA H H 122 8.441 8.441 9.025 -0.584 18415 2979 1 4 . 1 1 123 123 SER N N 123 115.420 115.420 114.656 0.764 18415 2980 1 4 . 1 1 123 123 SER HA H 123 4.522 4.522 5.081 -0.559 18415 2981 1 4 . 1 1 123 123 SER C C 123 172.514 172.514 174.737 -2.223 18415 2982 1 4 . 1 1 123 123 SER CA C 123 60.661 60.661 57.438 3.223 18415 2983 1 4 . 1 1 123 123 SER CB C 123 62.943 62.943 63.865 -0.922 18415 2984 1 4 . 1 1 123 123 SER H H 123 7.716 7.716 7.935 -0.219 18415 2985 1 4 . 1 1 124 124 ARG N N 124 112.529 112.529 116.503 -3.974 18415 2986 1 4 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.121 0.369 18415 2987 1 4 . 1 1 124 124 ARG C C 124 173.779 173.779 174.375 -0.596 18415 2988 1 4 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.199 0.740 18415 2989 1 4 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.966 -2.041 18415 2990 1 4 . 1 1 124 124 ARG H H 124 8.840 8.840 9.109 -0.269 18415 2991 1 4 . 1 1 125 125 ILE N N 125 116.525 116.525 119.231 -2.706 18415 2992 1 4 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.902 -0.184 18415 2993 1 4 . 1 1 125 125 ILE C C 125 175.656 175.656 174.874 0.782 18415 2994 1 4 . 1 1 125 125 ILE CA C 125 60.836 60.836 58.587 2.249 18415 2995 1 4 . 1 1 125 125 ILE CB C 125 41.558 41.558 39.797 1.760 18415 2996 1 4 . 1 1 125 125 ILE H H 125 6.989 6.989 8.094 -1.105 18415 2997 1 4 . 1 1 126 126 CYS N N 126 123.910 123.910 127.764 -3.854 18415 2998 1 4 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.060 0.510 18415 2999 1 4 . 1 1 126 126 CYS C C 126 173.662 173.662 173.628 0.034 18415 3000 1 4 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.766 -5.926 18415 3001 1 4 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.731 9.410 18415 3002 1 4 . 1 1 126 126 CYS H H 126 8.288 8.288 8.891 -0.603 18415 3003 1 4 . 1 1 127 127 LYS N N 127 124.170 124.170 124.344 -0.174 18415 3004 1 4 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.419 0.200 18415 3005 1 4 . 1 1 127 127 LYS C C 127 174.637 174.637 174.624 0.013 18415 3006 1 4 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.204 1.031 18415 3007 1 4 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.408 3.110 18415 3008 1 4 . 1 1 127 127 LYS H H 127 9.681 9.681 9.404 0.277 18415 3009 1 4 . 1 1 128 128 ILE N N 128 129.226 129.226 122.739 6.487 18415 3010 1 4 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.849 0.051 18415 3011 1 4 . 1 1 128 128 ILE C C 128 172.463 172.463 172.881 -0.418 18415 3012 1 4 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.358 1.026 18415 3013 1 4 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.600 1.288 18415 3014 1 4 . 1 1 128 128 ILE H H 128 9.205 9.205 9.209 -0.004 18415 3015 1 4 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.477 0.514 18415 3016 1 4 . 1 1 129 129 PRO C C 129 177.954 177.954 176.890 1.064 18415 3017 1 4 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.780 -0.156 18415 3018 1 4 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.186 0.315 18415 3019 1 4 . 1 1 130 130 GLY N N 130 110.745 110.745 107.310 3.435 18415 3020 1 4 . 1 1 130 130 GLY C C 130 175.022 175.022 174.840 0.182 18415 3021 1 4 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.000 1.256 18415 3022 1 4 . 1 1 130 130 GLY H H 130 8.673 8.673 8.628 0.045 18415 3023 1 4 . 1 1 131 131 THR N N 131 112.246 112.246 115.194 -2.948 18415 3024 1 4 . 1 1 131 131 THR HA H 131 4.427 4.427 4.139 0.288 18415 3025 1 4 . 1 1 131 131 THR C C 131 175.259 175.259 175.865 -0.606 18415 3026 1 4 . 1 1 131 131 THR CA C 131 61.500 61.500 62.395 -0.895 18415 3027 1 4 . 1 1 131 131 THR CB C 131 69.998 69.998 68.543 1.455 18415 3028 1 4 . 1 1 131 131 THR H H 131 7.870 7.870 8.133 -0.263 18415 3029 1 4 . 1 1 132 132 THR N N 132 116.455 116.455 117.898 -1.443 18415 3030 1 4 . 1 1 132 132 THR HA H 132 4.281 4.281 3.983 0.298 18415 3031 1 4 . 1 1 132 132 THR C C 132 174.867 174.867 175.279 -0.412 18415 3032 1 4 . 1 1 132 132 THR CA C 132 62.453 62.453 66.127 -3.674 18415 3033 1 4 . 1 1 132 132 THR CB C 132 69.868 69.868 68.439 1.429 18415 3034 1 4 . 1 1 132 132 THR H H 132 8.120 8.120 8.326 -0.206 18415 3035 1 4 . 1 1 133 133 LEU N N 133 124.001 124.001 117.403 6.598 18415 3036 1 4 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.221 0.041 18415 3037 1 4 . 1 1 133 133 LEU C C 133 177.365 177.365 178.011 -0.646 18415 3038 1 4 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.251 -0.504 18415 3039 1 4 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.478 0.844 18415 3040 1 4 . 1 1 133 133 LEU H H 133 8.117 8.117 7.673 0.444 18415 3041 1 4 . 1 1 134 134 ASN N N 134 119.222 119.222 118.050 1.172 18415 3042 1 4 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.690 -0.069 18415 3043 1 4 . 1 1 134 134 ASN C C 134 175.725 175.725 176.233 -0.508 18415 3044 1 4 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.992 -1.367 18415 3045 1 4 . 1 1 134 134 ASN CB C 134 38.836 38.836 40.143 -1.307 18415 3046 1 4 . 1 1 134 134 ASN H H 134 8.325 8.325 7.676 0.649 18415 3047 1 4 . 1 1 135 135 ALA N N 135 123.649 123.649 122.605 1.044 18415 3048 1 4 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.618 -0.489 18415 3049 1 4 . 1 1 135 135 ALA C C 135 179.061 179.061 177.715 1.346 18415 3050 1 4 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.759 2.173 18415 3051 1 4 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.475 0.464 18415 3052 1 4 . 1 1 135 135 ALA H H 135 8.205 8.205 8.311 -0.106 18415 3053 1 4 . 1 1 136 136 GLU N N 136 119.187 119.187 119.875 -0.688 18415 3054 1 4 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.046 0.159 18415 3055 1 4 . 1 1 136 136 GLU C C 136 177.504 177.504 178.511 -1.007 18415 3056 1 4 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.169 -1.290 18415 3057 1 4 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.688 0.958 18415 3058 1 4 . 1 1 136 136 GLU H H 136 8.349 8.349 8.558 -0.209 18415 3059 1 4 . 1 1 137 137 ASN N N 137 118.988 118.988 117.095 1.893 18415 3060 1 4 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.694 -0.057 18415 3061 1 4 . 1 1 137 137 ASN C C 137 176.785 176.785 177.479 -0.694 18415 3062 1 4 . 1 1 137 137 ASN CA C 137 54.474 54.474 54.558 -0.084 18415 3063 1 4 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.466 0.243 18415 3064 1 4 . 1 1 137 137 ASN H H 137 8.259 8.259 8.195 0.064 18415 3065 1 4 . 1 1 138 138 LEU N N 138 121.438 121.438 122.108 -0.670 18415 3066 1 4 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.028 0.107 18415 3067 1 4 . 1 1 138 138 LEU C C 138 178.872 178.872 178.736 0.136 18415 3068 1 4 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.059 -1.132 18415 3069 1 4 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.144 0.857 18415 3070 1 4 . 1 1 138 138 LEU H H 138 8.084 8.084 7.746 0.338 18415 3071 1 4 . 1 1 139 139 TYR N N 139 120.558 120.558 119.304 1.254 18415 3072 1 4 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.249 0.037 18415 3073 1 4 . 1 1 139 139 TYR C C 139 177.587 177.587 177.879 -0.292 18415 3074 1 4 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.904 -0.759 18415 3075 1 4 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.511 -0.145 18415 3076 1 4 . 1 1 139 139 TYR H H 139 8.130 8.130 8.219 -0.089 18415 3077 1 4 . 1 1 140 140 PHE N N 140 120.508 120.508 120.492 0.016 18415 3078 1 4 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.250 0.105 18415 3079 1 4 . 1 1 140 140 PHE C C 140 177.425 177.425 176.247 1.178 18415 3080 1 4 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.325 -0.695 18415 3081 1 4 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.194 0.058 18415 3082 1 4 . 1 1 140 140 PHE H H 140 8.275 8.275 7.790 0.485 18415 3083 1 4 . 1 1 141 141 GLN N N 141 119.274 119.274 117.311 1.963 18415 3084 1 4 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.139 -0.026 18415 3085 1 4 . 1 1 141 141 GLN C C 141 176.976 176.976 175.700 1.276 18415 3086 1 4 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.050 1.313 18415 3087 1 4 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.216 -0.188 18415 3088 1 4 . 1 1 141 141 GLN H H 141 8.250 8.250 7.802 0.448 18415 3089 1 5 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.383 -0.596 18415 3090 1 5 . 1 1 2 2 VAL C C 2 172.250 172.250 173.083 -0.833 18415 3091 1 5 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.388 -1.094 18415 3092 1 5 . 1 1 2 2 VAL CB C 2 33.708 33.708 34.045 -0.337 18415 3093 1 5 . 1 1 3 3 CYS N N 3 121.988 121.988 125.370 -3.382 18415 3094 1 5 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.788 0.417 18415 3095 1 5 . 1 1 3 3 CYS C C 3 171.993 171.993 172.867 -0.874 18415 3096 1 5 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.115 -4.071 18415 3097 1 5 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.051 10.410 18415 3098 1 5 . 1 1 3 3 CYS H H 3 8.628 8.628 8.462 0.166 18415 3099 1 5 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.841 -0.018 18415 3100 1 5 . 1 1 5 5 ILE C C 5 176.622 176.622 176.854 -0.232 18415 3101 1 5 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.906 0.394 18415 3102 1 5 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.361 -0.317 18415 3103 1 5 . 1 1 6 6 ASP N N 6 117.894 117.894 120.306 -2.412 18415 3104 1 5 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.531 -0.187 18415 3105 1 5 . 1 1 6 6 ASP H H 6 8.606 8.606 8.579 0.027 18415 3106 1 5 . 1 1 7 7 TRP N N 7 120.564 120.564 118.124 2.440 18415 3107 1 5 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.952 -0.262 18415 3108 1 5 . 1 1 7 7 TRP C C 7 176.415 176.415 176.788 -0.373 18415 3109 1 5 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.484 0.554 18415 3110 1 5 . 1 1 7 7 TRP CB C 7 28.771 28.771 30.196 -1.425 18415 3111 1 5 . 1 1 7 7 TRP H H 7 8.208 8.208 7.671 0.537 18415 3112 1 5 . 1 1 8 8 ARG N N 8 119.872 119.872 120.216 -0.344 18415 3113 1 5 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.643 0.043 18415 3114 1 5 . 1 1 8 8 ARG C C 8 176.146 176.146 174.948 1.198 18415 3115 1 5 . 1 1 8 8 ARG CA C 8 53.941 53.941 53.804 0.137 18415 3116 1 5 . 1 1 8 8 ARG CB C 8 31.563 31.563 31.417 0.146 18415 3117 1 5 . 1 1 8 8 ARG H H 8 9.456 9.456 9.243 0.213 18415 3118 1 5 . 1 1 9 9 ALA N N 9 127.265 127.265 128.740 -1.475 18415 3119 1 5 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.339 0.052 18415 3120 1 5 . 1 1 9 9 ALA C C 9 176.927 176.927 176.492 0.435 18415 3121 1 5 . 1 1 9 9 ALA CA C 9 52.010 52.010 50.886 1.124 18415 3122 1 5 . 1 1 9 9 ALA CB C 9 22.663 22.663 20.481 2.182 18415 3123 1 5 . 1 1 9 9 ALA H H 9 8.819 8.819 8.691 0.128 18415 3124 1 5 . 1 1 10 10 PHE N N 10 120.450 120.450 126.986 -6.536 18415 3125 1 5 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.737 -0.543 18415 3126 1 5 . 1 1 10 10 PHE C C 10 174.606 174.606 175.136 -0.530 18415 3127 1 5 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.139 1.387 18415 3128 1 5 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.134 -0.273 18415 3129 1 5 . 1 1 10 10 PHE H H 10 8.202 8.202 9.101 -0.899 18415 3130 1 5 . 1 1 11 11 GLN N N 11 126.391 126.391 125.034 1.357 18415 3131 1 5 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.672 -0.211 18415 3132 1 5 . 1 1 11 11 GLN C C 11 175.859 175.859 175.670 0.189 18415 3133 1 5 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.986 -0.734 18415 3134 1 5 . 1 1 11 11 GLN CB C 11 25.962 25.962 26.996 -1.034 18415 3135 1 5 . 1 1 11 11 GLN H H 11 8.872 8.872 8.804 0.068 18415 3136 1 5 . 1 1 12 12 SER N N 12 113.087 113.087 113.176 -0.089 18415 3137 1 5 . 1 1 12 12 SER HA H 12 4.252 4.252 4.604 -0.352 18415 3138 1 5 . 1 1 12 12 SER C C 12 173.339 173.339 172.752 0.587 18415 3139 1 5 . 1 1 12 12 SER CA C 12 59.795 59.795 58.129 1.666 18415 3140 1 5 . 1 1 12 12 SER CB C 12 62.943 62.943 65.780 -2.837 18415 3141 1 5 . 1 1 12 12 SER H H 12 8.189 8.189 8.312 -0.123 18415 3142 1 5 . 1 1 13 13 ASN N N 13 118.336 118.336 119.785 -1.449 18415 3143 1 5 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.164 0.092 18415 3144 1 5 . 1 1 13 13 ASN C C 13 174.330 174.330 173.123 1.207 18415 3145 1 5 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.476 -0.134 18415 3146 1 5 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.617 0.841 18415 3147 1 5 . 1 1 13 13 ASN H H 13 8.242 8.242 7.899 0.343 18415 3148 1 5 . 1 1 14 14 CYS N N 14 118.315 118.315 118.430 -0.115 18415 3149 1 5 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.526 0.335 18415 3150 1 5 . 1 1 14 14 CYS C C 14 174.314 174.314 173.719 0.595 18415 3151 1 5 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.055 -4.370 18415 3152 1 5 . 1 1 14 14 CYS CB C 14 44.019 44.019 28.709 15.310 18415 3153 1 5 . 1 1 14 14 CYS H H 14 8.592 8.592 9.053 -0.461 18415 3154 1 5 . 1 1 15 15 TYR N N 15 121.588 121.588 121.565 0.023 18415 3155 1 5 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.428 0.349 18415 3156 1 5 . 1 1 15 15 TYR C C 15 176.333 176.333 174.299 2.034 18415 3157 1 5 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.417 2.199 18415 3158 1 5 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.169 3.413 18415 3159 1 5 . 1 1 15 15 TYR H H 15 9.947 9.947 9.723 0.224 18415 3160 1 5 . 1 1 16 16 PHE N N 16 121.989 121.989 122.031 -0.042 18415 3161 1 5 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.760 0.151 18415 3162 1 5 . 1 1 16 16 PHE C C 16 172.937 172.937 172.633 0.304 18415 3163 1 5 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.556 -1.158 18415 3164 1 5 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.519 -2.449 18415 3165 1 5 . 1 1 16 16 PHE H H 16 8.717 8.717 9.215 -0.498 18415 3166 1 5 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.898 0.218 18415 3167 1 5 . 1 1 17 17 PRO C C 17 175.445 175.445 175.054 0.391 18415 3168 1 5 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.707 -0.219 18415 3169 1 5 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.474 -0.483 18415 3170 1 5 . 1 1 18 18 LEU N N 18 126.062 126.062 124.891 1.171 18415 3171 1 5 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.614 0.067 18415 3172 1 5 . 1 1 18 18 LEU C C 18 177.391 177.391 176.913 0.478 18415 3173 1 5 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.471 0.889 18415 3174 1 5 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.794 0.688 18415 3175 1 5 . 1 1 18 18 LEU H H 18 9.054 9.054 9.240 -0.186 18415 3176 1 5 . 1 1 19 19 THR N N 19 109.256 109.256 112.374 -3.118 18415 3177 1 5 . 1 1 19 19 THR HA H 19 4.612 4.612 4.506 0.106 18415 3178 1 5 . 1 1 19 19 THR C C 19 175.613 175.613 174.387 1.226 18415 3179 1 5 . 1 1 19 19 THR CA C 19 62.236 62.236 61.306 0.930 18415 3180 1 5 . 1 1 19 19 THR CB C 19 69.530 69.530 68.439 1.091 18415 3181 1 5 . 1 1 19 19 THR H H 19 8.303 8.303 8.641 -0.338 18415 3182 1 5 . 1 1 20 20 ASP N N 20 121.645 121.645 119.118 2.527 18415 3183 1 5 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.434 0.023 18415 3184 1 5 . 1 1 20 20 ASP C C 20 174.684 174.684 175.752 -1.068 18415 3185 1 5 . 1 1 20 20 ASP CA C 20 53.118 53.118 54.142 -1.024 18415 3186 1 5 . 1 1 20 20 ASP CB C 20 40.069 40.069 40.798 -0.729 18415 3187 1 5 . 1 1 20 20 ASP H H 20 8.834 8.834 8.253 0.581 18415 3188 1 5 . 1 1 21 21 ASN N N 21 118.648 118.648 115.744 2.904 18415 3189 1 5 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.386 0.260 18415 3190 1 5 . 1 1 21 21 ASN C C 21 176.542 176.542 173.937 2.605 18415 3191 1 5 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.453 -1.001 18415 3192 1 5 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.325 1.128 18415 3193 1 5 . 1 1 21 21 ASN H H 21 8.113 8.113 8.398 -0.285 18415 3194 1 5 . 1 1 22 22 LYS N N 22 122.470 122.470 120.466 2.004 18415 3195 1 5 . 1 1 22 22 LYS HA H 22 4.856 4.856 5.269 -0.413 18415 3196 1 5 . 1 1 22 22 LYS C C 22 176.711 176.711 177.094 -0.383 18415 3197 1 5 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.521 1.144 18415 3198 1 5 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.829 2.710 18415 3199 1 5 . 1 1 22 22 LYS H H 22 8.794 8.794 8.848 -0.054 18415 3200 1 5 . 1 1 23 23 THR N N 23 109.009 109.009 114.099 -5.090 18415 3201 1 5 . 1 1 23 23 THR HA H 23 5.647 5.647 4.753 0.894 18415 3202 1 5 . 1 1 23 23 THR C C 23 178.411 178.411 175.758 2.653 18415 3203 1 5 . 1 1 23 23 THR CA C 23 61.773 61.773 62.311 -0.538 18415 3204 1 5 . 1 1 23 23 THR CB C 23 71.820 71.820 69.452 2.368 18415 3205 1 5 . 1 1 23 23 THR H H 23 8.250 8.250 9.139 -0.889 18415 3206 1 5 . 1 1 24 24 TRP N N 24 126.345 126.345 124.865 1.480 18415 3207 1 5 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.356 -0.326 18415 3208 1 5 . 1 1 24 24 TRP C C 24 178.204 178.204 177.186 1.018 18415 3209 1 5 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.462 2.119 18415 3210 1 5 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.094 1.560 18415 3211 1 5 . 1 1 24 24 TRP H H 24 8.279 8.279 8.377 -0.098 18415 3212 1 5 . 1 1 25 25 ALA N N 25 119.965 119.965 120.477 -0.512 18415 3213 1 5 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.860 0.088 18415 3214 1 5 . 1 1 25 25 ALA C C 25 182.089 182.089 179.560 2.529 18415 3215 1 5 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.332 0.558 18415 3216 1 5 . 1 1 25 25 ALA CB C 25 18.255 18.255 17.987 0.268 18415 3217 1 5 . 1 1 25 25 ALA H H 25 9.634 9.634 7.981 1.653 18415 3218 1 5 . 1 1 26 26 GLU N N 26 116.492 116.492 118.248 -1.756 18415 3219 1 5 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.061 0.002 18415 3220 1 5 . 1 1 26 26 GLU C C 26 179.756 179.756 179.236 0.520 18415 3221 1 5 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.676 -0.381 18415 3222 1 5 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.168 1.315 18415 3223 1 5 . 1 1 26 26 GLU H H 26 7.392 7.392 7.734 -0.342 18415 3224 1 5 . 1 1 27 27 SER N N 27 121.197 121.197 116.154 5.043 18415 3225 1 5 . 1 1 27 27 SER HA H 27 3.855 3.855 4.094 -0.239 18415 3226 1 5 . 1 1 27 27 SER C C 27 174.299 174.299 176.099 -1.800 18415 3227 1 5 . 1 1 27 27 SER CA C 27 63.344 63.344 62.377 0.967 18415 3228 1 5 . 1 1 27 27 SER CB C 27 62.329 62.329 62.755 -0.426 18415 3229 1 5 . 1 1 27 27 SER H H 27 8.596 8.596 8.516 0.080 18415 3230 1 5 . 1 1 28 28 GLU N N 28 124.173 124.173 121.931 2.242 18415 3231 1 5 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.825 0.443 18415 3232 1 5 . 1 1 28 28 GLU C C 28 178.856 178.856 178.548 0.308 18415 3233 1 5 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.840 -0.641 18415 3234 1 5 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.191 -2.291 18415 3235 1 5 . 1 1 28 28 GLU H H 28 8.133 8.133 7.875 0.258 18415 3236 1 5 . 1 1 29 29 ARG N N 29 120.498 120.498 117.948 2.550 18415 3237 1 5 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.045 -0.002 18415 3238 1 5 . 1 1 29 29 ARG C C 29 179.339 179.339 178.546 0.793 18415 3239 1 5 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.308 0.383 18415 3240 1 5 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.286 -0.051 18415 3241 1 5 . 1 1 29 29 ARG H H 29 7.962 7.962 8.030 -0.068 18415 3242 1 5 . 1 1 30 30 ASN N N 30 119.000 119.000 116.773 2.227 18415 3243 1 5 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.663 -0.216 18415 3244 1 5 . 1 1 30 30 ASN C C 30 178.153 178.153 176.254 1.899 18415 3245 1 5 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.526 3.124 18415 3246 1 5 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.450 0.987 18415 3247 1 5 . 1 1 30 30 ASN H H 30 7.960 7.960 7.799 0.161 18415 3248 1 5 . 1 1 31 31 CYS N N 31 116.301 116.301 117.671 -1.370 18415 3249 1 5 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.555 -0.074 18415 3250 1 5 . 1 1 31 31 CYS C C 31 178.072 178.072 175.511 2.561 18415 3251 1 5 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.715 -4.305 18415 3252 1 5 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.592 6.117 18415 3253 1 5 . 1 1 31 31 CYS H H 31 8.477 8.477 7.754 0.723 18415 3254 1 5 . 1 1 32 32 SER N N 32 119.834 119.834 114.792 5.042 18415 3255 1 5 . 1 1 32 32 SER HA H 32 4.700 4.700 3.948 0.752 18415 3256 1 5 . 1 1 32 32 SER C C 32 179.062 179.062 176.473 2.589 18415 3257 1 5 . 1 1 32 32 SER CA C 32 61.663 61.663 60.822 0.841 18415 3258 1 5 . 1 1 32 32 SER CB C 32 62.655 62.655 61.607 1.048 18415 3259 1 5 . 1 1 32 32 SER H H 32 9.206 9.206 8.876 0.330 18415 3260 1 5 . 1 1 33 33 GLY N N 33 111.632 111.632 110.364 1.268 18415 3261 1 5 . 1 1 33 33 GLY C C 33 174.861 174.861 174.882 -0.021 18415 3262 1 5 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.375 -0.708 18415 3263 1 5 . 1 1 33 33 GLY H H 33 8.053 8.053 8.331 -0.278 18415 3264 1 5 . 1 1 34 34 MET N N 34 116.998 116.998 118.317 -1.319 18415 3265 1 5 . 1 1 34 34 MET HA H 34 4.596 4.596 4.517 0.079 18415 3266 1 5 . 1 1 34 34 MET C C 34 175.356 175.356 176.225 -0.869 18415 3267 1 5 . 1 1 34 34 MET CA C 34 54.887 54.887 54.921 -0.034 18415 3268 1 5 . 1 1 34 34 MET CB C 34 33.959 33.959 32.297 1.662 18415 3269 1 5 . 1 1 34 34 MET H H 34 7.441 7.441 7.766 -0.325 18415 3270 1 5 . 1 1 35 35 GLY N N 35 106.474 106.474 107.561 -1.087 18415 3271 1 5 . 1 1 35 35 GLY C C 35 173.112 173.112 173.270 -0.158 18415 3272 1 5 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.500 -0.099 18415 3273 1 5 . 1 1 35 35 GLY H H 35 7.807 7.807 7.825 -0.018 18415 3274 1 5 . 1 1 36 36 ALA N N 36 121.833 121.833 122.126 -0.293 18415 3275 1 5 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.311 0.391 18415 3276 1 5 . 1 1 36 36 ALA C C 36 174.285 174.285 175.635 -1.350 18415 3277 1 5 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.879 -1.158 18415 3278 1 5 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.197 3.465 18415 3279 1 5 . 1 1 36 36 ALA H H 36 7.693 7.693 7.447 0.246 18415 3280 1 5 . 1 1 37 37 HIS N N 37 111.683 111.683 116.694 -5.011 18415 3281 1 5 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.000 0.131 18415 3282 1 5 . 1 1 37 37 HIS C C 37 175.351 175.351 174.927 0.424 18415 3283 1 5 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.925 -0.352 18415 3284 1 5 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.210 0.761 18415 3285 1 5 . 1 1 37 37 HIS H H 37 8.078 8.078 8.813 -0.735 18415 3286 1 5 . 1 1 38 38 LEU N N 38 123.260 123.260 121.104 2.156 18415 3287 1 5 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.752 0.021 18415 3288 1 5 . 1 1 38 38 LEU C C 38 179.180 179.180 178.296 0.884 18415 3289 1 5 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.582 0.784 18415 3290 1 5 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.990 0.666 18415 3291 1 5 . 1 1 38 38 LEU H H 38 9.964 9.964 8.815 1.149 18415 3292 1 5 . 1 1 39 39 MET N N 39 119.511 119.511 122.813 -3.302 18415 3293 1 5 . 1 1 39 39 MET HA H 39 3.855 3.855 4.365 -0.510 18415 3294 1 5 . 1 1 39 39 MET C C 39 174.874 174.874 175.248 -0.374 18415 3295 1 5 . 1 1 39 39 MET CA C 39 58.789 58.789 55.590 3.199 18415 3296 1 5 . 1 1 39 39 MET CB C 39 34.405 34.405 32.139 2.266 18415 3297 1 5 . 1 1 39 39 MET H H 39 8.409 8.409 8.556 -0.147 18415 3298 1 5 . 1 1 40 40 THR N N 40 123.771 123.771 120.527 3.244 18415 3299 1 5 . 1 1 40 40 THR HA H 40 4.013 4.013 3.919 0.094 18415 3300 1 5 . 1 1 40 40 THR C C 40 172.936 172.936 173.497 -0.561 18415 3301 1 5 . 1 1 40 40 THR CA C 40 59.869 59.869 59.306 0.563 18415 3302 1 5 . 1 1 40 40 THR CB C 40 70.587 70.587 68.823 1.764 18415 3303 1 5 . 1 1 40 40 THR H H 40 6.822 6.822 8.338 -1.516 18415 3304 1 5 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.208 0.041 18415 3305 1 5 . 1 1 41 41 ILE C C 41 174.349 174.349 175.894 -1.545 18415 3306 1 5 . 1 1 41 41 ILE CA C 41 59.757 59.757 61.859 -2.102 18415 3307 1 5 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.781 0.790 18415 3308 1 5 . 1 1 42 42 SER N N 42 122.113 122.113 121.478 0.635 18415 3309 1 5 . 1 1 42 42 SER HA H 42 4.647 4.647 4.616 0.031 18415 3310 1 5 . 1 1 42 42 SER C C 42 174.502 174.502 174.492 0.010 18415 3311 1 5 . 1 1 42 42 SER CA C 42 59.768 59.768 58.718 1.050 18415 3312 1 5 . 1 1 42 42 SER CB C 42 64.720 64.720 65.328 -0.608 18415 3313 1 5 . 1 1 42 42 SER H H 42 9.230 9.230 9.861 -0.631 18415 3314 1 5 . 1 1 43 43 THR N N 43 108.516 108.516 114.294 -5.778 18415 3315 1 5 . 1 1 43 43 THR HA H 43 4.807 4.807 4.789 0.018 18415 3316 1 5 . 1 1 43 43 THR C C 43 173.812 173.812 174.868 -1.056 18415 3317 1 5 . 1 1 43 43 THR CA C 43 59.249 59.249 60.711 -1.462 18415 3318 1 5 . 1 1 43 43 THR CB C 43 73.128 73.128 72.753 0.375 18415 3319 1 5 . 1 1 43 43 THR H H 43 7.559 7.559 7.747 -0.188 18415 3320 1 5 . 1 1 44 44 GLU N N 44 123.057 123.057 123.806 -0.749 18415 3321 1 5 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.145 -0.696 18415 3322 1 5 . 1 1 44 44 GLU C C 44 178.262 178.262 178.522 -0.260 18415 3323 1 5 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.437 -1.108 18415 3324 1 5 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.505 -0.063 18415 3325 1 5 . 1 1 44 44 GLU H H 44 9.377 9.377 9.112 0.265 18415 3326 1 5 . 1 1 45 45 ALA N N 45 119.910 119.910 121.917 -2.007 18415 3327 1 5 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.257 -0.207 18415 3328 1 5 . 1 1 45 45 ALA C C 45 180.096 180.096 179.249 0.847 18415 3329 1 5 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.923 0.257 18415 3330 1 5 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.222 0.045 18415 3331 1 5 . 1 1 45 45 ALA H H 45 8.328 8.328 8.325 0.003 18415 3332 1 5 . 1 1 46 46 GLU N N 46 118.861 118.861 119.290 -0.429 18415 3333 1 5 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.464 0.148 18415 3334 1 5 . 1 1 46 46 GLU C C 46 177.452 177.452 178.331 -0.879 18415 3335 1 5 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.495 -0.211 18415 3336 1 5 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.394 1.119 18415 3337 1 5 . 1 1 46 46 GLU H H 46 7.852 7.852 7.736 0.116 18415 3338 1 5 . 1 1 47 47 GLN N N 47 119.473 119.473 118.671 0.802 18415 3339 1 5 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.878 -0.191 18415 3340 1 5 . 1 1 47 47 GLN C C 47 176.429 176.429 178.183 -1.754 18415 3341 1 5 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.969 0.939 18415 3342 1 5 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.345 1.631 18415 3343 1 5 . 1 1 47 47 GLN H H 47 7.054 7.054 7.745 -0.691 18415 3344 1 5 . 1 1 48 48 ASN N N 48 115.182 115.182 117.345 -2.163 18415 3345 1 5 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.260 -0.047 18415 3346 1 5 . 1 1 48 48 ASN C C 48 176.986 176.986 177.030 -0.044 18415 3347 1 5 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.800 -0.771 18415 3348 1 5 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.433 -0.875 18415 3349 1 5 . 1 1 48 48 ASN H H 48 8.416 8.416 7.609 0.807 18415 3350 1 5 . 1 1 49 49 PHE N N 49 118.413 118.413 117.823 0.590 18415 3351 1 5 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.162 -0.183 18415 3352 1 5 . 1 1 49 49 PHE C C 49 177.254 177.254 177.280 -0.026 18415 3353 1 5 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.852 -0.690 18415 3354 1 5 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.087 -1.004 18415 3355 1 5 . 1 1 49 49 PHE H H 49 7.473 7.473 7.614 -0.141 18415 3356 1 5 . 1 1 50 50 ILE N N 50 117.601 117.601 122.251 -4.650 18415 3357 1 5 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.929 -0.388 18415 3358 1 5 . 1 1 50 50 ILE C C 50 176.891 176.891 177.142 -0.251 18415 3359 1 5 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.777 -3.125 18415 3360 1 5 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.070 1.139 18415 3361 1 5 . 1 1 50 50 ILE H H 50 7.020 7.020 7.805 -0.785 18415 3362 1 5 . 1 1 51 51 ILE N N 51 114.824 114.824 115.701 -0.877 18415 3363 1 5 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.074 -0.181 18415 3364 1 5 . 1 1 51 51 ILE C C 51 177.092 177.092 176.294 0.798 18415 3365 1 5 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.745 1.459 18415 3366 1 5 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.219 0.701 18415 3367 1 5 . 1 1 51 51 ILE H H 51 7.216 7.216 7.503 -0.287 18415 3368 1 5 . 1 1 52 52 GLN N N 52 116.767 116.767 117.584 -0.817 18415 3369 1 5 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.911 -0.141 18415 3370 1 5 . 1 1 52 52 GLN C C 52 176.442 176.442 176.582 -0.140 18415 3371 1 5 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.210 0.060 18415 3372 1 5 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.905 0.115 18415 3373 1 5 . 1 1 52 52 GLN H H 52 6.416 6.416 7.048 -0.632 18415 3374 1 5 . 1 1 53 53 PHE N N 53 115.400 115.400 116.318 -0.918 18415 3375 1 5 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.409 0.168 18415 3376 1 5 . 1 1 53 53 PHE C C 53 174.993 174.993 175.715 -0.722 18415 3377 1 5 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.532 -1.637 18415 3378 1 5 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.092 -0.559 18415 3379 1 5 . 1 1 53 53 PHE H H 53 7.216 7.216 7.217 -0.001 18415 3380 1 5 . 1 1 54 54 LEU N N 54 118.096 118.096 119.922 -1.826 18415 3381 1 5 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.887 0.204 18415 3382 1 5 . 1 1 54 54 LEU C C 54 175.467 175.467 176.145 -0.678 18415 3383 1 5 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.811 -0.240 18415 3384 1 5 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.551 0.156 18415 3385 1 5 . 1 1 54 54 LEU H H 54 6.668 6.668 7.162 -0.494 18415 3386 1 5 . 1 1 55 55 ASP N N 55 123.723 123.723 123.409 0.314 18415 3387 1 5 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.659 0.156 18415 3388 1 5 . 1 1 55 55 ASP C C 55 177.896 177.896 177.064 0.832 18415 3389 1 5 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.373 -1.275 18415 3390 1 5 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.612 0.050 18415 3391 1 5 . 1 1 55 55 ASP H H 55 8.687 8.687 8.299 0.388 18415 3392 1 5 . 1 1 56 56 ARG N N 56 124.370 124.370 126.474 -2.104 18415 3393 1 5 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.167 0.143 18415 3394 1 5 . 1 1 56 56 ARG C C 56 178.201 178.201 175.731 2.470 18415 3395 1 5 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.214 1.744 18415 3396 1 5 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.022 2.556 18415 3397 1 5 . 1 1 56 56 ARG H H 56 8.758 8.758 8.886 -0.128 18415 3398 1 5 . 1 1 57 57 ARG N N 57 120.411 120.411 117.385 3.026 18415 3399 1 5 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.390 -0.096 18415 3400 1 5 . 1 1 57 57 ARG C C 57 177.064 177.064 174.752 2.312 18415 3401 1 5 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.407 1.125 18415 3402 1 5 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.261 -1.569 18415 3403 1 5 . 1 1 57 57 ARG H H 57 9.150 9.150 8.642 0.508 18415 3404 1 5 . 1 1 58 58 LEU N N 58 119.445 119.445 122.602 -3.157 18415 3405 1 5 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.519 0.185 18415 3406 1 5 . 1 1 58 58 LEU C C 58 176.450 176.450 176.097 0.353 18415 3407 1 5 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.799 0.480 18415 3408 1 5 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.709 0.549 18415 3409 1 5 . 1 1 58 58 LEU H H 58 8.328 8.328 7.663 0.665 18415 3410 1 5 . 1 1 59 59 SER N N 59 116.536 116.536 115.976 0.560 18415 3411 1 5 . 1 1 59 59 SER HA H 59 5.505 5.505 5.057 0.448 18415 3412 1 5 . 1 1 59 59 SER C C 59 173.263 173.263 173.211 0.052 18415 3413 1 5 . 1 1 59 59 SER CA C 59 57.199 57.199 57.081 0.118 18415 3414 1 5 . 1 1 59 59 SER CB C 59 65.064 65.064 64.029 1.035 18415 3415 1 5 . 1 1 59 59 SER H H 59 8.470 8.470 8.558 -0.088 18415 3416 1 5 . 1 1 60 60 TYR N N 60 120.274 120.274 123.940 -3.666 18415 3417 1 5 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.774 -0.496 18415 3418 1 5 . 1 1 60 60 TYR C C 60 175.560 175.560 175.605 -0.045 18415 3419 1 5 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.810 -0.338 18415 3420 1 5 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.370 2.136 18415 3421 1 5 . 1 1 60 60 TYR H H 60 8.897 8.897 9.292 -0.395 18415 3422 1 5 . 1 1 61 61 PHE N N 61 123.635 123.635 122.814 0.821 18415 3423 1 5 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.571 0.717 18415 3424 1 5 . 1 1 61 61 PHE C C 61 175.433 175.433 175.549 -0.116 18415 3425 1 5 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.092 -0.017 18415 3426 1 5 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.215 1.654 18415 3427 1 5 . 1 1 61 61 PHE H H 61 9.521 9.521 9.301 0.220 18415 3428 1 5 . 1 1 62 62 LEU N N 62 114.382 114.382 122.327 -7.945 18415 3429 1 5 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.813 0.260 18415 3430 1 5 . 1 1 62 62 LEU C C 62 179.521 179.521 177.605 1.916 18415 3431 1 5 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.795 -2.012 18415 3432 1 5 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.024 2.252 18415 3433 1 5 . 1 1 62 62 LEU H H 62 8.394 8.394 8.565 -0.171 18415 3434 1 5 . 1 1 63 63 GLY N N 63 106.675 106.675 108.598 -1.923 18415 3435 1 5 . 1 1 63 63 GLY C C 63 172.404 172.404 173.385 -0.981 18415 3436 1 5 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.471 2.922 18415 3437 1 5 . 1 1 63 63 GLY H H 63 9.253 9.253 9.293 -0.040 18415 3438 1 5 . 1 1 64 64 LEU N N 64 124.754 124.754 122.458 2.296 18415 3439 1 5 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.434 0.150 18415 3440 1 5 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.209 0.093 18415 3441 1 5 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.407 0.864 18415 3442 1 5 . 1 1 64 64 LEU H H 64 6.840 6.840 7.964 -1.124 18415 3443 1 5 . 1 1 65 65 ARG N N 65 124.476 124.476 127.034 -2.558 18415 3444 1 5 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.103 1.057 18415 3445 1 5 . 1 1 65 65 ARG C C 65 174.245 174.245 174.191 0.054 18415 3446 1 5 . 1 1 65 65 ARG CA C 65 54.904 54.904 55.008 -0.104 18415 3447 1 5 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.481 2.050 18415 3448 1 5 . 1 1 65 65 ARG H H 65 8.218 8.218 8.996 -0.778 18415 3449 1 5 . 1 1 66 66 ASP N N 66 126.754 126.754 125.241 1.513 18415 3450 1 5 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.650 -0.221 18415 3451 1 5 . 1 1 66 66 ASP C C 66 176.516 176.516 173.899 2.617 18415 3452 1 5 . 1 1 66 66 ASP CA C 66 51.854 51.854 53.444 -1.590 18415 3453 1 5 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.515 -2.747 18415 3454 1 5 . 1 1 66 66 ASP H H 66 8.756 8.756 8.340 0.416 18415 3455 1 5 . 1 1 67 67 GLU N N 67 123.390 123.390 125.449 -2.059 18415 3456 1 5 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.353 -0.577 18415 3457 1 5 . 1 1 67 67 GLU C C 67 175.648 175.648 176.155 -0.507 18415 3458 1 5 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.281 3.567 18415 3459 1 5 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.369 -0.053 18415 3460 1 5 . 1 1 67 67 GLU H H 67 8.488 8.488 8.456 0.032 18415 3461 1 5 . 1 1 68 68 ASN N N 68 114.882 114.882 121.552 -6.670 18415 3462 1 5 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.319 0.345 18415 3463 1 5 . 1 1 68 68 ASN C C 68 174.482 174.482 173.870 0.612 18415 3464 1 5 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.890 -0.976 18415 3465 1 5 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.375 1.037 18415 3466 1 5 . 1 1 68 68 ASN H H 68 8.336 8.336 8.849 -0.513 18415 3467 1 5 . 1 1 69 69 ALA N N 69 118.915 118.915 117.355 1.560 18415 3468 1 5 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.194 -0.320 18415 3469 1 5 . 1 1 69 69 ALA C C 69 177.082 177.082 176.668 0.414 18415 3470 1 5 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.157 0.475 18415 3471 1 5 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.524 -0.353 18415 3472 1 5 . 1 1 69 69 ALA H H 69 7.444 7.444 7.956 -0.512 18415 3473 1 5 . 1 1 70 70 LYS N N 70 117.439 117.439 124.425 -6.986 18415 3474 1 5 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.337 -0.019 18415 3475 1 5 . 1 1 70 70 LYS C C 70 177.726 177.726 177.671 0.055 18415 3476 1 5 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.045 -0.622 18415 3477 1 5 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.696 -0.960 18415 3478 1 5 . 1 1 70 70 LYS H H 70 7.925 7.925 9.153 -1.228 18415 3479 1 5 . 1 1 71 71 GLY C C 71 175.127 175.127 173.609 1.518 18415 3480 1 5 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.003 0.671 18415 3481 1 5 . 1 1 72 72 GLN N N 72 124.084 124.084 119.091 4.993 18415 3482 1 5 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.211 0.180 18415 3483 1 5 . 1 1 72 72 GLN C C 72 174.283 174.283 175.342 -1.059 18415 3484 1 5 . 1 1 72 72 GLN CA C 72 53.157 53.157 52.989 0.168 18415 3485 1 5 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.933 -0.300 18415 3486 1 5 . 1 1 72 72 GLN H H 72 7.749 7.749 7.540 0.209 18415 3487 1 5 . 1 1 73 73 TRP N N 73 121.803 121.803 127.207 -5.404 18415 3488 1 5 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.309 -0.404 18415 3489 1 5 . 1 1 73 73 TRP C C 73 175.776 175.776 175.839 -0.063 18415 3490 1 5 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.468 -0.647 18415 3491 1 5 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.893 -0.017 18415 3492 1 5 . 1 1 73 73 TRP H H 73 6.599 6.599 8.066 -1.467 18415 3493 1 5 . 1 1 74 74 ARG N N 74 119.549 119.549 120.325 -0.776 18415 3494 1 5 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.777 -0.071 18415 3495 1 5 . 1 1 74 74 ARG C C 74 176.980 176.980 175.265 1.715 18415 3496 1 5 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.893 -0.560 18415 3497 1 5 . 1 1 74 74 ARG CB C 74 34.623 34.623 33.925 0.698 18415 3498 1 5 . 1 1 74 74 ARG H H 74 8.443 8.443 7.801 0.642 18415 3499 1 5 . 1 1 75 75 TRP N N 75 125.690 125.690 122.907 2.783 18415 3500 1 5 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.322 0.105 18415 3501 1 5 . 1 1 75 75 TRP C C 75 180.474 180.474 178.307 2.167 18415 3502 1 5 . 1 1 75 75 TRP CA C 75 55.766 55.766 58.080 -2.314 18415 3503 1 5 . 1 1 75 75 TRP CB C 75 31.030 31.030 29.971 1.058 18415 3504 1 5 . 1 1 75 75 TRP H H 75 9.052 9.052 8.406 0.646 18415 3505 1 5 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.942 0.336 18415 3506 1 5 . 1 1 76 76 VAL C C 76 175.431 175.431 176.039 -0.608 18415 3507 1 5 . 1 1 76 76 VAL CA C 76 64.564 64.564 65.015 -0.451 18415 3508 1 5 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.410 -0.041 18415 3509 1 5 . 1 1 77 77 ASP N N 77 119.941 119.941 117.958 1.983 18415 3510 1 5 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.572 -0.594 18415 3511 1 5 . 1 1 77 77 ASP C C 77 176.293 176.293 175.563 0.730 18415 3512 1 5 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.269 -0.510 18415 3513 1 5 . 1 1 77 77 ASP CB C 77 40.410 40.410 42.377 -1.967 18415 3514 1 5 . 1 1 77 77 ASP H H 77 8.004 8.004 7.981 0.023 18415 3515 1 5 . 1 1 78 78 GLN N N 78 109.962 109.962 119.953 -9.991 18415 3516 1 5 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.389 -0.264 18415 3517 1 5 . 1 1 78 78 GLN C C 78 176.387 176.387 175.013 1.374 18415 3518 1 5 . 1 1 78 78 GLN CA C 78 57.792 57.792 56.760 1.032 18415 3519 1 5 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.216 -1.115 18415 3520 1 5 . 1 1 78 78 GLN H H 78 8.124 8.124 8.698 -0.574 18415 3521 1 5 . 1 1 79 79 THR N N 79 121.656 121.656 120.349 1.307 18415 3522 1 5 . 1 1 79 79 THR HA H 79 4.250 4.250 4.844 -0.594 18415 3523 1 5 . 1 1 79 79 THR C C 79 172.901 172.901 172.155 0.746 18415 3524 1 5 . 1 1 79 79 THR CA C 79 63.165 63.165 59.353 3.812 18415 3525 1 5 . 1 1 79 79 THR CB C 79 69.427 69.427 69.865 -0.438 18415 3526 1 5 . 1 1 79 79 THR H H 79 8.172 8.172 8.154 0.018 18415 3527 1 5 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.719 -0.197 18415 3528 1 5 . 1 1 80 80 PRO C C 80 176.940 176.940 176.379 0.561 18415 3529 1 5 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.913 0.775 18415 3530 1 5 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.454 -0.267 18415 3531 1 5 . 1 1 81 81 PHE N N 81 125.403 125.403 122.499 2.904 18415 3532 1 5 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.777 0.132 18415 3533 1 5 . 1 1 81 81 PHE C C 81 174.853 174.853 174.826 0.027 18415 3534 1 5 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.965 -0.612 18415 3535 1 5 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.329 -0.310 18415 3536 1 5 . 1 1 81 81 PHE H H 81 9.015 9.015 8.796 0.219 18415 3537 1 5 . 1 1 82 82 ASN N N 82 129.264 129.264 126.784 2.480 18415 3538 1 5 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.959 0.096 18415 3539 1 5 . 1 1 82 82 ASN C C 82 173.643 173.643 173.525 0.118 18415 3540 1 5 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.061 -2.258 18415 3541 1 5 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.074 0.421 18415 3542 1 5 . 1 1 82 82 ASN H H 82 8.985 8.985 8.347 0.638 18415 3543 1 5 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.256 -0.253 18415 3544 1 5 . 1 1 83 83 PRO C C 83 177.123 177.123 177.827 -0.704 18415 3545 1 5 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.954 -1.169 18415 3546 1 5 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.064 0.450 18415 3547 1 5 . 1 1 84 84 ARG N N 84 114.801 114.801 117.673 -2.872 18415 3548 1 5 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.149 0.174 18415 3549 1 5 . 1 1 84 84 ARG C C 84 176.890 176.890 176.142 0.748 18415 3550 1 5 . 1 1 84 84 ARG CA C 84 56.003 56.003 57.307 -1.304 18415 3551 1 5 . 1 1 84 84 ARG CB C 84 30.158 30.158 29.869 0.290 18415 3552 1 5 . 1 1 84 84 ARG H H 84 7.697 7.697 8.526 -0.829 18415 3553 1 5 . 1 1 85 85 ARG N N 85 123.958 123.958 117.509 6.449 18415 3554 1 5 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.989 0.316 18415 3555 1 5 . 1 1 85 85 ARG C C 85 173.017 173.017 173.754 -0.737 18415 3556 1 5 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.554 -0.745 18415 3557 1 5 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.305 -0.265 18415 3558 1 5 . 1 1 85 85 ARG H H 85 7.596 7.596 7.132 0.464 18415 3559 1 5 . 1 1 86 86 VAL N N 86 110.039 110.039 120.017 -9.978 18415 3560 1 5 . 1 1 86 86 VAL HA H 86 3.799 3.799 2.849 0.950 18415 3561 1 5 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.459 -2.193 18415 3562 1 5 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.649 1.577 18415 3563 1 5 . 1 1 86 86 VAL H H 86 6.570 6.570 6.785 -0.215 18415 3564 1 5 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.377 -0.055 18415 3565 1 5 . 1 1 87 87 PHE C C 87 173.471 173.471 174.282 -0.811 18415 3566 1 5 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.032 0.345 18415 3567 1 5 . 1 1 87 87 PHE CB C 87 37.384 37.384 37.146 0.238 18415 3568 1 5 . 1 1 88 88 TRP N N 88 118.538 118.538 121.896 -3.358 18415 3569 1 5 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.602 0.200 18415 3570 1 5 . 1 1 88 88 TRP C C 88 179.297 179.297 176.971 2.326 18415 3571 1 5 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.263 -0.026 18415 3572 1 5 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.602 0.948 18415 3573 1 5 . 1 1 88 88 TRP H H 88 6.633 6.633 7.544 -0.911 18415 3574 1 5 . 1 1 89 89 HIS N N 89 122.693 122.693 118.757 3.936 18415 3575 1 5 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.646 -0.275 18415 3576 1 5 . 1 1 89 89 HIS C C 89 175.621 175.621 175.749 -0.128 18415 3577 1 5 . 1 1 89 89 HIS CA C 89 58.121 58.121 56.708 1.413 18415 3578 1 5 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.433 1.279 18415 3579 1 5 . 1 1 89 89 HIS H H 89 9.473 9.473 8.961 0.512 18415 3580 1 5 . 1 1 90 90 LYS N N 90 120.826 120.826 117.653 3.173 18415 3581 1 5 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.504 -0.393 18415 3582 1 5 . 1 1 90 90 LYS C C 90 177.228 177.228 176.681 0.547 18415 3583 1 5 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.342 0.900 18415 3584 1 5 . 1 1 90 90 LYS CB C 90 32.482 32.482 34.169 -1.687 18415 3585 1 5 . 1 1 90 90 LYS H H 90 8.741 8.741 9.178 -0.437 18415 3586 1 5 . 1 1 91 91 ASN N N 91 117.166 117.166 117.053 0.113 18415 3587 1 5 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.763 -0.447 18415 3588 1 5 . 1 1 91 91 ASN C C 91 173.391 173.391 173.878 -0.487 18415 3589 1 5 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.486 1.849 18415 3590 1 5 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.462 -2.077 18415 3591 1 5 . 1 1 91 91 ASN H H 91 8.906 8.906 8.396 0.510 18415 3592 1 5 . 1 1 92 92 GLU N N 92 116.991 116.991 120.011 -3.020 18415 3593 1 5 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.765 -0.478 18415 3594 1 5 . 1 1 92 92 GLU C C 92 173.188 173.188 174.144 -0.956 18415 3595 1 5 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.084 0.187 18415 3596 1 5 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.471 -0.017 18415 3597 1 5 . 1 1 92 92 GLU H H 92 7.738 7.738 8.137 -0.399 18415 3598 1 5 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.776 -0.132 18415 3599 1 5 . 1 1 95 95 ASN C C 95 175.699 175.699 174.532 1.167 18415 3600 1 5 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.468 -0.009 18415 3601 1 5 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.180 -0.455 18415 3602 1 5 . 1 1 96 96 SER N N 96 116.489 116.489 114.227 2.262 18415 3603 1 5 . 1 1 96 96 SER HA H 96 4.405 4.405 4.573 -0.168 18415 3604 1 5 . 1 1 96 96 SER C C 96 174.831 174.831 172.811 2.020 18415 3605 1 5 . 1 1 96 96 SER CA C 96 58.753 58.753 58.002 0.751 18415 3606 1 5 . 1 1 96 96 SER CB C 96 64.216 64.216 64.013 0.203 18415 3607 1 5 . 1 1 96 96 SER H H 96 8.118 8.118 7.620 0.498 18415 3608 1 5 . 1 1 97 97 GLN N N 97 121.023 121.023 123.046 -2.023 18415 3609 1 5 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.555 -0.303 18415 3610 1 5 . 1 1 97 97 GLN C C 97 176.063 176.063 175.111 0.952 18415 3611 1 5 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.126 0.831 18415 3612 1 5 . 1 1 97 97 GLN CB C 97 29.528 29.528 28.662 0.866 18415 3613 1 5 . 1 1 97 97 GLN H H 97 8.371 8.371 8.617 -0.246 18415 3614 1 5 . 1 1 98 98 GLY N N 98 110.498 110.498 109.354 1.144 18415 3615 1 5 . 1 1 98 98 GLY C C 98 172.460 172.460 173.365 -0.905 18415 3616 1 5 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.598 -0.662 18415 3617 1 5 . 1 1 98 98 GLY H H 98 8.080 8.080 7.928 0.152 18415 3618 1 5 . 1 1 99 99 GLU N N 99 119.919 119.919 121.018 -1.099 18415 3619 1 5 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.924 0.347 18415 3620 1 5 . 1 1 99 99 GLU C C 99 176.605 176.605 175.014 1.591 18415 3621 1 5 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.542 -0.034 18415 3622 1 5 . 1 1 99 99 GLU CB C 99 29.469 29.469 28.226 1.243 18415 3623 1 5 . 1 1 99 99 GLU H H 99 8.004 8.004 8.780 -0.776 18415 3624 1 5 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.264 0.016 18415 3625 1 5 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.511 0.870 18415 3626 1 5 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.951 1.966 18415 3627 1 5 . 1 1 101 101 CYS N N 101 121.118 121.118 123.285 -2.167 18415 3628 1 5 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.045 0.445 18415 3629 1 5 . 1 1 101 101 CYS CA C 101 59.338 59.338 55.660 3.678 18415 3630 1 5 . 1 1 101 101 CYS CB C 101 43.778 43.778 29.443 14.335 18415 3631 1 5 . 1 1 101 101 CYS H H 101 9.707 9.707 8.705 1.002 18415 3632 1 5 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.218 -0.032 18415 3633 1 5 . 1 1 102 102 VAL C C 102 175.530 175.530 175.676 -0.146 18415 3634 1 5 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.783 2.249 18415 3635 1 5 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.835 2.319 18415 3636 1 5 . 1 1 103 103 VAL N N 103 115.890 115.890 117.430 -1.540 18415 3637 1 5 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.935 0.413 18415 3638 1 5 . 1 1 103 103 VAL C C 103 175.136 175.136 174.779 0.357 18415 3639 1 5 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.839 -1.102 18415 3640 1 5 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.054 0.080 18415 3641 1 5 . 1 1 103 103 VAL H H 103 8.698 8.698 8.590 0.108 18415 3642 1 5 . 1 1 104 104 LEU N N 104 124.477 124.477 124.942 -0.465 18415 3643 1 5 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.069 -0.093 18415 3644 1 5 . 1 1 104 104 LEU C C 104 176.248 176.248 176.136 0.112 18415 3645 1 5 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.902 0.091 18415 3646 1 5 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.612 3.230 18415 3647 1 5 . 1 1 104 104 LEU H H 104 9.453 9.453 9.183 0.270 18415 3648 1 5 . 1 1 105 105 VAL N N 105 123.109 123.109 124.521 -1.412 18415 3649 1 5 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.737 0.278 18415 3650 1 5 . 1 1 105 105 VAL C C 105 173.635 173.635 173.646 -0.011 18415 3651 1 5 . 1 1 105 105 VAL CA C 105 61.233 61.233 58.984 2.249 18415 3652 1 5 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.225 0.409 18415 3653 1 5 . 1 1 105 105 VAL H H 105 9.477 9.477 8.840 0.637 18415 3654 1 5 . 1 1 106 106 TYR N N 106 136.491 136.491 128.366 8.125 18415 3655 1 5 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.060 0.405 18415 3656 1 5 . 1 1 106 106 TYR C C 106 175.009 175.009 173.930 1.079 18415 3657 1 5 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.544 -0.495 18415 3658 1 5 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.780 0.171 18415 3659 1 5 . 1 1 106 106 TYR H H 106 9.509 9.509 8.543 0.966 18415 3660 1 5 . 1 1 107 107 ASN N N 107 124.433 124.433 125.390 -0.957 18415 3661 1 5 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.684 -0.134 18415 3662 1 5 . 1 1 107 107 ASN C C 107 173.919 173.919 173.884 0.035 18415 3663 1 5 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.617 -0.008 18415 3664 1 5 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.344 -0.334 18415 3665 1 5 . 1 1 107 107 ASN H H 107 8.329 8.329 8.403 -0.074 18415 3666 1 5 . 1 1 108 108 GLN N N 108 119.681 119.681 120.318 -0.637 18415 3667 1 5 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.826 -0.172 18415 3668 1 5 . 1 1 108 108 GLN C C 108 175.060 175.060 174.706 0.354 18415 3669 1 5 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.890 0.716 18415 3670 1 5 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.438 -1.174 18415 3671 1 5 . 1 1 108 108 GLN H H 108 8.558 8.558 8.642 -0.084 18415 3672 1 5 . 1 1 109 109 ASP N N 109 109.712 109.712 112.457 -2.745 18415 3673 1 5 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.981 -0.004 18415 3674 1 5 . 1 1 109 109 ASP C C 109 174.354 174.354 174.877 -0.523 18415 3675 1 5 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.516 -0.317 18415 3676 1 5 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.900 -0.874 18415 3677 1 5 . 1 1 109 109 ASP H H 109 8.199 8.199 7.955 0.244 18415 3678 1 5 . 1 1 110 110 LYS N N 110 115.590 115.590 117.653 -2.063 18415 3679 1 5 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.672 -0.120 18415 3680 1 5 . 1 1 110 110 LYS C C 110 174.674 174.674 175.634 -0.960 18415 3681 1 5 . 1 1 110 110 LYS CA C 110 55.469 55.469 55.166 0.303 18415 3682 1 5 . 1 1 110 110 LYS CB C 110 35.589 35.589 33.994 1.595 18415 3683 1 5 . 1 1 110 110 LYS H H 110 7.081 7.081 7.306 -0.225 18415 3684 1 5 . 1 1 111 111 TRP N N 111 122.248 122.248 124.304 -2.056 18415 3685 1 5 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.204 -0.131 18415 3686 1 5 . 1 1 111 111 TRP C C 111 175.920 175.920 176.511 -0.591 18415 3687 1 5 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.653 -0.464 18415 3688 1 5 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.491 0.378 18415 3689 1 5 . 1 1 111 111 TRP H H 111 8.650 8.650 8.667 -0.017 18415 3690 1 5 . 1 1 112 112 ALA N N 112 124.184 124.184 123.756 0.428 18415 3691 1 5 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.659 -0.491 18415 3692 1 5 . 1 1 112 112 ALA C C 112 174.995 174.995 175.289 -0.294 18415 3693 1 5 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.397 0.918 18415 3694 1 5 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.931 -5.049 18415 3695 1 5 . 1 1 112 112 ALA H H 112 8.790 8.790 8.936 -0.146 18415 3696 1 5 . 1 1 113 113 TRP N N 113 118.725 118.725 119.727 -1.002 18415 3697 1 5 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.370 0.786 18415 3698 1 5 . 1 1 113 113 TRP C C 113 177.471 177.471 176.782 0.689 18415 3699 1 5 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.633 -0.018 18415 3700 1 5 . 1 1 113 113 TRP CB C 113 32.374 32.374 28.960 3.414 18415 3701 1 5 . 1 1 113 113 TRP H H 113 8.969 8.969 8.826 0.143 18415 3702 1 5 . 1 1 114 114 ASN N N 114 120.479 120.479 121.266 -0.787 18415 3703 1 5 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.339 0.151 18415 3704 1 5 . 1 1 114 114 ASN C C 114 174.708 174.708 174.561 0.147 18415 3705 1 5 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.941 -0.183 18415 3706 1 5 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.083 -0.065 18415 3707 1 5 . 1 1 114 114 ASN H H 114 9.518 9.518 9.119 0.399 18415 3708 1 5 . 1 1 115 115 ASP N N 115 118.209 118.209 126.979 -8.770 18415 3709 1 5 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.769 1.102 18415 3710 1 5 . 1 1 115 115 ASP C C 115 174.291 174.291 174.502 -0.211 18415 3711 1 5 . 1 1 115 115 ASP CA C 115 52.187 52.187 55.947 -3.760 18415 3712 1 5 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.221 -0.717 18415 3713 1 5 . 1 1 115 115 ASP H H 115 8.563 8.563 8.961 -0.398 18415 3714 1 5 . 1 1 116 116 VAL N N 116 118.669 118.669 122.628 -3.959 18415 3715 1 5 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.509 0.386 18415 3716 1 5 . 1 1 116 116 VAL C C 116 172.334 172.334 173.324 -0.990 18415 3717 1 5 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.236 0.045 18415 3718 1 5 . 1 1 116 116 VAL CB C 116 34.333 34.333 36.302 -1.969 18415 3719 1 5 . 1 1 116 116 VAL H H 116 9.369 9.369 8.364 1.005 18415 3720 1 5 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.947 -0.013 18415 3721 1 5 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.942 0.134 18415 3722 1 5 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.674 0.685 18415 3723 1 5 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.511 -0.061 18415 3724 1 5 . 1 1 118 118 CYS C C 118 175.583 175.583 175.944 -0.361 18415 3725 1 5 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.956 -2.053 18415 3726 1 5 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.423 17.418 18415 3727 1 5 . 1 1 119 119 ASN N N 119 117.251 117.251 116.401 0.850 18415 3728 1 5 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.852 0.061 18415 3729 1 5 . 1 1 119 119 ASN C C 119 174.849 174.849 174.018 0.831 18415 3730 1 5 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.351 -0.209 18415 3731 1 5 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.924 -1.848 18415 3732 1 5 . 1 1 119 119 ASN H H 119 8.411 8.411 8.541 -0.130 18415 3733 1 5 . 1 1 120 120 PHE N N 120 123.415 123.415 122.302 1.113 18415 3734 1 5 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.707 -0.161 18415 3735 1 5 . 1 1 120 120 PHE C C 120 173.156 173.156 174.582 -1.426 18415 3736 1 5 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.459 1.901 18415 3737 1 5 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.959 -0.510 18415 3738 1 5 . 1 1 120 120 PHE H H 120 8.097 8.097 8.134 -0.037 18415 3739 1 5 . 1 1 121 121 GLU N N 121 119.143 119.143 127.039 -7.896 18415 3740 1 5 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.432 0.121 18415 3741 1 5 . 1 1 121 121 GLU C C 121 174.732 174.732 175.033 -0.301 18415 3742 1 5 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.868 -2.280 18415 3743 1 5 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.267 1.153 18415 3744 1 5 . 1 1 121 121 GLU H H 121 7.012 7.012 8.491 -1.479 18415 3745 1 5 . 1 1 122 122 ALA N N 122 125.793 125.793 127.993 -2.200 18415 3746 1 5 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.527 -0.056 18415 3747 1 5 . 1 1 122 122 ALA C C 122 177.616 177.616 176.161 1.455 18415 3748 1 5 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.989 0.254 18415 3749 1 5 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.585 -1.983 18415 3750 1 5 . 1 1 122 122 ALA H H 122 8.441 8.441 9.020 -0.579 18415 3751 1 5 . 1 1 123 123 SER N N 123 115.420 115.420 114.900 0.520 18415 3752 1 5 . 1 1 123 123 SER HA H 123 4.522 4.522 4.648 -0.126 18415 3753 1 5 . 1 1 123 123 SER C C 123 172.514 172.514 174.569 -2.055 18415 3754 1 5 . 1 1 123 123 SER CA C 123 60.661 60.661 58.127 2.534 18415 3755 1 5 . 1 1 123 123 SER CB C 123 62.943 62.943 63.697 -0.754 18415 3756 1 5 . 1 1 123 123 SER H H 123 7.716 7.716 8.109 -0.393 18415 3757 1 5 . 1 1 124 124 ARG N N 124 112.529 112.529 116.869 -4.340 18415 3758 1 5 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.146 0.344 18415 3759 1 5 . 1 1 124 124 ARG C C 124 173.779 173.779 174.357 -0.578 18415 3760 1 5 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.419 0.520 18415 3761 1 5 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.944 -2.019 18415 3762 1 5 . 1 1 124 124 ARG H H 124 8.840 8.840 9.031 -0.191 18415 3763 1 5 . 1 1 125 125 ILE N N 125 116.525 116.525 120.854 -4.329 18415 3764 1 5 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.740 -0.022 18415 3765 1 5 . 1 1 125 125 ILE C C 125 175.656 175.656 174.642 1.014 18415 3766 1 5 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.661 1.175 18415 3767 1 5 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.685 0.873 18415 3768 1 5 . 1 1 125 125 ILE H H 125 6.989 6.989 8.247 -1.258 18415 3769 1 5 . 1 1 126 126 CYS N N 126 123.910 123.910 128.291 -4.381 18415 3770 1 5 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.004 0.566 18415 3771 1 5 . 1 1 126 126 CYS C C 126 173.662 173.662 173.190 0.472 18415 3772 1 5 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.392 -5.552 18415 3773 1 5 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.703 10.438 18415 3774 1 5 . 1 1 126 126 CYS H H 126 8.288 8.288 9.141 -0.853 18415 3775 1 5 . 1 1 127 127 LYS N N 127 124.170 124.170 129.903 -5.733 18415 3776 1 5 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.522 0.097 18415 3777 1 5 . 1 1 127 127 LYS C C 127 174.637 174.637 174.423 0.214 18415 3778 1 5 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.585 0.650 18415 3779 1 5 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.239 2.279 18415 3780 1 5 . 1 1 127 127 LYS H H 127 9.681 9.681 9.411 0.270 18415 3781 1 5 . 1 1 128 128 ILE N N 128 129.226 129.226 125.735 3.491 18415 3782 1 5 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.769 0.131 18415 3783 1 5 . 1 1 128 128 ILE C C 128 172.463 172.463 172.585 -0.122 18415 3784 1 5 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.366 1.018 18415 3785 1 5 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.435 1.453 18415 3786 1 5 . 1 1 128 128 ILE H H 128 9.205 9.205 9.245 -0.040 18415 3787 1 5 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.718 0.273 18415 3788 1 5 . 1 1 129 129 PRO C C 129 177.954 177.954 177.226 0.728 18415 3789 1 5 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.540 0.084 18415 3790 1 5 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.051 0.450 18415 3791 1 5 . 1 1 130 130 GLY N N 130 110.745 110.745 108.914 1.831 18415 3792 1 5 . 1 1 130 130 GLY C C 130 175.022 175.022 174.505 0.517 18415 3793 1 5 . 1 1 130 130 GLY CA C 130 46.256 46.256 44.997 1.259 18415 3794 1 5 . 1 1 130 130 GLY H H 130 8.673 8.673 8.781 -0.108 18415 3795 1 5 . 1 1 131 131 THR N N 131 112.246 112.246 115.900 -3.654 18415 3796 1 5 . 1 1 131 131 THR HA H 131 4.427 4.427 4.315 0.112 18415 3797 1 5 . 1 1 131 131 THR C C 131 175.259 175.259 175.135 0.124 18415 3798 1 5 . 1 1 131 131 THR CA C 131 61.500 61.500 61.163 0.337 18415 3799 1 5 . 1 1 131 131 THR CB C 131 69.998 69.998 68.390 1.608 18415 3800 1 5 . 1 1 131 131 THR H H 131 7.870 7.870 8.290 -0.420 18415 3801 1 5 . 1 1 132 132 THR N N 132 116.455 116.455 117.603 -1.148 18415 3802 1 5 . 1 1 132 132 THR HA H 132 4.281 4.281 3.880 0.401 18415 3803 1 5 . 1 1 132 132 THR C C 132 174.867 174.867 175.153 -0.286 18415 3804 1 5 . 1 1 132 132 THR CA C 132 62.453 62.453 66.163 -3.710 18415 3805 1 5 . 1 1 132 132 THR CB C 132 69.868 69.868 68.046 1.822 18415 3806 1 5 . 1 1 132 132 THR H H 132 8.120 8.120 8.276 -0.156 18415 3807 1 5 . 1 1 133 133 LEU N N 133 124.001 124.001 118.709 5.292 18415 3808 1 5 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.061 0.201 18415 3809 1 5 . 1 1 133 133 LEU C C 133 177.365 177.365 178.486 -1.121 18415 3810 1 5 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.660 -0.913 18415 3811 1 5 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.463 0.859 18415 3812 1 5 . 1 1 133 133 LEU H H 133 8.117 8.117 7.866 0.251 18415 3813 1 5 . 1 1 134 134 ASN N N 134 119.222 119.222 117.097 2.125 18415 3814 1 5 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.602 0.019 18415 3815 1 5 . 1 1 134 134 ASN C C 134 175.725 175.725 176.244 -0.519 18415 3816 1 5 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.891 -1.266 18415 3817 1 5 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.851 -1.015 18415 3818 1 5 . 1 1 134 134 ASN H H 134 8.325 8.325 7.747 0.578 18415 3819 1 5 . 1 1 135 135 ALA N N 135 123.649 123.649 122.605 1.044 18415 3820 1 5 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.603 -0.474 18415 3821 1 5 . 1 1 135 135 ALA C C 135 179.061 179.061 177.767 1.294 18415 3822 1 5 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.159 2.773 18415 3823 1 5 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.663 1.276 18415 3824 1 5 . 1 1 135 135 ALA H H 135 8.205 8.205 8.308 -0.103 18415 3825 1 5 . 1 1 136 136 GLU N N 136 119.187 119.187 120.069 -0.882 18415 3826 1 5 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.008 0.197 18415 3827 1 5 . 1 1 136 136 GLU C C 136 177.504 177.504 178.629 -1.125 18415 3828 1 5 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.840 -1.961 18415 3829 1 5 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.504 0.142 18415 3830 1 5 . 1 1 136 136 GLU H H 136 8.349 8.349 7.692 0.657 18415 3831 1 5 . 1 1 137 137 ASN N N 137 118.988 118.988 117.092 1.896 18415 3832 1 5 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.636 0.001 18415 3833 1 5 . 1 1 137 137 ASN C C 137 176.785 176.785 177.148 -0.363 18415 3834 1 5 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.371 -0.897 18415 3835 1 5 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.101 0.608 18415 3836 1 5 . 1 1 137 137 ASN H H 137 8.259 8.259 8.389 -0.130 18415 3837 1 5 . 1 1 138 138 LEU N N 138 121.438 121.438 120.956 0.482 18415 3838 1 5 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.030 0.105 18415 3839 1 5 . 1 1 138 138 LEU C C 138 178.872 178.872 178.165 0.707 18415 3840 1 5 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.653 -0.726 18415 3841 1 5 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.174 -0.173 18415 3842 1 5 . 1 1 138 138 LEU H H 138 8.084 8.084 7.454 0.630 18415 3843 1 5 . 1 1 139 139 TYR N N 139 120.558 120.558 117.521 3.037 18415 3844 1 5 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.115 0.171 18415 3845 1 5 . 1 1 139 139 TYR C C 139 177.587 177.587 176.829 0.758 18415 3846 1 5 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.958 -0.813 18415 3847 1 5 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.763 -0.397 18415 3848 1 5 . 1 1 139 139 TYR H H 139 8.130 8.130 8.407 -0.277 18415 3849 1 5 . 1 1 140 140 PHE N N 140 120.508 120.508 118.381 2.127 18415 3850 1 5 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.288 0.067 18415 3851 1 5 . 1 1 140 140 PHE C C 140 177.425 177.425 176.675 0.750 18415 3852 1 5 . 1 1 140 140 PHE CA C 140 59.630 59.630 59.857 -0.227 18415 3853 1 5 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.863 -0.611 18415 3854 1 5 . 1 1 140 140 PHE H H 140 8.275 8.275 7.665 0.610 18415 3855 1 5 . 1 1 141 141 GLN N N 141 119.274 119.274 117.682 1.592 18415 3856 1 5 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.244 -0.131 18415 3857 1 5 . 1 1 141 141 GLN C C 141 176.976 176.976 176.016 0.960 18415 3858 1 5 . 1 1 141 141 GLN CA C 141 57.363 57.363 55.819 1.544 18415 3859 1 5 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.029 -0.001 18415 3860 1 5 . 1 1 141 141 GLN H H 141 8.250 8.250 7.732 0.518 18415 3861 1 6 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.399 -0.612 18415 3862 1 6 . 1 1 2 2 VAL C C 2 172.250 172.250 174.569 -2.319 18415 3863 1 6 . 1 1 2 2 VAL CA C 2 61.294 61.294 59.146 2.148 18415 3864 1 6 . 1 1 2 2 VAL CB C 2 33.708 33.708 33.895 -0.187 18415 3865 1 6 . 1 1 3 3 CYS N N 3 121.988 121.988 118.870 3.118 18415 3866 1 6 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.557 0.648 18415 3867 1 6 . 1 1 3 3 CYS C C 3 171.993 171.993 173.742 -1.749 18415 3868 1 6 . 1 1 3 3 CYS CA C 3 52.044 52.044 55.422 -3.378 18415 3869 1 6 . 1 1 3 3 CYS CB C 3 39.461 39.461 27.248 12.213 18415 3870 1 6 . 1 1 3 3 CYS H H 3 8.628 8.628 8.422 0.206 18415 3871 1 6 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.996 -0.173 18415 3872 1 6 . 1 1 5 5 ILE C C 5 176.622 176.622 175.493 1.129 18415 3873 1 6 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.376 0.924 18415 3874 1 6 . 1 1 5 5 ILE CB C 5 38.044 38.044 35.427 2.617 18415 3875 1 6 . 1 1 6 6 ASP N N 6 117.894 117.894 124.277 -6.383 18415 3876 1 6 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.798 -0.454 18415 3877 1 6 . 1 1 6 6 ASP H H 6 8.606 8.606 8.651 -0.045 18415 3878 1 6 . 1 1 7 7 TRP N N 7 120.564 120.564 122.581 -2.017 18415 3879 1 6 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.576 0.114 18415 3880 1 6 . 1 1 7 7 TRP C C 7 176.415 176.415 176.675 -0.260 18415 3881 1 6 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.550 -0.513 18415 3882 1 6 . 1 1 7 7 TRP CB C 7 28.771 28.771 28.821 -0.050 18415 3883 1 6 . 1 1 7 7 TRP H H 7 8.208 8.208 7.773 0.435 18415 3884 1 6 . 1 1 8 8 ARG N N 8 119.872 119.872 125.002 -5.130 18415 3885 1 6 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.321 0.365 18415 3886 1 6 . 1 1 8 8 ARG C C 8 176.146 176.146 176.085 0.061 18415 3887 1 6 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.322 -0.381 18415 3888 1 6 . 1 1 8 8 ARG CB C 8 31.563 31.563 28.574 2.989 18415 3889 1 6 . 1 1 8 8 ARG H H 8 9.456 9.456 9.155 0.301 18415 3890 1 6 . 1 1 9 9 ALA N N 9 127.265 127.265 129.534 -2.269 18415 3891 1 6 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.060 0.331 18415 3892 1 6 . 1 1 9 9 ALA C C 9 176.927 176.927 176.434 0.493 18415 3893 1 6 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.651 0.359 18415 3894 1 6 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.721 2.942 18415 3895 1 6 . 1 1 9 9 ALA H H 9 8.819 8.819 8.417 0.402 18415 3896 1 6 . 1 1 10 10 PHE N N 10 120.450 120.450 126.524 -6.074 18415 3897 1 6 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.801 -0.607 18415 3898 1 6 . 1 1 10 10 PHE C C 10 174.606 174.606 174.841 -0.235 18415 3899 1 6 . 1 1 10 10 PHE CA C 10 58.526 58.526 58.140 0.386 18415 3900 1 6 . 1 1 10 10 PHE CB C 10 40.861 40.861 42.785 -1.924 18415 3901 1 6 . 1 1 10 10 PHE H H 10 8.202 8.202 9.125 -0.923 18415 3902 1 6 . 1 1 11 11 GLN N N 11 126.391 126.391 124.357 2.034 18415 3903 1 6 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.551 -0.090 18415 3904 1 6 . 1 1 11 11 GLN C C 11 175.859 175.859 175.664 0.195 18415 3905 1 6 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.882 -0.630 18415 3906 1 6 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.540 -1.578 18415 3907 1 6 . 1 1 11 11 GLN H H 11 8.872 8.872 8.509 0.363 18415 3908 1 6 . 1 1 12 12 SER N N 12 113.087 113.087 113.220 -0.133 18415 3909 1 6 . 1 1 12 12 SER HA H 12 4.252 4.252 4.658 -0.406 18415 3910 1 6 . 1 1 12 12 SER C C 12 173.339 173.339 172.619 0.720 18415 3911 1 6 . 1 1 12 12 SER CA C 12 59.795 59.795 58.383 1.412 18415 3912 1 6 . 1 1 12 12 SER CB C 12 62.943 62.943 65.550 -2.607 18415 3913 1 6 . 1 1 12 12 SER H H 12 8.189 8.189 8.238 -0.049 18415 3914 1 6 . 1 1 13 13 ASN N N 13 118.336 118.336 119.789 -1.453 18415 3915 1 6 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.974 0.282 18415 3916 1 6 . 1 1 13 13 ASN C C 13 174.330 174.330 173.168 1.162 18415 3917 1 6 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.378 -0.036 18415 3918 1 6 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.242 1.216 18415 3919 1 6 . 1 1 13 13 ASN H H 13 8.242 8.242 8.121 0.121 18415 3920 1 6 . 1 1 14 14 CYS N N 14 118.315 118.315 117.640 0.675 18415 3921 1 6 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.138 0.723 18415 3922 1 6 . 1 1 14 14 CYS C C 14 174.314 174.314 173.550 0.764 18415 3923 1 6 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.625 -3.940 18415 3924 1 6 . 1 1 14 14 CYS CB C 14 44.019 44.019 27.685 16.334 18415 3925 1 6 . 1 1 14 14 CYS H H 14 8.592 8.592 8.817 -0.225 18415 3926 1 6 . 1 1 15 15 TYR N N 15 121.588 121.588 121.484 0.104 18415 3927 1 6 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.424 0.353 18415 3928 1 6 . 1 1 15 15 TYR C C 15 176.333 176.333 174.228 2.105 18415 3929 1 6 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.782 1.834 18415 3930 1 6 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.446 3.137 18415 3931 1 6 . 1 1 15 15 TYR H H 15 9.947 9.947 9.405 0.542 18415 3932 1 6 . 1 1 16 16 PHE N N 16 121.989 121.989 122.263 -0.274 18415 3933 1 6 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.807 0.104 18415 3934 1 6 . 1 1 16 16 PHE C C 16 172.937 172.937 172.624 0.313 18415 3935 1 6 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.786 -1.388 18415 3936 1 6 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.652 -2.582 18415 3937 1 6 . 1 1 16 16 PHE H H 16 8.717 8.717 9.099 -0.382 18415 3938 1 6 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.793 0.323 18415 3939 1 6 . 1 1 17 17 PRO C C 17 175.445 175.445 175.214 0.231 18415 3940 1 6 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.920 -0.432 18415 3941 1 6 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.138 -0.147 18415 3942 1 6 . 1 1 18 18 LEU N N 18 126.062 126.062 124.326 1.736 18415 3943 1 6 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.734 -0.053 18415 3944 1 6 . 1 1 18 18 LEU C C 18 177.391 177.391 177.402 -0.011 18415 3945 1 6 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.471 0.889 18415 3946 1 6 . 1 1 18 18 LEU CB C 18 45.482 45.482 45.316 0.166 18415 3947 1 6 . 1 1 18 18 LEU H H 18 9.054 9.054 9.217 -0.163 18415 3948 1 6 . 1 1 19 19 THR N N 19 109.256 109.256 112.889 -3.633 18415 3949 1 6 . 1 1 19 19 THR HA H 19 4.612 4.612 4.300 0.312 18415 3950 1 6 . 1 1 19 19 THR C C 19 175.613 175.613 174.198 1.415 18415 3951 1 6 . 1 1 19 19 THR CA C 19 62.236 62.236 60.952 1.284 18415 3952 1 6 . 1 1 19 19 THR CB C 19 69.530 69.530 68.937 0.593 18415 3953 1 6 . 1 1 19 19 THR H H 19 8.303 8.303 8.551 -0.248 18415 3954 1 6 . 1 1 20 20 ASP N N 20 121.645 121.645 123.014 -1.369 18415 3955 1 6 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.655 -0.198 18415 3956 1 6 . 1 1 20 20 ASP C C 20 174.684 174.684 175.996 -1.312 18415 3957 1 6 . 1 1 20 20 ASP CA C 20 53.118 53.118 55.016 -1.898 18415 3958 1 6 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.123 -2.054 18415 3959 1 6 . 1 1 20 20 ASP H H 20 8.834 8.834 8.034 0.799 18415 3960 1 6 . 1 1 21 21 ASN N N 21 118.648 118.648 118.555 0.093 18415 3961 1 6 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.531 0.115 18415 3962 1 6 . 1 1 21 21 ASN C C 21 176.542 176.542 174.409 2.133 18415 3963 1 6 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.889 0.563 18415 3964 1 6 . 1 1 21 21 ASN CB C 21 39.453 39.453 37.571 1.882 18415 3965 1 6 . 1 1 21 21 ASN H H 21 8.113 8.113 8.507 -0.394 18415 3966 1 6 . 1 1 22 22 LYS N N 22 122.470 122.470 124.216 -1.746 18415 3967 1 6 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.862 -0.006 18415 3968 1 6 . 1 1 22 22 LYS C C 22 176.711 176.711 176.118 0.593 18415 3969 1 6 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.652 1.013 18415 3970 1 6 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.184 2.355 18415 3971 1 6 . 1 1 22 22 LYS H H 22 8.794 8.794 8.307 0.487 18415 3972 1 6 . 1 1 23 23 THR N N 23 109.009 109.009 114.592 -5.583 18415 3973 1 6 . 1 1 23 23 THR HA H 23 5.647 5.647 5.177 0.470 18415 3974 1 6 . 1 1 23 23 THR C C 23 178.411 178.411 176.055 2.356 18415 3975 1 6 . 1 1 23 23 THR CA C 23 61.773 61.773 60.380 1.393 18415 3976 1 6 . 1 1 23 23 THR CB C 23 71.820 71.820 70.032 1.788 18415 3977 1 6 . 1 1 23 23 THR H H 23 8.250 8.250 9.458 -1.208 18415 3978 1 6 . 1 1 24 24 TRP N N 24 126.345 126.345 123.401 2.944 18415 3979 1 6 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.953 -0.923 18415 3980 1 6 . 1 1 24 24 TRP C C 24 178.204 178.204 177.819 0.385 18415 3981 1 6 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.352 3.229 18415 3982 1 6 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.527 1.127 18415 3983 1 6 . 1 1 24 24 TRP H H 24 8.279 8.279 8.710 -0.431 18415 3984 1 6 . 1 1 25 25 ALA N N 25 119.965 119.965 120.756 -0.791 18415 3985 1 6 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.023 -0.075 18415 3986 1 6 . 1 1 25 25 ALA C C 25 182.089 182.089 179.581 2.508 18415 3987 1 6 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.274 0.616 18415 3988 1 6 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.026 0.229 18415 3989 1 6 . 1 1 25 25 ALA H H 25 9.634 9.634 8.136 1.498 18415 3990 1 6 . 1 1 26 26 GLU N N 26 116.492 116.492 118.382 -1.890 18415 3991 1 6 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.892 0.171 18415 3992 1 6 . 1 1 26 26 GLU C C 26 179.756 179.756 179.161 0.595 18415 3993 1 6 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.505 -1.210 18415 3994 1 6 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.558 0.925 18415 3995 1 6 . 1 1 26 26 GLU H H 26 7.392 7.392 7.778 -0.386 18415 3996 1 6 . 1 1 27 27 SER N N 27 121.197 121.197 114.599 6.598 18415 3997 1 6 . 1 1 27 27 SER HA H 27 3.855 3.855 4.084 -0.229 18415 3998 1 6 . 1 1 27 27 SER C C 27 174.299 174.299 176.397 -2.098 18415 3999 1 6 . 1 1 27 27 SER CA C 27 63.344 63.344 62.033 1.311 18415 4000 1 6 . 1 1 27 27 SER CB C 27 62.329 62.329 62.425 -0.096 18415 4001 1 6 . 1 1 27 27 SER H H 27 8.596 8.596 8.161 0.435 18415 4002 1 6 . 1 1 28 28 GLU N N 28 124.173 124.173 122.973 1.200 18415 4003 1 6 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.793 0.475 18415 4004 1 6 . 1 1 28 28 GLU C C 28 178.856 178.856 178.451 0.405 18415 4005 1 6 . 1 1 28 28 GLU CA C 28 58.199 58.199 59.352 -1.153 18415 4006 1 6 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.402 -2.502 18415 4007 1 6 . 1 1 28 28 GLU H H 28 8.133 8.133 8.043 0.090 18415 4008 1 6 . 1 1 29 29 ARG N N 29 120.498 120.498 117.278 3.220 18415 4009 1 6 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.202 -0.159 18415 4010 1 6 . 1 1 29 29 ARG C C 29 179.339 179.339 178.326 1.013 18415 4011 1 6 . 1 1 29 29 ARG CA C 29 59.691 59.691 57.144 2.547 18415 4012 1 6 . 1 1 29 29 ARG CB C 29 30.235 30.235 29.679 0.556 18415 4013 1 6 . 1 1 29 29 ARG H H 29 7.962 7.962 7.620 0.342 18415 4014 1 6 . 1 1 30 30 ASN N N 30 119.000 119.000 117.580 1.420 18415 4015 1 6 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.624 -0.177 18415 4016 1 6 . 1 1 30 30 ASN C C 30 178.153 178.153 175.938 2.215 18415 4017 1 6 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.473 2.177 18415 4018 1 6 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.666 0.770 18415 4019 1 6 . 1 1 30 30 ASN H H 30 7.960 7.960 8.243 -0.283 18415 4020 1 6 . 1 1 31 31 CYS N N 31 116.301 116.301 116.680 -0.379 18415 4021 1 6 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.562 -0.081 18415 4022 1 6 . 1 1 31 31 CYS C C 31 178.072 178.072 176.064 2.008 18415 4023 1 6 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.805 -4.395 18415 4024 1 6 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.834 5.875 18415 4025 1 6 . 1 1 31 31 CYS H H 31 8.477 8.477 7.983 0.494 18415 4026 1 6 . 1 1 32 32 SER N N 32 119.834 119.834 114.791 5.043 18415 4027 1 6 . 1 1 32 32 SER HA H 32 4.700 4.700 4.166 0.534 18415 4028 1 6 . 1 1 32 32 SER C C 32 179.062 179.062 176.703 2.359 18415 4029 1 6 . 1 1 32 32 SER CA C 32 61.663 61.663 60.799 0.864 18415 4030 1 6 . 1 1 32 32 SER CB C 32 62.655 62.655 61.731 0.924 18415 4031 1 6 . 1 1 32 32 SER H H 32 9.206 9.206 9.071 0.135 18415 4032 1 6 . 1 1 33 33 GLY N N 33 111.632 111.632 110.255 1.377 18415 4033 1 6 . 1 1 33 33 GLY C C 33 174.861 174.861 175.095 -0.234 18415 4034 1 6 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.218 -0.551 18415 4035 1 6 . 1 1 33 33 GLY H H 33 8.053 8.053 8.224 -0.171 18415 4036 1 6 . 1 1 34 34 MET N N 34 116.998 116.998 119.243 -2.245 18415 4037 1 6 . 1 1 34 34 MET HA H 34 4.596 4.596 4.412 0.184 18415 4038 1 6 . 1 1 34 34 MET C C 34 175.356 175.356 175.714 -0.358 18415 4039 1 6 . 1 1 34 34 MET CA C 34 54.887 54.887 54.884 0.003 18415 4040 1 6 . 1 1 34 34 MET CB C 34 33.959 33.959 32.566 1.393 18415 4041 1 6 . 1 1 34 34 MET H H 34 7.441 7.441 7.733 -0.292 18415 4042 1 6 . 1 1 35 35 GLY N N 35 106.474 106.474 106.792 -0.318 18415 4043 1 6 . 1 1 35 35 GLY C C 35 173.112 173.112 173.015 0.097 18415 4044 1 6 . 1 1 35 35 GLY CA C 35 45.401 45.401 44.979 0.422 18415 4045 1 6 . 1 1 35 35 GLY H H 35 7.807 7.807 7.805 0.002 18415 4046 1 6 . 1 1 36 36 ALA N N 36 121.833 121.833 120.593 1.240 18415 4047 1 6 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.371 0.331 18415 4048 1 6 . 1 1 36 36 ALA C C 36 174.285 174.285 174.556 -0.271 18415 4049 1 6 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.153 -1.432 18415 4050 1 6 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.547 3.115 18415 4051 1 6 . 1 1 36 36 ALA H H 36 7.693 7.693 6.932 0.761 18415 4052 1 6 . 1 1 37 37 HIS N N 37 111.683 111.683 114.871 -3.188 18415 4053 1 6 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.023 0.108 18415 4054 1 6 . 1 1 37 37 HIS C C 37 175.351 175.351 174.631 0.720 18415 4055 1 6 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.064 -0.491 18415 4056 1 6 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.947 1.024 18415 4057 1 6 . 1 1 37 37 HIS H H 37 8.078 8.078 8.228 -0.150 18415 4058 1 6 . 1 1 38 38 LEU N N 38 123.260 123.260 121.038 2.222 18415 4059 1 6 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.525 0.248 18415 4060 1 6 . 1 1 38 38 LEU C C 38 179.180 179.180 177.639 1.541 18415 4061 1 6 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.253 1.113 18415 4062 1 6 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.481 1.175 18415 4063 1 6 . 1 1 38 38 LEU H H 38 9.964 9.964 8.896 1.068 18415 4064 1 6 . 1 1 39 39 MET N N 39 119.511 119.511 121.375 -1.864 18415 4065 1 6 . 1 1 39 39 MET HA H 39 3.855 3.855 4.455 -0.600 18415 4066 1 6 . 1 1 39 39 MET C C 39 174.874 174.874 175.299 -0.425 18415 4067 1 6 . 1 1 39 39 MET CA C 39 58.789 58.789 55.029 3.760 18415 4068 1 6 . 1 1 39 39 MET CB C 39 34.405 34.405 31.677 2.728 18415 4069 1 6 . 1 1 39 39 MET H H 39 8.409 8.409 8.463 -0.054 18415 4070 1 6 . 1 1 40 40 THR N N 40 123.771 123.771 123.296 0.475 18415 4071 1 6 . 1 1 40 40 THR HA H 40 4.013 4.013 4.562 -0.549 18415 4072 1 6 . 1 1 40 40 THR C C 40 172.936 172.936 173.462 -0.526 18415 4073 1 6 . 1 1 40 40 THR CA C 40 59.869 59.869 59.355 0.514 18415 4074 1 6 . 1 1 40 40 THR CB C 40 70.587 70.587 68.826 1.761 18415 4075 1 6 . 1 1 40 40 THR H H 40 6.822 6.822 8.426 -1.604 18415 4076 1 6 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.159 0.090 18415 4077 1 6 . 1 1 41 41 ILE C C 41 174.349 174.349 175.554 -1.205 18415 4078 1 6 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.258 -2.501 18415 4079 1 6 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.660 0.911 18415 4080 1 6 . 1 1 42 42 SER N N 42 122.113 122.113 121.756 0.357 18415 4081 1 6 . 1 1 42 42 SER HA H 42 4.647 4.647 4.435 0.212 18415 4082 1 6 . 1 1 42 42 SER C C 42 174.502 174.502 174.434 0.068 18415 4083 1 6 . 1 1 42 42 SER CA C 42 59.768 59.768 58.997 0.771 18415 4084 1 6 . 1 1 42 42 SER CB C 42 64.720 64.720 64.563 0.157 18415 4085 1 6 . 1 1 42 42 SER H H 42 9.230 9.230 9.553 -0.323 18415 4086 1 6 . 1 1 43 43 THR N N 43 108.516 108.516 112.144 -3.628 18415 4087 1 6 . 1 1 43 43 THR HA H 43 4.807 4.807 4.755 0.052 18415 4088 1 6 . 1 1 43 43 THR C C 43 173.812 173.812 174.404 -0.592 18415 4089 1 6 . 1 1 43 43 THR CA C 43 59.249 59.249 60.267 -1.018 18415 4090 1 6 . 1 1 43 43 THR CB C 43 73.128 73.128 71.820 1.308 18415 4091 1 6 . 1 1 43 43 THR H H 43 7.559 7.559 8.121 -0.562 18415 4092 1 6 . 1 1 44 44 GLU N N 44 123.057 123.057 122.464 0.593 18415 4093 1 6 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.051 -0.602 18415 4094 1 6 . 1 1 44 44 GLU C C 44 178.262 178.262 178.329 -0.067 18415 4095 1 6 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.629 -0.300 18415 4096 1 6 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.068 0.374 18415 4097 1 6 . 1 1 44 44 GLU H H 44 9.377 9.377 8.976 0.401 18415 4098 1 6 . 1 1 45 45 ALA N N 45 119.910 119.910 122.524 -2.614 18415 4099 1 6 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.240 -0.190 18415 4100 1 6 . 1 1 45 45 ALA C C 45 180.096 180.096 179.674 0.422 18415 4101 1 6 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.098 0.082 18415 4102 1 6 . 1 1 45 45 ALA CB C 45 18.267 18.267 17.932 0.335 18415 4103 1 6 . 1 1 45 45 ALA H H 45 8.328 8.328 8.519 -0.191 18415 4104 1 6 . 1 1 46 46 GLU N N 46 118.861 118.861 119.243 -0.382 18415 4105 1 6 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.981 -0.369 18415 4106 1 6 . 1 1 46 46 GLU C C 46 177.452 177.452 178.337 -0.885 18415 4107 1 6 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.693 -0.409 18415 4108 1 6 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.399 1.113 18415 4109 1 6 . 1 1 46 46 GLU H H 46 7.852 7.852 7.905 -0.053 18415 4110 1 6 . 1 1 47 47 GLN N N 47 119.473 119.473 119.001 0.472 18415 4111 1 6 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.882 -0.195 18415 4112 1 6 . 1 1 47 47 GLN C C 47 176.429 176.429 178.347 -1.918 18415 4113 1 6 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.996 0.912 18415 4114 1 6 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.411 1.565 18415 4115 1 6 . 1 1 47 47 GLN H H 47 7.054 7.054 7.682 -0.628 18415 4116 1 6 . 1 1 48 48 ASN N N 48 115.182 115.182 117.502 -2.320 18415 4117 1 6 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.280 -0.067 18415 4118 1 6 . 1 1 48 48 ASN C C 48 176.986 176.986 177.167 -0.181 18415 4119 1 6 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.037 -1.008 18415 4120 1 6 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.487 -0.929 18415 4121 1 6 . 1 1 48 48 ASN H H 48 8.416 8.416 8.131 0.285 18415 4122 1 6 . 1 1 49 49 PHE N N 49 118.413 118.413 117.552 0.861 18415 4123 1 6 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.251 -0.272 18415 4124 1 6 . 1 1 49 49 PHE C C 49 177.254 177.254 177.379 -0.125 18415 4125 1 6 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.728 -0.566 18415 4126 1 6 . 1 1 49 49 PHE CB C 49 38.083 38.083 38.974 -0.891 18415 4127 1 6 . 1 1 49 49 PHE H H 49 7.473 7.473 7.653 -0.180 18415 4128 1 6 . 1 1 50 50 ILE N N 50 117.601 117.601 122.414 -4.813 18415 4129 1 6 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.858 -0.317 18415 4130 1 6 . 1 1 50 50 ILE C C 50 176.891 176.891 176.833 0.058 18415 4131 1 6 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.675 -3.023 18415 4132 1 6 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.894 1.315 18415 4133 1 6 . 1 1 50 50 ILE H H 50 7.020 7.020 8.092 -1.072 18415 4134 1 6 . 1 1 51 51 ILE N N 51 114.824 114.824 115.558 -0.734 18415 4135 1 6 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.998 -0.105 18415 4136 1 6 . 1 1 51 51 ILE C C 51 177.092 177.092 176.774 0.318 18415 4137 1 6 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.998 1.206 18415 4138 1 6 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.278 0.642 18415 4139 1 6 . 1 1 51 51 ILE H H 51 7.216 7.216 7.514 -0.298 18415 4140 1 6 . 1 1 52 52 GLN N N 52 116.767 116.767 117.442 -0.675 18415 4141 1 6 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.993 -0.223 18415 4142 1 6 . 1 1 52 52 GLN C C 52 176.442 176.442 176.585 -0.143 18415 4143 1 6 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.200 0.070 18415 4144 1 6 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.987 0.033 18415 4145 1 6 . 1 1 52 52 GLN H H 52 6.416 6.416 7.227 -0.811 18415 4146 1 6 . 1 1 53 53 PHE N N 53 115.400 115.400 116.544 -1.144 18415 4147 1 6 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.350 0.227 18415 4148 1 6 . 1 1 53 53 PHE C C 53 174.993 174.993 175.639 -0.646 18415 4149 1 6 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.107 -2.212 18415 4150 1 6 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.202 -0.669 18415 4151 1 6 . 1 1 53 53 PHE H H 53 7.216 7.216 7.439 -0.223 18415 4152 1 6 . 1 1 54 54 LEU N N 54 118.096 118.096 120.023 -1.927 18415 4153 1 6 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.931 0.160 18415 4154 1 6 . 1 1 54 54 LEU C C 54 175.467 175.467 176.101 -0.634 18415 4155 1 6 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.746 -0.175 18415 4156 1 6 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.637 0.070 18415 4157 1 6 . 1 1 54 54 LEU H H 54 6.668 6.668 7.167 -0.499 18415 4158 1 6 . 1 1 55 55 ASP N N 55 123.723 123.723 123.868 -0.145 18415 4159 1 6 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.622 0.193 18415 4160 1 6 . 1 1 55 55 ASP C C 55 177.896 177.896 177.332 0.564 18415 4161 1 6 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.773 -1.675 18415 4162 1 6 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.685 -0.024 18415 4163 1 6 . 1 1 55 55 ASP H H 55 8.687 8.687 8.370 0.317 18415 4164 1 6 . 1 1 56 56 ARG N N 56 124.370 124.370 124.426 -0.056 18415 4165 1 6 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.321 -0.011 18415 4166 1 6 . 1 1 56 56 ARG C C 56 178.201 178.201 176.812 1.389 18415 4167 1 6 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.064 1.894 18415 4168 1 6 . 1 1 56 56 ARG CB C 56 30.578 30.578 29.573 1.005 18415 4169 1 6 . 1 1 56 56 ARG H H 56 8.758 8.758 8.780 -0.022 18415 4170 1 6 . 1 1 57 57 ARG N N 57 120.411 120.411 116.790 3.621 18415 4171 1 6 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.405 -0.111 18415 4172 1 6 . 1 1 57 57 ARG C C 57 177.064 177.064 175.584 1.480 18415 4173 1 6 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.338 1.194 18415 4174 1 6 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.820 -1.128 18415 4175 1 6 . 1 1 57 57 ARG H H 57 9.150 9.150 8.450 0.700 18415 4176 1 6 . 1 1 58 58 LEU N N 58 119.445 119.445 122.369 -2.924 18415 4177 1 6 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.551 0.153 18415 4178 1 6 . 1 1 58 58 LEU C C 58 176.450 176.450 176.130 0.320 18415 4179 1 6 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.742 0.537 18415 4180 1 6 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.762 0.496 18415 4181 1 6 . 1 1 58 58 LEU H H 58 8.328 8.328 7.577 0.751 18415 4182 1 6 . 1 1 59 59 SER N N 59 116.536 116.536 114.667 1.869 18415 4183 1 6 . 1 1 59 59 SER HA H 59 5.505 5.505 5.286 0.219 18415 4184 1 6 . 1 1 59 59 SER C C 59 173.263 173.263 174.354 -1.091 18415 4185 1 6 . 1 1 59 59 SER CA C 59 57.199 57.199 56.933 0.266 18415 4186 1 6 . 1 1 59 59 SER CB C 59 65.064 65.064 64.305 0.759 18415 4187 1 6 . 1 1 59 59 SER H H 59 8.470 8.470 8.284 0.186 18415 4188 1 6 . 1 1 60 60 TYR N N 60 120.274 120.274 125.555 -5.281 18415 4189 1 6 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.896 -0.619 18415 4190 1 6 . 1 1 60 60 TYR C C 60 175.560 175.560 175.712 -0.152 18415 4191 1 6 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.873 -0.401 18415 4192 1 6 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.471 2.036 18415 4193 1 6 . 1 1 60 60 TYR H H 60 8.897 8.897 9.395 -0.498 18415 4194 1 6 . 1 1 61 61 PHE N N 61 123.635 123.635 122.133 1.502 18415 4195 1 6 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.625 0.663 18415 4196 1 6 . 1 1 61 61 PHE C C 61 175.433 175.433 175.738 -0.305 18415 4197 1 6 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.852 0.223 18415 4198 1 6 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.339 1.530 18415 4199 1 6 . 1 1 61 61 PHE H H 61 9.521 9.521 9.091 0.430 18415 4200 1 6 . 1 1 62 62 LEU N N 62 114.382 114.382 121.879 -7.497 18415 4201 1 6 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.959 0.114 18415 4202 1 6 . 1 1 62 62 LEU C C 62 179.521 179.521 177.671 1.850 18415 4203 1 6 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.698 -1.915 18415 4204 1 6 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.411 1.865 18415 4205 1 6 . 1 1 62 62 LEU H H 62 8.394 8.394 8.709 -0.315 18415 4206 1 6 . 1 1 63 63 GLY N N 63 106.675 106.675 109.887 -3.212 18415 4207 1 6 . 1 1 63 63 GLY C C 63 172.404 172.404 173.389 -0.985 18415 4208 1 6 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.553 2.840 18415 4209 1 6 . 1 1 63 63 GLY H H 63 9.253 9.253 9.421 -0.168 18415 4210 1 6 . 1 1 64 64 LEU N N 64 124.754 124.754 117.165 7.589 18415 4211 1 6 . 1 1 64 64 LEU HA H 64 4.584 4.584 5.119 -0.535 18415 4212 1 6 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.415 0.887 18415 4213 1 6 . 1 1 64 64 LEU CB C 64 43.272 43.272 45.278 -2.006 18415 4214 1 6 . 1 1 64 64 LEU H H 64 6.840 6.840 8.133 -1.293 18415 4215 1 6 . 1 1 65 65 ARG N N 65 124.476 124.476 117.849 6.627 18415 4216 1 6 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.603 0.557 18415 4217 1 6 . 1 1 65 65 ARG C C 65 174.245 174.245 173.730 0.515 18415 4218 1 6 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.575 0.329 18415 4219 1 6 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.600 0.931 18415 4220 1 6 . 1 1 65 65 ARG H H 65 8.218 8.218 8.274 -0.056 18415 4221 1 6 . 1 1 66 66 ASP N N 66 126.754 126.754 122.338 4.416 18415 4222 1 6 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.606 -0.177 18415 4223 1 6 . 1 1 66 66 ASP C C 66 176.516 176.516 175.271 1.245 18415 4224 1 6 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.293 -0.439 18415 4225 1 6 . 1 1 66 66 ASP CB C 66 39.768 39.768 41.856 -2.088 18415 4226 1 6 . 1 1 66 66 ASP H H 66 8.756 8.756 8.539 0.217 18415 4227 1 6 . 1 1 67 67 GLU N N 67 123.390 123.390 127.605 -4.215 18415 4228 1 6 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.191 -0.415 18415 4229 1 6 . 1 1 67 67 GLU C C 67 175.648 175.648 176.588 -0.940 18415 4230 1 6 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.907 1.941 18415 4231 1 6 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.197 1.119 18415 4232 1 6 . 1 1 67 67 GLU H H 67 8.488 8.488 8.540 -0.052 18415 4233 1 6 . 1 1 68 68 ASN N N 68 114.882 114.882 123.936 -9.054 18415 4234 1 6 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.185 0.479 18415 4235 1 6 . 1 1 68 68 ASN C C 68 174.482 174.482 173.767 0.715 18415 4236 1 6 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.229 -1.315 18415 4237 1 6 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.112 2.300 18415 4238 1 6 . 1 1 68 68 ASN H H 68 8.336 8.336 9.204 -0.868 18415 4239 1 6 . 1 1 69 69 ALA N N 69 118.915 118.915 116.085 2.830 18415 4240 1 6 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.093 -0.219 18415 4241 1 6 . 1 1 69 69 ALA C C 69 177.082 177.082 176.987 0.095 18415 4242 1 6 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.119 0.513 18415 4243 1 6 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.662 -0.491 18415 4244 1 6 . 1 1 69 69 ALA H H 69 7.444 7.444 7.627 -0.183 18415 4245 1 6 . 1 1 70 70 LYS N N 70 117.439 117.439 123.810 -6.371 18415 4246 1 6 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.415 -0.097 18415 4247 1 6 . 1 1 70 70 LYS C C 70 177.726 177.726 177.341 0.385 18415 4248 1 6 . 1 1 70 70 LYS CA C 70 55.423 55.423 55.870 -0.447 18415 4249 1 6 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.636 -0.900 18415 4250 1 6 . 1 1 70 70 LYS H H 70 7.925 7.925 9.068 -1.143 18415 4251 1 6 . 1 1 71 71 GLY C C 71 175.127 175.127 174.048 1.079 18415 4252 1 6 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.437 0.237 18415 4253 1 6 . 1 1 72 72 GLN N N 72 124.084 124.084 117.808 6.276 18415 4254 1 6 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.516 -0.125 18415 4255 1 6 . 1 1 72 72 GLN C C 72 174.283 174.283 175.316 -1.033 18415 4256 1 6 . 1 1 72 72 GLN CA C 72 53.157 53.157 52.989 0.168 18415 4257 1 6 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.362 -0.729 18415 4258 1 6 . 1 1 72 72 GLN H H 72 7.749 7.749 8.382 -0.633 18415 4259 1 6 . 1 1 73 73 TRP N N 73 121.803 121.803 126.614 -4.811 18415 4260 1 6 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.384 -0.479 18415 4261 1 6 . 1 1 73 73 TRP C C 73 175.776 175.776 175.634 0.142 18415 4262 1 6 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.605 -1.784 18415 4263 1 6 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.370 -0.494 18415 4264 1 6 . 1 1 73 73 TRP H H 73 6.599 6.599 8.594 -1.995 18415 4265 1 6 . 1 1 74 74 ARG N N 74 119.549 119.549 120.960 -1.411 18415 4266 1 6 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.747 -0.041 18415 4267 1 6 . 1 1 74 74 ARG C C 74 176.980 176.980 174.812 2.168 18415 4268 1 6 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.105 -0.772 18415 4269 1 6 . 1 1 74 74 ARG CB C 74 34.623 34.623 35.040 -0.417 18415 4270 1 6 . 1 1 74 74 ARG H H 74 8.443 8.443 7.927 0.516 18415 4271 1 6 . 1 1 75 75 TRP N N 75 125.690 125.690 120.745 4.945 18415 4272 1 6 . 1 1 75 75 TRP HA H 75 5.427 5.427 4.802 0.625 18415 4273 1 6 . 1 1 75 75 TRP C C 75 180.474 180.474 177.595 2.879 18415 4274 1 6 . 1 1 75 75 TRP CA C 75 55.766 55.766 58.533 -2.767 18415 4275 1 6 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.040 0.990 18415 4276 1 6 . 1 1 75 75 TRP H H 75 9.052 9.052 9.267 -0.215 18415 4277 1 6 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.040 0.238 18415 4278 1 6 . 1 1 76 76 VAL C C 76 175.431 175.431 176.309 -0.878 18415 4279 1 6 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.652 -0.088 18415 4280 1 6 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.555 -0.186 18415 4281 1 6 . 1 1 77 77 ASP N N 77 119.941 119.941 119.474 0.467 18415 4282 1 6 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.817 -0.839 18415 4283 1 6 . 1 1 77 77 ASP C C 77 176.293 176.293 175.825 0.468 18415 4284 1 6 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.389 -0.630 18415 4285 1 6 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.170 0.240 18415 4286 1 6 . 1 1 77 77 ASP H H 77 8.004 8.004 8.481 -0.477 18415 4287 1 6 . 1 1 78 78 GLN N N 78 109.962 109.962 120.954 -10.992 18415 4288 1 6 . 1 1 78 78 GLN HA H 78 4.125 4.125 3.946 0.179 18415 4289 1 6 . 1 1 78 78 GLN C C 78 176.387 176.387 175.210 1.177 18415 4290 1 6 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.420 -0.628 18415 4291 1 6 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.936 -1.835 18415 4292 1 6 . 1 1 78 78 GLN H H 78 8.124 8.124 8.609 -0.485 18415 4293 1 6 . 1 1 79 79 THR N N 79 121.656 121.656 119.900 1.756 18415 4294 1 6 . 1 1 79 79 THR HA H 79 4.250 4.250 4.324 -0.074 18415 4295 1 6 . 1 1 79 79 THR C C 79 172.901 172.901 172.833 0.068 18415 4296 1 6 . 1 1 79 79 THR CA C 79 63.165 63.165 63.184 -0.019 18415 4297 1 6 . 1 1 79 79 THR CB C 79 69.427 69.427 68.740 0.687 18415 4298 1 6 . 1 1 79 79 THR H H 79 8.172 8.172 8.111 0.061 18415 4299 1 6 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.642 -0.120 18415 4300 1 6 . 1 1 80 80 PRO C C 80 176.940 176.940 176.774 0.166 18415 4301 1 6 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.795 0.893 18415 4302 1 6 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.452 -0.265 18415 4303 1 6 . 1 1 81 81 PHE N N 81 125.403 125.403 123.062 2.341 18415 4304 1 6 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.500 0.409 18415 4305 1 6 . 1 1 81 81 PHE C C 81 174.853 174.853 174.875 -0.022 18415 4306 1 6 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.561 -1.208 18415 4307 1 6 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.317 -0.298 18415 4308 1 6 . 1 1 81 81 PHE H H 81 9.015 9.015 8.087 0.928 18415 4309 1 6 . 1 1 82 82 ASN N N 82 129.264 129.264 124.425 4.839 18415 4310 1 6 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.951 0.104 18415 4311 1 6 . 1 1 82 82 ASN C C 82 173.643 173.643 172.866 0.777 18415 4312 1 6 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.083 -2.280 18415 4313 1 6 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.425 0.070 18415 4314 1 6 . 1 1 82 82 ASN H H 82 8.985 8.985 8.008 0.977 18415 4315 1 6 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.405 -0.402 18415 4316 1 6 . 1 1 83 83 PRO C C 83 177.123 177.123 177.610 -0.487 18415 4317 1 6 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.212 -0.427 18415 4318 1 6 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.182 0.332 18415 4319 1 6 . 1 1 84 84 ARG N N 84 114.801 114.801 119.137 -4.336 18415 4320 1 6 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.266 0.057 18415 4321 1 6 . 1 1 84 84 ARG C C 84 176.890 176.890 175.965 0.925 18415 4322 1 6 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.440 -0.437 18415 4323 1 6 . 1 1 84 84 ARG CB C 84 30.158 30.158 29.910 0.248 18415 4324 1 6 . 1 1 84 84 ARG H H 84 7.697 7.697 8.297 -0.600 18415 4325 1 6 . 1 1 85 85 ARG N N 85 123.958 123.958 118.613 5.345 18415 4326 1 6 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.008 0.297 18415 4327 1 6 . 1 1 85 85 ARG C C 85 173.017 173.017 173.366 -0.349 18415 4328 1 6 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.567 -0.758 18415 4329 1 6 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.735 -0.695 18415 4330 1 6 . 1 1 85 85 ARG H H 85 7.596 7.596 7.539 0.057 18415 4331 1 6 . 1 1 86 86 VAL N N 86 110.039 110.039 120.327 -10.288 18415 4332 1 6 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.015 0.784 18415 4333 1 6 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.362 -2.096 18415 4334 1 6 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.775 1.451 18415 4335 1 6 . 1 1 86 86 VAL H H 86 6.570 6.570 7.243 -0.673 18415 4336 1 6 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.440 -0.118 18415 4337 1 6 . 1 1 87 87 PHE C C 87 173.471 173.471 174.215 -0.744 18415 4338 1 6 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.174 0.203 18415 4339 1 6 . 1 1 87 87 PHE CB C 87 37.384 37.384 37.385 -0.001 18415 4340 1 6 . 1 1 88 88 TRP N N 88 118.538 118.538 122.484 -3.946 18415 4341 1 6 . 1 1 88 88 TRP HA H 88 4.802 4.802 5.035 -0.233 18415 4342 1 6 . 1 1 88 88 TRP C C 88 179.297 179.297 177.413 1.884 18415 4343 1 6 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.000 0.237 18415 4344 1 6 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.784 0.766 18415 4345 1 6 . 1 1 88 88 TRP H H 88 6.633 6.633 7.809 -1.176 18415 4346 1 6 . 1 1 89 89 HIS N N 89 122.693 122.693 117.402 5.291 18415 4347 1 6 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.558 -0.187 18415 4348 1 6 . 1 1 89 89 HIS C C 89 175.621 175.621 175.956 -0.335 18415 4349 1 6 . 1 1 89 89 HIS CA C 89 58.121 58.121 58.964 -0.843 18415 4350 1 6 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.365 1.347 18415 4351 1 6 . 1 1 89 89 HIS H H 89 9.473 9.473 9.324 0.149 18415 4352 1 6 . 1 1 90 90 LYS N N 90 120.826 120.826 117.537 3.289 18415 4353 1 6 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.290 -0.179 18415 4354 1 6 . 1 1 90 90 LYS C C 90 177.228 177.228 175.053 2.175 18415 4355 1 6 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.646 0.596 18415 4356 1 6 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.124 -0.642 18415 4357 1 6 . 1 1 90 90 LYS H H 90 8.741 8.741 9.366 -0.625 18415 4358 1 6 . 1 1 91 91 ASN N N 91 117.166 117.166 118.453 -1.287 18415 4359 1 6 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.786 -0.470 18415 4360 1 6 . 1 1 91 91 ASN C C 91 173.391 173.391 173.955 -0.564 18415 4361 1 6 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.100 2.235 18415 4362 1 6 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.306 -1.921 18415 4363 1 6 . 1 1 91 91 ASN H H 91 8.906 8.906 8.390 0.516 18415 4364 1 6 . 1 1 92 92 GLU N N 92 116.991 116.991 120.443 -3.452 18415 4365 1 6 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.430 -0.143 18415 4366 1 6 . 1 1 92 92 GLU C C 92 173.188 173.188 176.337 -3.149 18415 4367 1 6 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.715 -1.444 18415 4368 1 6 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.167 1.287 18415 4369 1 6 . 1 1 92 92 GLU H H 92 7.738 7.738 8.231 -0.493 18415 4370 1 6 . 1 1 95 95 ASN HA H 95 4.644 4.644 5.074 -0.430 18415 4371 1 6 . 1 1 95 95 ASN C C 95 175.699 175.699 175.208 0.491 18415 4372 1 6 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.032 0.427 18415 4373 1 6 . 1 1 95 95 ASN CB C 95 38.725 38.725 38.612 0.113 18415 4374 1 6 . 1 1 96 96 SER N N 96 116.489 116.489 120.485 -3.996 18415 4375 1 6 . 1 1 96 96 SER HA H 96 4.405 4.405 4.255 0.150 18415 4376 1 6 . 1 1 96 96 SER C C 96 174.831 174.831 174.820 0.011 18415 4377 1 6 . 1 1 96 96 SER CA C 96 58.753 58.753 59.873 -1.120 18415 4378 1 6 . 1 1 96 96 SER CB C 96 64.216 64.216 63.379 0.838 18415 4379 1 6 . 1 1 96 96 SER H H 96 8.118 8.118 9.416 -1.298 18415 4380 1 6 . 1 1 97 97 GLN N N 97 121.023 121.023 123.625 -2.602 18415 4381 1 6 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.252 -0.000 18415 4382 1 6 . 1 1 97 97 GLN C C 97 176.063 176.063 175.146 0.917 18415 4383 1 6 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.560 0.397 18415 4384 1 6 . 1 1 97 97 GLN CB C 97 29.528 29.528 28.288 1.240 18415 4385 1 6 . 1 1 97 97 GLN H H 97 8.371 8.371 8.051 0.320 18415 4386 1 6 . 1 1 98 98 GLY N N 98 110.498 110.498 108.760 1.738 18415 4387 1 6 . 1 1 98 98 GLY C C 98 172.460 172.460 172.900 -0.440 18415 4388 1 6 . 1 1 98 98 GLY CA C 98 44.936 44.936 44.906 0.030 18415 4389 1 6 . 1 1 98 98 GLY H H 98 8.080 8.080 7.213 0.867 18415 4390 1 6 . 1 1 99 99 GLU N N 99 119.919 119.919 121.206 -1.287 18415 4391 1 6 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.770 0.501 18415 4392 1 6 . 1 1 99 99 GLU C C 99 176.605 176.605 174.873 1.732 18415 4393 1 6 . 1 1 99 99 GLU CA C 99 56.508 56.508 57.339 -0.831 18415 4394 1 6 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.816 1.653 18415 4395 1 6 . 1 1 99 99 GLU H H 99 8.004 8.004 8.533 -0.529 18415 4396 1 6 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.990 0.290 18415 4397 1 6 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.931 0.450 18415 4398 1 6 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.640 1.277 18415 4399 1 6 . 1 1 101 101 CYS N N 101 121.118 121.118 120.821 0.297 18415 4400 1 6 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.838 0.652 18415 4401 1 6 . 1 1 101 101 CYS CA C 101 59.338 59.338 56.416 2.922 18415 4402 1 6 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.786 12.992 18415 4403 1 6 . 1 1 101 101 CYS H H 101 9.707 9.707 8.701 1.006 18415 4404 1 6 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.651 -0.465 18415 4405 1 6 . 1 1 102 102 VAL C C 102 175.530 175.530 174.520 1.010 18415 4406 1 6 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.606 3.427 18415 4407 1 6 . 1 1 102 102 VAL CB C 102 35.154 35.154 35.154 -0.000 18415 4408 1 6 . 1 1 103 103 VAL N N 103 115.890 115.890 116.253 -0.363 18415 4409 1 6 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.131 0.217 18415 4410 1 6 . 1 1 103 103 VAL C C 103 175.136 175.136 175.075 0.061 18415 4411 1 6 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.760 -1.023 18415 4412 1 6 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.017 0.117 18415 4413 1 6 . 1 1 103 103 VAL H H 103 8.698 8.698 8.648 0.050 18415 4414 1 6 . 1 1 104 104 LEU N N 104 124.477 124.477 124.126 0.351 18415 4415 1 6 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.146 -0.170 18415 4416 1 6 . 1 1 104 104 LEU C C 104 176.248 176.248 176.299 -0.051 18415 4417 1 6 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.855 0.138 18415 4418 1 6 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.984 2.858 18415 4419 1 6 . 1 1 104 104 LEU H H 104 9.453 9.453 9.117 0.337 18415 4420 1 6 . 1 1 105 105 VAL N N 105 123.109 123.109 124.351 -1.242 18415 4421 1 6 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.833 0.182 18415 4422 1 6 . 1 1 105 105 VAL C C 105 173.635 173.635 173.820 -0.185 18415 4423 1 6 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.162 2.071 18415 4424 1 6 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.243 0.390 18415 4425 1 6 . 1 1 105 105 VAL H H 105 9.477 9.477 8.994 0.483 18415 4426 1 6 . 1 1 106 106 TYR N N 106 136.491 136.491 128.738 7.753 18415 4427 1 6 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.328 0.137 18415 4428 1 6 . 1 1 106 106 TYR C C 106 175.009 175.009 174.312 0.697 18415 4429 1 6 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.071 -1.022 18415 4430 1 6 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.637 0.314 18415 4431 1 6 . 1 1 106 106 TYR H H 106 9.509 9.509 8.550 0.959 18415 4432 1 6 . 1 1 107 107 ASN N N 107 124.433 124.433 125.721 -1.288 18415 4433 1 6 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.691 -0.141 18415 4434 1 6 . 1 1 107 107 ASN C C 107 173.919 173.919 174.147 -0.228 18415 4435 1 6 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.243 -0.634 18415 4436 1 6 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.038 -0.028 18415 4437 1 6 . 1 1 107 107 ASN H H 107 8.329 8.329 8.746 -0.417 18415 4438 1 6 . 1 1 108 108 GLN N N 108 119.681 119.681 123.760 -4.079 18415 4439 1 6 . 1 1 108 108 GLN HA H 108 3.654 3.654 4.020 -0.366 18415 4440 1 6 . 1 1 108 108 GLN C C 108 175.060 175.060 174.464 0.596 18415 4441 1 6 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.962 0.644 18415 4442 1 6 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.969 -0.705 18415 4443 1 6 . 1 1 108 108 GLN H H 108 8.558 8.558 8.730 -0.172 18415 4444 1 6 . 1 1 109 109 ASP N N 109 109.712 109.712 114.280 -4.568 18415 4445 1 6 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.973 0.004 18415 4446 1 6 . 1 1 109 109 ASP C C 109 174.354 174.354 174.119 0.235 18415 4447 1 6 . 1 1 109 109 ASP CA C 109 55.199 55.199 54.687 0.512 18415 4448 1 6 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.358 -0.333 18415 4449 1 6 . 1 1 109 109 ASP H H 109 8.199 8.199 8.453 -0.254 18415 4450 1 6 . 1 1 110 110 LYS N N 110 115.590 115.590 113.713 1.877 18415 4451 1 6 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.398 0.154 18415 4452 1 6 . 1 1 110 110 LYS C C 110 174.674 174.674 174.689 -0.015 18415 4453 1 6 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.290 1.179 18415 4454 1 6 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.307 0.282 18415 4455 1 6 . 1 1 110 110 LYS H H 110 7.081 7.081 6.623 0.458 18415 4456 1 6 . 1 1 111 111 TRP N N 111 122.248 122.248 122.325 -0.077 18415 4457 1 6 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.036 0.037 18415 4458 1 6 . 1 1 111 111 TRP C C 111 175.920 175.920 176.630 -0.710 18415 4459 1 6 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.875 -0.686 18415 4460 1 6 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.253 0.616 18415 4461 1 6 . 1 1 111 111 TRP H H 111 8.650 8.650 8.581 0.069 18415 4462 1 6 . 1 1 112 112 ALA N N 112 124.184 124.184 123.618 0.566 18415 4463 1 6 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.547 -0.379 18415 4464 1 6 . 1 1 112 112 ALA C C 112 174.995 174.995 175.204 -0.209 18415 4465 1 6 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.577 0.738 18415 4466 1 6 . 1 1 112 112 ALA CB C 112 16.882 16.882 20.897 -4.015 18415 4467 1 6 . 1 1 112 112 ALA H H 112 8.790 8.790 8.846 -0.056 18415 4468 1 6 . 1 1 113 113 TRP N N 113 118.725 118.725 119.472 -0.747 18415 4469 1 6 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.575 0.581 18415 4470 1 6 . 1 1 113 113 TRP C C 113 177.471 177.471 176.859 0.612 18415 4471 1 6 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.474 0.141 18415 4472 1 6 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.676 2.698 18415 4473 1 6 . 1 1 113 113 TRP H H 113 8.969 8.969 8.873 0.096 18415 4474 1 6 . 1 1 114 114 ASN N N 114 120.479 120.479 119.660 0.819 18415 4475 1 6 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.742 -0.252 18415 4476 1 6 . 1 1 114 114 ASN C C 114 174.708 174.708 174.213 0.495 18415 4477 1 6 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.938 -0.180 18415 4478 1 6 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.722 -0.704 18415 4479 1 6 . 1 1 114 114 ASN H H 114 9.518 9.518 9.003 0.515 18415 4480 1 6 . 1 1 115 115 ASP N N 115 118.209 118.209 126.081 -7.872 18415 4481 1 6 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.092 0.779 18415 4482 1 6 . 1 1 115 115 ASP C C 115 174.291 174.291 175.739 -1.448 18415 4483 1 6 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.984 -2.797 18415 4484 1 6 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.323 -0.819 18415 4485 1 6 . 1 1 115 115 ASP H H 115 8.563 8.563 8.934 -0.371 18415 4486 1 6 . 1 1 116 116 VAL N N 116 118.669 118.669 119.039 -0.370 18415 4487 1 6 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.805 0.090 18415 4488 1 6 . 1 1 116 116 VAL C C 116 172.334 172.334 172.979 -0.645 18415 4489 1 6 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.327 -0.046 18415 4490 1 6 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.435 -0.102 18415 4491 1 6 . 1 1 116 116 VAL H H 116 9.369 9.369 9.085 0.284 18415 4492 1 6 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.961 -0.027 18415 4493 1 6 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.346 0.730 18415 4494 1 6 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.879 0.480 18415 4495 1 6 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.479 -0.029 18415 4496 1 6 . 1 1 118 118 CYS C C 118 175.583 175.583 175.866 -0.283 18415 4497 1 6 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.439 -1.535 18415 4498 1 6 . 1 1 118 118 CYS CB C 118 43.841 43.841 27.360 16.481 18415 4499 1 6 . 1 1 119 119 ASN N N 119 117.251 117.251 117.917 -0.666 18415 4500 1 6 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.896 0.017 18415 4501 1 6 . 1 1 119 119 ASN C C 119 174.849 174.849 173.834 1.015 18415 4502 1 6 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.514 -0.372 18415 4503 1 6 . 1 1 119 119 ASN CB C 119 37.076 37.076 37.612 -0.536 18415 4504 1 6 . 1 1 119 119 ASN H H 119 8.411 8.411 8.575 -0.164 18415 4505 1 6 . 1 1 120 120 PHE N N 120 123.415 123.415 121.567 1.848 18415 4506 1 6 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.846 -0.300 18415 4507 1 6 . 1 1 120 120 PHE C C 120 173.156 173.156 173.947 -0.791 18415 4508 1 6 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.561 1.799 18415 4509 1 6 . 1 1 120 120 PHE CB C 120 40.449 40.449 42.984 -2.535 18415 4510 1 6 . 1 1 120 120 PHE H H 120 8.097 8.097 7.976 0.120 18415 4511 1 6 . 1 1 121 121 GLU N N 121 119.143 119.143 126.322 -7.179 18415 4512 1 6 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.317 0.236 18415 4513 1 6 . 1 1 121 121 GLU C C 121 174.732 174.732 175.058 -0.326 18415 4514 1 6 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.812 -2.224 18415 4515 1 6 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.428 0.992 18415 4516 1 6 . 1 1 121 121 GLU H H 121 7.012 7.012 8.300 -1.288 18415 4517 1 6 . 1 1 122 122 ALA N N 122 125.793 125.793 127.436 -1.643 18415 4518 1 6 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.612 -0.141 18415 4519 1 6 . 1 1 122 122 ALA C C 122 177.616 177.616 175.463 2.153 18415 4520 1 6 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.582 0.661 18415 4521 1 6 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.266 -1.664 18415 4522 1 6 . 1 1 122 122 ALA H H 122 8.441 8.441 8.790 -0.349 18415 4523 1 6 . 1 1 123 123 SER N N 123 115.420 115.420 114.546 0.874 18415 4524 1 6 . 1 1 123 123 SER HA H 123 4.522 4.522 5.631 -1.109 18415 4525 1 6 . 1 1 123 123 SER C C 123 172.514 172.514 174.857 -2.343 18415 4526 1 6 . 1 1 123 123 SER CA C 123 60.661 60.661 56.507 4.154 18415 4527 1 6 . 1 1 123 123 SER CB C 123 62.943 62.943 64.446 -1.503 18415 4528 1 6 . 1 1 123 123 SER H H 123 7.716 7.716 8.134 -0.418 18415 4529 1 6 . 1 1 124 124 ARG N N 124 112.529 112.529 115.655 -3.126 18415 4530 1 6 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.156 0.334 18415 4531 1 6 . 1 1 124 124 ARG C C 124 173.779 173.779 174.428 -0.649 18415 4532 1 6 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.304 0.635 18415 4533 1 6 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.055 -2.130 18415 4534 1 6 . 1 1 124 124 ARG H H 124 8.840 8.840 9.066 -0.226 18415 4535 1 6 . 1 1 125 125 ILE N N 125 116.525 116.525 119.924 -3.399 18415 4536 1 6 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.773 -0.055 18415 4537 1 6 . 1 1 125 125 ILE C C 125 175.656 175.656 174.420 1.236 18415 4538 1 6 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.510 1.326 18415 4539 1 6 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.292 0.266 18415 4540 1 6 . 1 1 125 125 ILE H H 125 6.989 6.989 8.226 -1.237 18415 4541 1 6 . 1 1 126 126 CYS N N 126 123.910 123.910 127.255 -3.345 18415 4542 1 6 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.154 0.416 18415 4543 1 6 . 1 1 126 126 CYS C C 126 173.662 173.662 173.462 0.200 18415 4544 1 6 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.428 -5.588 18415 4545 1 6 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.631 10.510 18415 4546 1 6 . 1 1 126 126 CYS H H 126 8.288 8.288 9.148 -0.860 18415 4547 1 6 . 1 1 127 127 LYS N N 127 124.170 124.170 129.814 -5.644 18415 4548 1 6 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.073 0.546 18415 4549 1 6 . 1 1 127 127 LYS C C 127 174.637 174.637 175.296 -0.659 18415 4550 1 6 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.434 0.801 18415 4551 1 6 . 1 1 127 127 LYS CB C 127 38.518 38.518 33.621 4.897 18415 4552 1 6 . 1 1 127 127 LYS H H 127 9.681 9.681 9.423 0.258 18415 4553 1 6 . 1 1 128 128 ILE N N 128 129.226 129.226 128.179 1.047 18415 4554 1 6 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.503 0.397 18415 4555 1 6 . 1 1 128 128 ILE C C 128 172.463 172.463 173.579 -1.116 18415 4556 1 6 . 1 1 128 128 ILE CA C 128 58.384 58.384 58.535 -0.151 18415 4557 1 6 . 1 1 128 128 ILE CB C 128 43.888 43.888 39.549 4.339 18415 4558 1 6 . 1 1 128 128 ILE H H 128 9.205 9.205 9.184 0.021 18415 4559 1 6 . 1 1 129 129 PRO HA H 129 4.991 4.991 5.072 -0.081 18415 4560 1 6 . 1 1 129 129 PRO C C 129 177.954 177.954 178.574 -0.620 18415 4561 1 6 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.265 0.359 18415 4562 1 6 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.179 0.322 18415 4563 1 6 . 1 1 130 130 GLY N N 130 110.745 110.745 107.569 3.176 18415 4564 1 6 . 1 1 130 130 GLY C C 130 175.022 175.022 174.786 0.236 18415 4565 1 6 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.581 0.675 18415 4566 1 6 . 1 1 130 130 GLY H H 130 8.673 8.673 8.641 0.032 18415 4567 1 6 . 1 1 131 131 THR N N 131 112.246 112.246 115.351 -3.105 18415 4568 1 6 . 1 1 131 131 THR HA H 131 4.427 4.427 4.181 0.246 18415 4569 1 6 . 1 1 131 131 THR C C 131 175.259 175.259 175.998 -0.739 18415 4570 1 6 . 1 1 131 131 THR CA C 131 61.500 61.500 63.965 -2.465 18415 4571 1 6 . 1 1 131 131 THR CB C 131 69.998 69.998 68.883 1.115 18415 4572 1 6 . 1 1 131 131 THR H H 131 7.870 7.870 8.031 -0.161 18415 4573 1 6 . 1 1 132 132 THR N N 132 116.455 116.455 118.414 -1.959 18415 4574 1 6 . 1 1 132 132 THR HA H 132 4.281 4.281 3.975 0.306 18415 4575 1 6 . 1 1 132 132 THR C C 132 174.867 174.867 175.218 -0.351 18415 4576 1 6 . 1 1 132 132 THR CA C 132 62.453 62.453 66.649 -4.196 18415 4577 1 6 . 1 1 132 132 THR CB C 132 69.868 69.868 68.571 1.297 18415 4578 1 6 . 1 1 132 132 THR H H 132 8.120 8.120 7.542 0.578 18415 4579 1 6 . 1 1 133 133 LEU N N 133 124.001 124.001 118.631 5.370 18415 4580 1 6 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.093 0.169 18415 4581 1 6 . 1 1 133 133 LEU C C 133 177.365 177.365 178.364 -0.999 18415 4582 1 6 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.545 -0.798 18415 4583 1 6 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.552 0.770 18415 4584 1 6 . 1 1 133 133 LEU H H 133 8.117 8.117 7.189 0.928 18415 4585 1 6 . 1 1 134 134 ASN N N 134 119.222 119.222 117.194 2.028 18415 4586 1 6 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.595 0.026 18415 4587 1 6 . 1 1 134 134 ASN C C 134 175.725 175.725 176.446 -0.721 18415 4588 1 6 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.249 -1.624 18415 4589 1 6 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.159 -0.323 18415 4590 1 6 . 1 1 134 134 ASN H H 134 8.325 8.325 7.523 0.802 18415 4591 1 6 . 1 1 135 135 ALA N N 135 123.649 123.649 123.577 0.072 18415 4592 1 6 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.642 -0.513 18415 4593 1 6 . 1 1 135 135 ALA C C 135 179.061 179.061 176.960 2.101 18415 4594 1 6 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.065 2.867 18415 4595 1 6 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.231 1.708 18415 4596 1 6 . 1 1 135 135 ALA H H 135 8.205 8.205 7.980 0.225 18415 4597 1 6 . 1 1 136 136 GLU N N 136 119.187 119.187 120.482 -1.295 18415 4598 1 6 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.024 0.181 18415 4599 1 6 . 1 1 136 136 GLU C C 136 177.504 177.504 178.596 -1.092 18415 4600 1 6 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.374 -1.495 18415 4601 1 6 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.897 0.749 18415 4602 1 6 . 1 1 136 136 GLU H H 136 8.349 8.349 7.815 0.534 18415 4603 1 6 . 1 1 137 137 ASN N N 137 118.988 118.988 118.246 0.742 18415 4604 1 6 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.664 -0.027 18415 4605 1 6 . 1 1 137 137 ASN C C 137 176.785 176.785 177.461 -0.676 18415 4606 1 6 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.637 -1.163 18415 4607 1 6 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.432 0.277 18415 4608 1 6 . 1 1 137 137 ASN H H 137 8.259 8.259 8.282 -0.023 18415 4609 1 6 . 1 1 138 138 LEU N N 138 121.438 121.438 121.394 0.044 18415 4610 1 6 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.065 0.070 18415 4611 1 6 . 1 1 138 138 LEU C C 138 178.872 178.872 178.479 0.393 18415 4612 1 6 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.332 -1.405 18415 4613 1 6 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.324 0.677 18415 4614 1 6 . 1 1 138 138 LEU H H 138 8.084 8.084 7.722 0.362 18415 4615 1 6 . 1 1 139 139 TYR N N 139 120.558 120.558 118.997 1.561 18415 4616 1 6 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.294 -0.008 18415 4617 1 6 . 1 1 139 139 TYR C C 139 177.587 177.587 177.962 -0.375 18415 4618 1 6 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.004 -0.859 18415 4619 1 6 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.982 -0.616 18415 4620 1 6 . 1 1 139 139 TYR H H 139 8.130 8.130 8.362 -0.232 18415 4621 1 6 . 1 1 140 140 PHE N N 140 120.508 120.508 121.217 -0.709 18415 4622 1 6 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.166 0.189 18415 4623 1 6 . 1 1 140 140 PHE C C 140 177.425 177.425 176.456 0.969 18415 4624 1 6 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.824 -1.194 18415 4625 1 6 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.068 0.184 18415 4626 1 6 . 1 1 140 140 PHE H H 140 8.275 8.275 8.403 -0.128 18415 4627 1 6 . 1 1 141 141 GLN N N 141 119.274 119.274 117.299 1.975 18415 4628 1 6 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.082 0.031 18415 4629 1 6 . 1 1 141 141 GLN C C 141 176.976 176.976 175.859 1.117 18415 4630 1 6 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.453 0.910 18415 4631 1 6 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.120 -0.092 18415 4632 1 6 . 1 1 141 141 GLN H H 141 8.250 8.250 7.775 0.475 18415 4633 1 7 . 1 1 2 2 VAL HA H 2 3.787 3.787 3.913 -0.126 18415 4634 1 7 . 1 1 2 2 VAL C C 2 172.250 172.250 175.141 -2.891 18415 4635 1 7 . 1 1 2 2 VAL CA C 2 61.294 61.294 63.370 -2.076 18415 4636 1 7 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.291 2.417 18415 4637 1 7 . 1 1 3 3 CYS N N 3 121.988 121.988 124.715 -2.727 18415 4638 1 7 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.636 0.569 18415 4639 1 7 . 1 1 3 3 CYS C C 3 171.993 171.993 172.497 -0.504 18415 4640 1 7 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.285 -4.241 18415 4641 1 7 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.620 9.841 18415 4642 1 7 . 1 1 3 3 CYS H H 3 8.628 8.628 8.427 0.201 18415 4643 1 7 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.908 -0.085 18415 4644 1 7 . 1 1 5 5 ILE C C 5 176.622 176.622 176.846 -0.224 18415 4645 1 7 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.158 0.142 18415 4646 1 7 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.694 0.350 18415 4647 1 7 . 1 1 6 6 ASP N N 6 117.894 117.894 124.099 -6.205 18415 4648 1 7 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.437 -0.093 18415 4649 1 7 . 1 1 6 6 ASP H H 6 8.606 8.606 8.564 0.042 18415 4650 1 7 . 1 1 7 7 TRP N N 7 120.564 120.564 120.380 0.184 18415 4651 1 7 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.729 -0.039 18415 4652 1 7 . 1 1 7 7 TRP C C 7 176.415 176.415 176.887 -0.472 18415 4653 1 7 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.664 -0.626 18415 4654 1 7 . 1 1 7 7 TRP CB C 7 28.771 28.771 28.966 -0.195 18415 4655 1 7 . 1 1 7 7 TRP H H 7 8.208 8.208 7.717 0.491 18415 4656 1 7 . 1 1 8 8 ARG N N 8 119.872 119.872 126.157 -6.285 18415 4657 1 7 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.272 0.414 18415 4658 1 7 . 1 1 8 8 ARG C C 8 176.146 176.146 176.159 -0.013 18415 4659 1 7 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.658 -0.717 18415 4660 1 7 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.273 2.290 18415 4661 1 7 . 1 1 8 8 ARG H H 8 9.456 9.456 9.007 0.449 18415 4662 1 7 . 1 1 9 9 ALA N N 9 127.265 127.265 129.521 -2.256 18415 4663 1 7 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.764 0.627 18415 4664 1 7 . 1 1 9 9 ALA C C 9 176.927 176.927 176.513 0.414 18415 4665 1 7 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.906 0.104 18415 4666 1 7 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.424 3.239 18415 4667 1 7 . 1 1 9 9 ALA H H 9 8.819 8.819 8.358 0.461 18415 4668 1 7 . 1 1 10 10 PHE N N 10 120.450 120.450 127.523 -7.073 18415 4669 1 7 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.710 -0.516 18415 4670 1 7 . 1 1 10 10 PHE C C 10 174.606 174.606 174.948 -0.342 18415 4671 1 7 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.639 0.887 18415 4672 1 7 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.466 -0.605 18415 4673 1 7 . 1 1 10 10 PHE H H 10 8.202 8.202 9.123 -0.921 18415 4674 1 7 . 1 1 11 11 GLN N N 11 126.391 126.391 123.863 2.528 18415 4675 1 7 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.594 -0.133 18415 4676 1 7 . 1 1 11 11 GLN C C 11 175.859 175.859 175.947 -0.088 18415 4677 1 7 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.160 -0.908 18415 4678 1 7 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.008 -1.046 18415 4679 1 7 . 1 1 11 11 GLN H H 11 8.872 8.872 8.661 0.211 18415 4680 1 7 . 1 1 12 12 SER N N 12 113.087 113.087 112.745 0.342 18415 4681 1 7 . 1 1 12 12 SER HA H 12 4.252 4.252 4.622 -0.370 18415 4682 1 7 . 1 1 12 12 SER C C 12 173.339 173.339 173.887 -0.548 18415 4683 1 7 . 1 1 12 12 SER CA C 12 59.795 59.795 58.983 0.812 18415 4684 1 7 . 1 1 12 12 SER CB C 12 62.943 62.943 65.496 -2.553 18415 4685 1 7 . 1 1 12 12 SER H H 12 8.189 8.189 8.271 -0.082 18415 4686 1 7 . 1 1 13 13 ASN N N 13 118.336 118.336 118.814 -0.478 18415 4687 1 7 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.101 0.155 18415 4688 1 7 . 1 1 13 13 ASN C C 13 174.330 174.330 173.746 0.584 18415 4689 1 7 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.500 -0.158 18415 4690 1 7 . 1 1 13 13 ASN CB C 13 43.458 43.458 41.259 2.199 18415 4691 1 7 . 1 1 13 13 ASN H H 13 8.242 8.242 7.822 0.420 18415 4692 1 7 . 1 1 14 14 CYS N N 14 118.315 118.315 116.859 1.456 18415 4693 1 7 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.369 0.492 18415 4694 1 7 . 1 1 14 14 CYS C C 14 174.314 174.314 173.642 0.672 18415 4695 1 7 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.016 -4.331 18415 4696 1 7 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.558 14.461 18415 4697 1 7 . 1 1 14 14 CYS H H 14 8.592 8.592 8.614 -0.022 18415 4698 1 7 . 1 1 15 15 TYR N N 15 121.588 121.588 121.420 0.168 18415 4699 1 7 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.576 0.201 18415 4700 1 7 . 1 1 15 15 TYR C C 15 176.333 176.333 174.834 1.499 18415 4701 1 7 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.865 1.751 18415 4702 1 7 . 1 1 15 15 TYR CB C 15 44.583 44.583 40.964 3.619 18415 4703 1 7 . 1 1 15 15 TYR H H 15 9.947 9.947 9.471 0.476 18415 4704 1 7 . 1 1 16 16 PHE N N 16 121.989 121.989 124.076 -2.087 18415 4705 1 7 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.700 0.211 18415 4706 1 7 . 1 1 16 16 PHE C C 16 172.937 172.937 172.842 0.095 18415 4707 1 7 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.955 -0.557 18415 4708 1 7 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.821 -1.750 18415 4709 1 7 . 1 1 16 16 PHE H H 16 8.717 8.717 9.158 -0.441 18415 4710 1 7 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.740 0.376 18415 4711 1 7 . 1 1 17 17 PRO C C 17 175.445 175.445 175.221 0.224 18415 4712 1 7 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.805 -0.317 18415 4713 1 7 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.124 -0.133 18415 4714 1 7 . 1 1 18 18 LEU N N 18 126.062 126.062 125.283 0.779 18415 4715 1 7 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.639 0.042 18415 4716 1 7 . 1 1 18 18 LEU C C 18 177.391 177.391 177.753 -0.362 18415 4717 1 7 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.227 1.133 18415 4718 1 7 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.485 0.997 18415 4719 1 7 . 1 1 18 18 LEU H H 18 9.054 9.054 9.190 -0.136 18415 4720 1 7 . 1 1 19 19 THR N N 19 109.256 109.256 113.333 -4.077 18415 4721 1 7 . 1 1 19 19 THR HA H 19 4.612 4.612 4.226 0.386 18415 4722 1 7 . 1 1 19 19 THR C C 19 175.613 175.613 174.696 0.917 18415 4723 1 7 . 1 1 19 19 THR CA C 19 62.236 62.236 62.347 -0.111 18415 4724 1 7 . 1 1 19 19 THR CB C 19 69.530 69.530 69.059 0.471 18415 4725 1 7 . 1 1 19 19 THR H H 19 8.303 8.303 8.682 -0.379 18415 4726 1 7 . 1 1 20 20 ASP N N 20 121.645 121.645 122.198 -0.553 18415 4727 1 7 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.464 -0.007 18415 4728 1 7 . 1 1 20 20 ASP C C 20 174.684 174.684 175.226 -0.542 18415 4729 1 7 . 1 1 20 20 ASP CA C 20 53.118 53.118 54.211 -1.093 18415 4730 1 7 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.634 -1.565 18415 4731 1 7 . 1 1 20 20 ASP H H 20 8.834 8.834 8.005 0.829 18415 4732 1 7 . 1 1 21 21 ASN N N 21 118.648 118.648 122.183 -3.535 18415 4733 1 7 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.899 -0.253 18415 4734 1 7 . 1 1 21 21 ASN C C 21 176.542 176.542 174.487 2.055 18415 4735 1 7 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.498 -0.046 18415 4736 1 7 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.221 0.232 18415 4737 1 7 . 1 1 21 21 ASN H H 21 8.113 8.113 8.604 -0.491 18415 4738 1 7 . 1 1 22 22 LYS N N 22 122.470 122.470 126.112 -3.642 18415 4739 1 7 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.833 0.023 18415 4740 1 7 . 1 1 22 22 LYS C C 22 176.711 176.711 175.230 1.481 18415 4741 1 7 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.666 2.000 18415 4742 1 7 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.681 2.858 18415 4743 1 7 . 1 1 22 22 LYS H H 22 8.794 8.794 8.859 -0.065 18415 4744 1 7 . 1 1 23 23 THR N N 23 109.009 109.009 115.329 -6.320 18415 4745 1 7 . 1 1 23 23 THR HA H 23 5.647 5.647 5.125 0.522 18415 4746 1 7 . 1 1 23 23 THR C C 23 178.411 178.411 175.766 2.645 18415 4747 1 7 . 1 1 23 23 THR CA C 23 61.773 61.773 60.752 1.021 18415 4748 1 7 . 1 1 23 23 THR CB C 23 71.820 71.820 69.891 1.929 18415 4749 1 7 . 1 1 23 23 THR H H 23 8.250 8.250 8.175 0.075 18415 4750 1 7 . 1 1 24 24 TRP N N 24 126.345 126.345 123.951 2.394 18415 4751 1 7 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.575 -0.545 18415 4752 1 7 . 1 1 24 24 TRP C C 24 178.204 178.204 176.819 1.385 18415 4753 1 7 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.736 1.845 18415 4754 1 7 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.229 1.425 18415 4755 1 7 . 1 1 24 24 TRP H H 24 8.279 8.279 8.768 -0.489 18415 4756 1 7 . 1 1 25 25 ALA N N 25 119.965 119.965 120.260 -0.295 18415 4757 1 7 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.991 -0.043 18415 4758 1 7 . 1 1 25 25 ALA C C 25 182.089 182.089 179.828 2.261 18415 4759 1 7 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.048 0.842 18415 4760 1 7 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.168 0.087 18415 4761 1 7 . 1 1 25 25 ALA H H 25 9.634 9.634 8.083 1.551 18415 4762 1 7 . 1 1 26 26 GLU N N 26 116.492 116.492 118.368 -1.876 18415 4763 1 7 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.052 0.011 18415 4764 1 7 . 1 1 26 26 GLU C C 26 179.756 179.756 179.174 0.582 18415 4765 1 7 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.172 0.123 18415 4766 1 7 . 1 1 26 26 GLU CB C 26 30.483 30.483 28.867 1.616 18415 4767 1 7 . 1 1 26 26 GLU H H 26 7.392 7.392 7.985 -0.593 18415 4768 1 7 . 1 1 27 27 SER N N 27 121.197 121.197 116.313 4.884 18415 4769 1 7 . 1 1 27 27 SER HA H 27 3.855 3.855 4.083 -0.228 18415 4770 1 7 . 1 1 27 27 SER C C 27 174.299 174.299 176.233 -1.934 18415 4771 1 7 . 1 1 27 27 SER CA C 27 63.344 63.344 62.667 0.677 18415 4772 1 7 . 1 1 27 27 SER CB C 27 62.329 62.329 62.765 -0.436 18415 4773 1 7 . 1 1 27 27 SER H H 27 8.596 8.596 8.520 0.076 18415 4774 1 7 . 1 1 28 28 GLU N N 28 124.173 124.173 119.163 5.010 18415 4775 1 7 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.988 0.280 18415 4776 1 7 . 1 1 28 28 GLU C C 28 178.856 178.856 178.018 0.838 18415 4777 1 7 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.670 0.529 18415 4778 1 7 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.023 -2.123 18415 4779 1 7 . 1 1 28 28 GLU H H 28 8.133 8.133 7.413 0.720 18415 4780 1 7 . 1 1 29 29 ARG N N 29 120.498 120.498 117.894 2.604 18415 4781 1 7 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.121 -0.078 18415 4782 1 7 . 1 1 29 29 ARG C C 29 179.339 179.339 177.746 1.593 18415 4783 1 7 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.890 0.801 18415 4784 1 7 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.510 -0.275 18415 4785 1 7 . 1 1 29 29 ARG H H 29 7.962 7.962 7.574 0.388 18415 4786 1 7 . 1 1 30 30 ASN N N 30 119.000 119.000 116.513 2.487 18415 4787 1 7 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.723 -0.276 18415 4788 1 7 . 1 1 30 30 ASN C C 30 178.153 178.153 175.804 2.349 18415 4789 1 7 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.719 2.931 18415 4790 1 7 . 1 1 30 30 ASN CB C 30 40.436 40.436 40.180 0.256 18415 4791 1 7 . 1 1 30 30 ASN H H 30 7.960 7.960 7.834 0.126 18415 4792 1 7 . 1 1 31 31 CYS N N 31 116.301 116.301 117.196 -0.895 18415 4793 1 7 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.770 -0.289 18415 4794 1 7 . 1 1 31 31 CYS C C 31 178.072 178.072 175.987 2.085 18415 4795 1 7 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.081 -2.671 18415 4796 1 7 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.502 6.207 18415 4797 1 7 . 1 1 31 31 CYS H H 31 8.477 8.477 8.360 0.117 18415 4798 1 7 . 1 1 32 32 SER N N 32 119.834 119.834 114.691 5.143 18415 4799 1 7 . 1 1 32 32 SER HA H 32 4.700 4.700 4.458 0.242 18415 4800 1 7 . 1 1 32 32 SER C C 32 179.062 179.062 176.805 2.257 18415 4801 1 7 . 1 1 32 32 SER CA C 32 61.663 61.663 61.428 0.235 18415 4802 1 7 . 1 1 32 32 SER CB C 32 62.655 62.655 62.381 0.274 18415 4803 1 7 . 1 1 32 32 SER H H 32 9.206 9.206 9.051 0.155 18415 4804 1 7 . 1 1 33 33 GLY N N 33 111.632 111.632 109.752 1.880 18415 4805 1 7 . 1 1 33 33 GLY C C 33 174.861 174.861 175.149 -0.288 18415 4806 1 7 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.241 -0.574 18415 4807 1 7 . 1 1 33 33 GLY H H 33 8.053 8.053 8.402 -0.349 18415 4808 1 7 . 1 1 34 34 MET N N 34 116.998 116.998 119.675 -2.677 18415 4809 1 7 . 1 1 34 34 MET HA H 34 4.596 4.596 4.524 0.072 18415 4810 1 7 . 1 1 34 34 MET C C 34 175.356 175.356 175.903 -0.547 18415 4811 1 7 . 1 1 34 34 MET CA C 34 54.887 54.887 54.582 0.305 18415 4812 1 7 . 1 1 34 34 MET CB C 34 33.959 33.959 32.261 1.698 18415 4813 1 7 . 1 1 34 34 MET H H 34 7.441 7.441 7.766 -0.325 18415 4814 1 7 . 1 1 35 35 GLY N N 35 106.474 106.474 107.935 -1.461 18415 4815 1 7 . 1 1 35 35 GLY C C 35 173.112 173.112 173.037 0.075 18415 4816 1 7 . 1 1 35 35 GLY CA C 35 45.401 45.401 44.920 0.480 18415 4817 1 7 . 1 1 35 35 GLY H H 35 7.807 7.807 7.905 -0.098 18415 4818 1 7 . 1 1 36 36 ALA N N 36 121.833 121.833 120.670 1.163 18415 4819 1 7 . 1 1 36 36 ALA HA H 36 4.702 4.702 5.025 -0.323 18415 4820 1 7 . 1 1 36 36 ALA C C 36 174.285 174.285 175.384 -1.099 18415 4821 1 7 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.919 -1.198 18415 4822 1 7 . 1 1 36 36 ALA CB C 36 24.662 24.662 22.214 2.448 18415 4823 1 7 . 1 1 36 36 ALA H H 36 7.693 7.693 7.112 0.581 18415 4824 1 7 . 1 1 37 37 HIS N N 37 111.683 111.683 115.994 -4.311 18415 4825 1 7 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.201 -0.070 18415 4826 1 7 . 1 1 37 37 HIS C C 37 175.351 175.351 174.205 1.146 18415 4827 1 7 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.488 -0.915 18415 4828 1 7 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.460 0.511 18415 4829 1 7 . 1 1 37 37 HIS H H 37 8.078 8.078 9.052 -0.974 18415 4830 1 7 . 1 1 38 38 LEU N N 38 123.260 123.260 121.919 1.341 18415 4831 1 7 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.373 0.400 18415 4832 1 7 . 1 1 38 38 LEU C C 38 179.180 179.180 177.287 1.893 18415 4833 1 7 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.584 0.782 18415 4834 1 7 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.767 0.889 18415 4835 1 7 . 1 1 38 38 LEU H H 38 9.964 9.964 8.484 1.480 18415 4836 1 7 . 1 1 39 39 MET N N 39 119.511 119.511 122.911 -3.400 18415 4837 1 7 . 1 1 39 39 MET HA H 39 3.855 3.855 4.632 -0.777 18415 4838 1 7 . 1 1 39 39 MET C C 39 174.874 174.874 175.089 -0.215 18415 4839 1 7 . 1 1 39 39 MET CA C 39 58.789 58.789 56.577 2.212 18415 4840 1 7 . 1 1 39 39 MET CB C 39 34.405 34.405 33.452 0.953 18415 4841 1 7 . 1 1 39 39 MET H H 39 8.409 8.409 8.790 -0.381 18415 4842 1 7 . 1 1 40 40 THR N N 40 123.771 123.771 117.879 5.892 18415 4843 1 7 . 1 1 40 40 THR HA H 40 4.013 4.013 4.502 -0.489 18415 4844 1 7 . 1 1 40 40 THR C C 40 172.936 172.936 173.913 -0.977 18415 4845 1 7 . 1 1 40 40 THR CA C 40 59.869 59.869 59.117 0.752 18415 4846 1 7 . 1 1 40 40 THR CB C 40 70.587 70.587 69.719 0.868 18415 4847 1 7 . 1 1 40 40 THR H H 40 6.822 6.822 8.290 -1.468 18415 4848 1 7 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.036 0.213 18415 4849 1 7 . 1 1 41 41 ILE C C 41 174.349 174.349 176.119 -1.770 18415 4850 1 7 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.274 -2.517 18415 4851 1 7 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.806 1.765 18415 4852 1 7 . 1 1 42 42 SER N N 42 122.113 122.113 122.822 -0.709 18415 4853 1 7 . 1 1 42 42 SER HA H 42 4.647 4.647 4.459 0.188 18415 4854 1 7 . 1 1 42 42 SER C C 42 174.502 174.502 174.349 0.153 18415 4855 1 7 . 1 1 42 42 SER CA C 42 59.768 59.768 59.757 0.011 18415 4856 1 7 . 1 1 42 42 SER CB C 42 64.720 64.720 64.912 -0.192 18415 4857 1 7 . 1 1 42 42 SER H H 42 9.230 9.230 9.430 -0.200 18415 4858 1 7 . 1 1 43 43 THR N N 43 108.516 108.516 110.906 -2.390 18415 4859 1 7 . 1 1 43 43 THR HA H 43 4.807 4.807 4.731 0.076 18415 4860 1 7 . 1 1 43 43 THR C C 43 173.812 173.812 174.535 -0.723 18415 4861 1 7 . 1 1 43 43 THR CA C 43 59.249 59.249 60.169 -0.920 18415 4862 1 7 . 1 1 43 43 THR CB C 43 73.128 73.128 72.302 0.826 18415 4863 1 7 . 1 1 43 43 THR H H 43 7.559 7.559 7.411 0.148 18415 4864 1 7 . 1 1 44 44 GLU N N 44 123.057 123.057 124.020 -0.963 18415 4865 1 7 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.173 -0.724 18415 4866 1 7 . 1 1 44 44 GLU C C 44 178.262 178.262 178.033 0.229 18415 4867 1 7 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.907 -0.578 18415 4868 1 7 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.886 0.556 18415 4869 1 7 . 1 1 44 44 GLU H H 44 9.377 9.377 9.092 0.285 18415 4870 1 7 . 1 1 45 45 ALA N N 45 119.910 119.910 121.978 -2.068 18415 4871 1 7 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.211 -0.161 18415 4872 1 7 . 1 1 45 45 ALA C C 45 180.096 180.096 179.568 0.528 18415 4873 1 7 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.019 0.161 18415 4874 1 7 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.093 0.174 18415 4875 1 7 . 1 1 45 45 ALA H H 45 8.328 8.328 8.554 -0.226 18415 4876 1 7 . 1 1 46 46 GLU N N 46 118.861 118.861 118.825 0.036 18415 4877 1 7 . 1 1 46 46 GLU HA H 46 3.612 3.612 2.505 1.107 18415 4878 1 7 . 1 1 46 46 GLU C C 46 177.452 177.452 178.133 -0.681 18415 4879 1 7 . 1 1 46 46 GLU CA C 46 59.284 59.284 58.943 0.341 18415 4880 1 7 . 1 1 46 46 GLU CB C 46 30.513 30.513 28.892 1.621 18415 4881 1 7 . 1 1 46 46 GLU H H 46 7.852 7.852 7.658 0.194 18415 4882 1 7 . 1 1 47 47 GLN N N 47 119.473 119.473 118.787 0.686 18415 4883 1 7 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.681 0.006 18415 4884 1 7 . 1 1 47 47 GLN C C 47 176.429 176.429 177.926 -1.497 18415 4885 1 7 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.920 0.988 18415 4886 1 7 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.353 1.623 18415 4887 1 7 . 1 1 47 47 GLN H H 47 7.054 7.054 7.556 -0.502 18415 4888 1 7 . 1 1 48 48 ASN N N 48 115.182 115.182 117.268 -2.086 18415 4889 1 7 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.207 0.006 18415 4890 1 7 . 1 1 48 48 ASN C C 48 176.986 176.986 177.273 -0.287 18415 4891 1 7 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.206 -1.177 18415 4892 1 7 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.455 -0.897 18415 4893 1 7 . 1 1 48 48 ASN H H 48 8.416 8.416 7.962 0.454 18415 4894 1 7 . 1 1 49 49 PHE N N 49 118.413 118.413 116.172 2.241 18415 4895 1 7 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.302 -0.323 18415 4896 1 7 . 1 1 49 49 PHE C C 49 177.254 177.254 177.710 -0.456 18415 4897 1 7 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.698 -0.536 18415 4898 1 7 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.544 -1.461 18415 4899 1 7 . 1 1 49 49 PHE H H 49 7.473 7.473 7.994 -0.521 18415 4900 1 7 . 1 1 50 50 ILE N N 50 117.601 117.601 121.920 -4.319 18415 4901 1 7 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.971 -0.430 18415 4902 1 7 . 1 1 50 50 ILE C C 50 176.891 176.891 176.178 0.713 18415 4903 1 7 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.090 -2.438 18415 4904 1 7 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.261 0.948 18415 4905 1 7 . 1 1 50 50 ILE H H 50 7.020 7.020 7.731 -0.711 18415 4906 1 7 . 1 1 51 51 ILE N N 51 114.824 114.824 115.824 -1.000 18415 4907 1 7 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.133 -0.240 18415 4908 1 7 . 1 1 51 51 ILE C C 51 177.092 177.092 176.227 0.865 18415 4909 1 7 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.919 1.285 18415 4910 1 7 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.125 0.795 18415 4911 1 7 . 1 1 51 51 ILE H H 51 7.216 7.216 7.626 -0.410 18415 4912 1 7 . 1 1 52 52 GLN N N 52 116.767 116.767 118.747 -1.980 18415 4913 1 7 . 1 1 52 52 GLN HA H 52 3.770 3.770 4.037 -0.267 18415 4914 1 7 . 1 1 52 52 GLN C C 52 176.442 176.442 176.316 0.126 18415 4915 1 7 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.548 -0.278 18415 4916 1 7 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.763 0.257 18415 4917 1 7 . 1 1 52 52 GLN H H 52 6.416 6.416 7.258 -0.842 18415 4918 1 7 . 1 1 53 53 PHE N N 53 115.400 115.400 118.269 -2.869 18415 4919 1 7 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.500 0.077 18415 4920 1 7 . 1 1 53 53 PHE C C 53 174.993 174.993 175.994 -1.001 18415 4921 1 7 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.192 -2.297 18415 4922 1 7 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.213 -0.680 18415 4923 1 7 . 1 1 53 53 PHE H H 53 7.216 7.216 7.363 -0.147 18415 4924 1 7 . 1 1 54 54 LEU N N 54 118.096 118.096 120.606 -2.510 18415 4925 1 7 . 1 1 54 54 LEU HA H 54 4.091 4.091 4.047 0.044 18415 4926 1 7 . 1 1 54 54 LEU C C 54 175.467 175.467 176.036 -0.569 18415 4927 1 7 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.444 -0.873 18415 4928 1 7 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.705 0.002 18415 4929 1 7 . 1 1 54 54 LEU H H 54 6.668 6.668 7.536 -0.868 18415 4930 1 7 . 1 1 55 55 ASP N N 55 123.723 123.723 122.370 1.353 18415 4931 1 7 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.698 0.117 18415 4932 1 7 . 1 1 55 55 ASP C C 55 177.896 177.896 176.999 0.897 18415 4933 1 7 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.263 -1.165 18415 4934 1 7 . 1 1 55 55 ASP CB C 55 42.662 42.662 43.019 -0.357 18415 4935 1 7 . 1 1 55 55 ASP H H 55 8.687 8.687 8.519 0.168 18415 4936 1 7 . 1 1 56 56 ARG N N 56 124.370 124.370 124.163 0.207 18415 4937 1 7 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.887 0.423 18415 4938 1 7 . 1 1 56 56 ARG C C 56 178.201 178.201 176.002 2.199 18415 4939 1 7 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.221 2.736 18415 4940 1 7 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.380 2.198 18415 4941 1 7 . 1 1 56 56 ARG H H 56 8.758 8.758 8.636 0.122 18415 4942 1 7 . 1 1 57 57 ARG N N 57 120.411 120.411 116.133 4.278 18415 4943 1 7 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.402 -0.108 18415 4944 1 7 . 1 1 57 57 ARG C C 57 177.064 177.064 175.655 1.409 18415 4945 1 7 . 1 1 57 57 ARG CA C 57 57.532 57.532 55.991 1.541 18415 4946 1 7 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.227 -1.535 18415 4947 1 7 . 1 1 57 57 ARG H H 57 9.150 9.150 8.008 1.142 18415 4948 1 7 . 1 1 58 58 LEU N N 58 119.445 119.445 122.298 -2.853 18415 4949 1 7 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.537 0.167 18415 4950 1 7 . 1 1 58 58 LEU C C 58 176.450 176.450 176.045 0.405 18415 4951 1 7 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.286 0.993 18415 4952 1 7 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.398 -0.140 18415 4953 1 7 . 1 1 58 58 LEU H H 58 8.328 8.328 7.581 0.747 18415 4954 1 7 . 1 1 59 59 SER N N 59 116.536 116.536 115.299 1.237 18415 4955 1 7 . 1 1 59 59 SER HA H 59 5.505 5.505 4.933 0.572 18415 4956 1 7 . 1 1 59 59 SER C C 59 173.263 173.263 173.448 -0.185 18415 4957 1 7 . 1 1 59 59 SER CA C 59 57.199 57.199 56.784 0.415 18415 4958 1 7 . 1 1 59 59 SER CB C 59 65.064 65.064 63.992 1.072 18415 4959 1 7 . 1 1 59 59 SER H H 59 8.470 8.470 8.496 -0.026 18415 4960 1 7 . 1 1 60 60 TYR N N 60 120.274 120.274 124.567 -4.293 18415 4961 1 7 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.778 -0.501 18415 4962 1 7 . 1 1 60 60 TYR C C 60 175.560 175.560 175.835 -0.275 18415 4963 1 7 . 1 1 60 60 TYR CA C 60 56.472 56.472 57.074 -0.602 18415 4964 1 7 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.392 2.115 18415 4965 1 7 . 1 1 60 60 TYR H H 60 8.897 8.897 9.151 -0.254 18415 4966 1 7 . 1 1 61 61 PHE N N 61 123.635 123.635 122.793 0.842 18415 4967 1 7 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.557 0.731 18415 4968 1 7 . 1 1 61 61 PHE C C 61 175.433 175.433 175.428 0.005 18415 4969 1 7 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.156 -0.080 18415 4970 1 7 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.261 1.608 18415 4971 1 7 . 1 1 61 61 PHE H H 61 9.521 9.521 8.961 0.560 18415 4972 1 7 . 1 1 62 62 LEU N N 62 114.382 114.382 120.684 -6.302 18415 4973 1 7 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.020 0.053 18415 4974 1 7 . 1 1 62 62 LEU C C 62 179.521 179.521 178.199 1.322 18415 4975 1 7 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.228 -1.446 18415 4976 1 7 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.652 1.624 18415 4977 1 7 . 1 1 62 62 LEU H H 62 8.394 8.394 8.411 -0.017 18415 4978 1 7 . 1 1 63 63 GLY N N 63 106.675 106.675 108.044 -1.369 18415 4979 1 7 . 1 1 63 63 GLY C C 63 172.404 172.404 174.375 -1.971 18415 4980 1 7 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.266 2.127 18415 4981 1 7 . 1 1 63 63 GLY H H 63 9.253 9.253 8.870 0.383 18415 4982 1 7 . 1 1 64 64 LEU N N 64 124.754 124.754 121.234 3.520 18415 4983 1 7 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.523 0.061 18415 4984 1 7 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.438 -0.136 18415 4985 1 7 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.002 1.270 18415 4986 1 7 . 1 1 64 64 LEU H H 64 6.840 6.840 7.577 -0.737 18415 4987 1 7 . 1 1 65 65 ARG N N 65 124.476 124.476 124.822 -0.346 18415 4988 1 7 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.446 0.714 18415 4989 1 7 . 1 1 65 65 ARG C C 65 174.245 174.245 173.742 0.503 18415 4990 1 7 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.346 0.558 18415 4991 1 7 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.946 0.585 18415 4992 1 7 . 1 1 65 65 ARG H H 65 8.218 8.218 8.151 0.067 18415 4993 1 7 . 1 1 66 66 ASP N N 66 126.754 126.754 124.352 2.402 18415 4994 1 7 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.355 0.074 18415 4995 1 7 . 1 1 66 66 ASP C C 66 176.516 176.516 175.478 1.038 18415 4996 1 7 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.721 -0.867 18415 4997 1 7 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.694 -2.926 18415 4998 1 7 . 1 1 66 66 ASP H H 66 8.756 8.756 8.552 0.204 18415 4999 1 7 . 1 1 67 67 GLU N N 67 123.390 123.390 121.623 1.767 18415 5000 1 7 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.385 -0.609 18415 5001 1 7 . 1 1 67 67 GLU C C 67 175.648 175.648 174.905 0.743 18415 5002 1 7 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.570 3.278 18415 5003 1 7 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.376 0.940 18415 5004 1 7 . 1 1 67 67 GLU H H 67 8.488 8.488 8.394 0.094 18415 5005 1 7 . 1 1 68 68 ASN N N 68 114.882 114.882 117.058 -2.176 18415 5006 1 7 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.575 0.089 18415 5007 1 7 . 1 1 68 68 ASN C C 68 174.482 174.482 174.122 0.360 18415 5008 1 7 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.624 -0.710 18415 5009 1 7 . 1 1 68 68 ASN CB C 68 39.412 39.412 39.390 0.022 18415 5010 1 7 . 1 1 68 68 ASN H H 68 8.336 8.336 8.004 0.332 18415 5011 1 7 . 1 1 69 69 ALA N N 69 118.915 118.915 120.812 -1.897 18415 5012 1 7 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.980 -0.106 18415 5013 1 7 . 1 1 69 69 ALA C C 69 177.082 177.082 177.176 -0.094 18415 5014 1 7 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.428 0.204 18415 5015 1 7 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.527 0.644 18415 5016 1 7 . 1 1 69 69 ALA H H 69 7.444 7.444 8.650 -1.206 18415 5017 1 7 . 1 1 70 70 LYS N N 70 117.439 117.439 118.384 -0.945 18415 5018 1 7 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.196 0.122 18415 5019 1 7 . 1 1 70 70 LYS C C 70 177.726 177.726 177.959 -0.233 18415 5020 1 7 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.160 -0.737 18415 5021 1 7 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.638 0.098 18415 5022 1 7 . 1 1 70 70 LYS H H 70 7.925 7.925 8.090 -0.165 18415 5023 1 7 . 1 1 71 71 GLY C C 71 175.127 175.127 174.775 0.352 18415 5024 1 7 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.596 0.078 18415 5025 1 7 . 1 1 72 72 GLN N N 72 124.084 124.084 119.548 4.536 18415 5026 1 7 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.191 0.200 18415 5027 1 7 . 1 1 72 72 GLN C C 72 174.283 174.283 175.391 -1.108 18415 5028 1 7 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.571 -0.414 18415 5029 1 7 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.072 0.561 18415 5030 1 7 . 1 1 72 72 GLN H H 72 7.749 7.749 7.815 -0.066 18415 5031 1 7 . 1 1 73 73 TRP N N 73 121.803 121.803 126.363 -4.560 18415 5032 1 7 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.203 -0.298 18415 5033 1 7 . 1 1 73 73 TRP C C 73 175.776 175.776 175.554 0.222 18415 5034 1 7 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.549 -0.728 18415 5035 1 7 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.443 0.433 18415 5036 1 7 . 1 1 73 73 TRP H H 73 6.599 6.599 7.592 -0.993 18415 5037 1 7 . 1 1 74 74 ARG N N 74 119.549 119.549 118.640 0.909 18415 5038 1 7 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.783 -0.077 18415 5039 1 7 . 1 1 74 74 ARG C C 74 176.980 176.980 174.970 2.010 18415 5040 1 7 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.228 0.105 18415 5041 1 7 . 1 1 74 74 ARG CB C 74 34.623 34.623 33.291 1.332 18415 5042 1 7 . 1 1 74 74 ARG H H 74 8.443 8.443 7.700 0.743 18415 5043 1 7 . 1 1 75 75 TRP N N 75 125.690 125.690 121.881 3.809 18415 5044 1 7 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.111 0.316 18415 5045 1 7 . 1 1 75 75 TRP C C 75 180.474 180.474 177.994 2.480 18415 5046 1 7 . 1 1 75 75 TRP CA C 75 55.766 55.766 56.915 -1.149 18415 5047 1 7 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.180 0.850 18415 5048 1 7 . 1 1 75 75 TRP H H 75 9.052 9.052 8.745 0.307 18415 5049 1 7 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.047 0.231 18415 5050 1 7 . 1 1 76 76 VAL C C 76 175.431 175.431 176.319 -0.888 18415 5051 1 7 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.064 0.500 18415 5052 1 7 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.282 0.087 18415 5053 1 7 . 1 1 77 77 ASP N N 77 119.941 119.941 118.150 1.791 18415 5054 1 7 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.934 -0.956 18415 5055 1 7 . 1 1 77 77 ASP C C 77 176.293 176.293 176.276 0.017 18415 5056 1 7 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.078 -0.319 18415 5057 1 7 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.376 0.034 18415 5058 1 7 . 1 1 77 77 ASP H H 77 8.004 8.004 8.427 -0.423 18415 5059 1 7 . 1 1 78 78 GLN N N 78 109.962 109.962 116.701 -6.739 18415 5060 1 7 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.029 0.096 18415 5061 1 7 . 1 1 78 78 GLN C C 78 176.387 176.387 174.076 2.311 18415 5062 1 7 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.007 -0.215 18415 5063 1 7 . 1 1 78 78 GLN CB C 78 26.101 26.101 26.897 -0.796 18415 5064 1 7 . 1 1 78 78 GLN H H 78 8.124 8.124 7.875 0.249 18415 5065 1 7 . 1 1 79 79 THR N N 79 121.656 121.656 115.667 5.989 18415 5066 1 7 . 1 1 79 79 THR HA H 79 4.250 4.250 4.516 -0.266 18415 5067 1 7 . 1 1 79 79 THR C C 79 172.901 172.901 173.137 -0.236 18415 5068 1 7 . 1 1 79 79 THR CA C 79 63.165 63.165 62.440 0.725 18415 5069 1 7 . 1 1 79 79 THR CB C 79 69.427 69.427 68.675 0.752 18415 5070 1 7 . 1 1 79 79 THR H H 79 8.172 8.172 8.133 0.039 18415 5071 1 7 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.732 -0.210 18415 5072 1 7 . 1 1 80 80 PRO C C 80 176.940 176.940 176.445 0.495 18415 5073 1 7 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.800 0.888 18415 5074 1 7 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.493 -0.306 18415 5075 1 7 . 1 1 81 81 PHE N N 81 125.403 125.403 121.712 3.691 18415 5076 1 7 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.780 0.129 18415 5077 1 7 . 1 1 81 81 PHE C C 81 174.853 174.853 174.783 0.070 18415 5078 1 7 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.452 -0.098 18415 5079 1 7 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.918 0.101 18415 5080 1 7 . 1 1 81 81 PHE H H 81 9.015 9.015 8.776 0.239 18415 5081 1 7 . 1 1 82 82 ASN N N 82 129.264 129.264 125.882 3.382 18415 5082 1 7 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.806 0.249 18415 5083 1 7 . 1 1 82 82 ASN C C 82 173.643 173.643 173.347 0.296 18415 5084 1 7 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.797 -2.994 18415 5085 1 7 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.611 0.884 18415 5086 1 7 . 1 1 82 82 ASN H H 82 8.985 8.985 8.246 0.739 18415 5087 1 7 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.500 -0.497 18415 5088 1 7 . 1 1 83 83 PRO C C 83 177.123 177.123 176.849 0.274 18415 5089 1 7 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.055 -0.270 18415 5090 1 7 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.411 0.103 18415 5091 1 7 . 1 1 84 84 ARG N N 84 114.801 114.801 116.506 -1.705 18415 5092 1 7 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.367 -0.044 18415 5093 1 7 . 1 1 84 84 ARG C C 84 176.890 176.890 176.529 0.361 18415 5094 1 7 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.510 -0.507 18415 5095 1 7 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.991 -0.833 18415 5096 1 7 . 1 1 84 84 ARG H H 84 7.697 7.697 8.091 -0.394 18415 5097 1 7 . 1 1 85 85 ARG N N 85 123.958 123.958 120.294 3.664 18415 5098 1 7 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.576 0.729 18415 5099 1 7 . 1 1 85 85 ARG C C 85 173.017 173.017 175.137 -2.120 18415 5100 1 7 . 1 1 85 85 ARG CA C 85 53.809 53.809 56.232 -2.423 18415 5101 1 7 . 1 1 85 85 ARG CB C 85 30.040 30.040 28.180 1.860 18415 5102 1 7 . 1 1 85 85 ARG H H 85 7.596 7.596 8.280 -0.684 18415 5103 1 7 . 1 1 86 86 VAL N N 86 110.039 110.039 118.099 -8.060 18415 5104 1 7 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.527 0.272 18415 5105 1 7 . 1 1 86 86 VAL CA C 86 58.266 58.266 62.245 -3.979 18415 5106 1 7 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.786 1.440 18415 5107 1 7 . 1 1 86 86 VAL H H 86 6.570 6.570 7.390 -0.820 18415 5108 1 7 . 1 1 87 87 PHE HA H 87 4.322 4.322 3.885 0.437 18415 5109 1 7 . 1 1 87 87 PHE C C 87 173.471 173.471 175.388 -1.917 18415 5110 1 7 . 1 1 87 87 PHE CA C 87 55.377 55.377 60.819 -5.442 18415 5111 1 7 . 1 1 87 87 PHE CB C 87 37.384 37.384 36.723 0.661 18415 5112 1 7 . 1 1 88 88 TRP N N 88 118.538 118.538 116.561 1.977 18415 5113 1 7 . 1 1 88 88 TRP HA H 88 4.802 4.802 3.939 0.863 18415 5114 1 7 . 1 1 88 88 TRP C C 88 179.297 179.297 176.604 2.693 18415 5115 1 7 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.881 -0.644 18415 5116 1 7 . 1 1 88 88 TRP CB C 88 31.550 31.550 28.582 2.967 18415 5117 1 7 . 1 1 88 88 TRP H H 88 6.633 6.633 7.153 -0.520 18415 5118 1 7 . 1 1 89 89 HIS N N 89 122.693 122.693 120.046 2.647 18415 5119 1 7 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.613 -0.242 18415 5120 1 7 . 1 1 89 89 HIS C C 89 175.621 175.621 176.208 -0.587 18415 5121 1 7 . 1 1 89 89 HIS CA C 89 58.121 58.121 56.085 2.036 18415 5122 1 7 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.575 1.137 18415 5123 1 7 . 1 1 89 89 HIS H H 89 9.473 9.473 9.664 -0.191 18415 5124 1 7 . 1 1 90 90 LYS N N 90 120.826 120.826 117.858 2.968 18415 5125 1 7 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.062 0.049 18415 5126 1 7 . 1 1 90 90 LYS C C 90 177.228 177.228 174.863 2.365 18415 5127 1 7 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.837 0.405 18415 5128 1 7 . 1 1 90 90 LYS CB C 90 32.482 32.482 31.110 1.371 18415 5129 1 7 . 1 1 90 90 LYS H H 90 8.741 8.741 8.713 0.028 18415 5130 1 7 . 1 1 91 91 ASN N N 91 117.166 117.166 115.652 1.514 18415 5131 1 7 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.690 -0.374 18415 5132 1 7 . 1 1 91 91 ASN C C 91 173.391 173.391 173.319 0.072 18415 5133 1 7 . 1 1 91 91 ASN CA C 91 55.335 55.335 52.973 2.362 18415 5134 1 7 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.174 -1.789 18415 5135 1 7 . 1 1 91 91 ASN H H 91 8.906 8.906 8.329 0.577 18415 5136 1 7 . 1 1 92 92 GLU N N 92 116.991 116.991 120.939 -3.948 18415 5137 1 7 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.859 -0.572 18415 5138 1 7 . 1 1 92 92 GLU C C 92 173.188 173.188 174.176 -0.988 18415 5139 1 7 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.357 -1.086 18415 5140 1 7 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.642 -0.188 18415 5141 1 7 . 1 1 92 92 GLU H H 92 7.738 7.738 8.109 -0.371 18415 5142 1 7 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.728 -0.083 18415 5143 1 7 . 1 1 95 95 ASN C C 95 175.699 175.699 176.302 -0.603 18415 5144 1 7 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.928 -0.469 18415 5145 1 7 . 1 1 95 95 ASN CB C 95 38.725 38.725 40.779 -2.054 18415 5146 1 7 . 1 1 96 96 SER N N 96 116.489 116.489 117.157 -0.668 18415 5147 1 7 . 1 1 96 96 SER HA H 96 4.405 4.405 4.582 -0.177 18415 5148 1 7 . 1 1 96 96 SER C C 96 174.831 174.831 173.315 1.516 18415 5149 1 7 . 1 1 96 96 SER CA C 96 58.753 58.753 56.952 1.801 18415 5150 1 7 . 1 1 96 96 SER CB C 96 64.216 64.216 62.165 2.051 18415 5151 1 7 . 1 1 96 96 SER H H 96 8.118 8.118 8.094 0.024 18415 5152 1 7 . 1 1 97 97 GLN N N 97 121.023 121.023 121.838 -0.815 18415 5153 1 7 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.154 0.098 18415 5154 1 7 . 1 1 97 97 GLN C C 97 176.063 176.063 175.668 0.395 18415 5155 1 7 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.124 -0.167 18415 5156 1 7 . 1 1 97 97 GLN CB C 97 29.528 29.528 27.746 1.782 18415 5157 1 7 . 1 1 97 97 GLN H H 97 8.371 8.371 7.734 0.637 18415 5158 1 7 . 1 1 98 98 GLY N N 98 110.498 110.498 113.442 -2.944 18415 5159 1 7 . 1 1 98 98 GLY C C 98 172.460 172.460 173.341 -0.881 18415 5160 1 7 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.659 -0.723 18415 5161 1 7 . 1 1 98 98 GLY H H 98 8.080 8.080 8.167 -0.087 18415 5162 1 7 . 1 1 99 99 GLU N N 99 119.919 119.919 124.221 -4.302 18415 5163 1 7 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.744 -0.473 18415 5164 1 7 . 1 1 99 99 GLU C C 99 176.605 176.605 175.060 1.545 18415 5165 1 7 . 1 1 99 99 GLU CA C 99 56.508 56.508 54.433 2.075 18415 5166 1 7 . 1 1 99 99 GLU CB C 99 29.469 29.469 30.294 -0.825 18415 5167 1 7 . 1 1 99 99 GLU H H 99 8.004 8.004 8.399 -0.395 18415 5168 1 7 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.872 0.408 18415 5169 1 7 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.744 0.637 18415 5170 1 7 . 1 1 100 100 ASN CB C 100 41.917 41.917 38.457 3.460 18415 5171 1 7 . 1 1 101 101 CYS N N 101 121.118 121.118 125.941 -4.823 18415 5172 1 7 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.080 0.410 18415 5173 1 7 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.448 0.890 18415 5174 1 7 . 1 1 101 101 CYS CB C 101 43.778 43.778 29.241 14.537 18415 5175 1 7 . 1 1 101 101 CYS H H 101 9.707 9.707 8.983 0.724 18415 5176 1 7 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.509 -0.323 18415 5177 1 7 . 1 1 102 102 VAL C C 102 175.530 175.530 175.350 0.180 18415 5178 1 7 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.085 2.948 18415 5179 1 7 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.730 2.424 18415 5180 1 7 . 1 1 103 103 VAL N N 103 115.890 115.890 119.140 -3.250 18415 5181 1 7 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.942 0.406 18415 5182 1 7 . 1 1 103 103 VAL C C 103 175.136 175.136 174.435 0.701 18415 5183 1 7 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.531 -0.794 18415 5184 1 7 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.487 0.647 18415 5185 1 7 . 1 1 103 103 VAL H H 103 8.698 8.698 8.448 0.250 18415 5186 1 7 . 1 1 104 104 LEU N N 104 124.477 124.477 127.330 -2.853 18415 5187 1 7 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.219 -0.243 18415 5188 1 7 . 1 1 104 104 LEU C C 104 176.248 176.248 175.476 0.772 18415 5189 1 7 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.436 0.557 18415 5190 1 7 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.795 3.047 18415 5191 1 7 . 1 1 104 104 LEU H H 104 9.453 9.453 9.205 0.248 18415 5192 1 7 . 1 1 105 105 VAL N N 105 123.109 123.109 128.186 -5.077 18415 5193 1 7 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.994 0.021 18415 5194 1 7 . 1 1 105 105 VAL C C 105 173.635 173.635 173.563 0.072 18415 5195 1 7 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.079 2.154 18415 5196 1 7 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.952 0.682 18415 5197 1 7 . 1 1 105 105 VAL H H 105 9.477 9.477 9.365 0.112 18415 5198 1 7 . 1 1 106 106 TYR N N 106 136.491 136.491 129.561 6.930 18415 5199 1 7 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.201 0.264 18415 5200 1 7 . 1 1 106 106 TYR C C 106 175.009 175.009 173.771 1.238 18415 5201 1 7 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.846 -0.797 18415 5202 1 7 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.212 0.739 18415 5203 1 7 . 1 1 106 106 TYR H H 106 9.509 9.509 8.367 1.142 18415 5204 1 7 . 1 1 107 107 ASN N N 107 124.433 124.433 124.554 -0.121 18415 5205 1 7 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.850 -0.300 18415 5206 1 7 . 1 1 107 107 ASN C C 107 173.919 173.919 174.600 -0.681 18415 5207 1 7 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.601 0.008 18415 5208 1 7 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.497 -0.487 18415 5209 1 7 . 1 1 107 107 ASN H H 107 8.329 8.329 8.336 -0.007 18415 5210 1 7 . 1 1 108 108 GLN N N 108 119.681 119.681 121.790 -2.109 18415 5211 1 7 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.963 -0.309 18415 5212 1 7 . 1 1 108 108 GLN C C 108 175.060 175.060 174.393 0.667 18415 5213 1 7 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.077 0.529 18415 5214 1 7 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.898 -1.634 18415 5215 1 7 . 1 1 108 108 GLN H H 108 8.558 8.558 9.014 -0.456 18415 5216 1 7 . 1 1 109 109 ASP N N 109 109.712 109.712 115.248 -5.536 18415 5217 1 7 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.821 0.156 18415 5218 1 7 . 1 1 109 109 ASP C C 109 174.354 174.354 174.524 -0.170 18415 5219 1 7 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.388 -0.189 18415 5220 1 7 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.691 -0.665 18415 5221 1 7 . 1 1 109 109 ASP H H 109 8.199 8.199 8.587 -0.388 18415 5222 1 7 . 1 1 110 110 LYS N N 110 115.590 115.590 115.816 -0.226 18415 5223 1 7 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.450 0.102 18415 5224 1 7 . 1 1 110 110 LYS C C 110 174.674 174.674 175.692 -1.018 18415 5225 1 7 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.231 1.238 18415 5226 1 7 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.175 1.414 18415 5227 1 7 . 1 1 110 110 LYS H H 110 7.081 7.081 6.962 0.119 18415 5228 1 7 . 1 1 111 111 TRP N N 111 122.248 122.248 123.911 -1.663 18415 5229 1 7 . 1 1 111 111 TRP HA H 111 5.073 5.073 4.728 0.345 18415 5230 1 7 . 1 1 111 111 TRP C C 111 175.920 175.920 176.382 -0.462 18415 5231 1 7 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.281 -1.092 18415 5232 1 7 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.631 1.238 18415 5233 1 7 . 1 1 111 111 TRP H H 111 8.650 8.650 8.564 0.086 18415 5234 1 7 . 1 1 112 112 ALA N N 112 124.184 124.184 125.063 -0.879 18415 5235 1 7 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.728 -0.560 18415 5236 1 7 . 1 1 112 112 ALA C C 112 174.995 174.995 175.038 -0.043 18415 5237 1 7 . 1 1 112 112 ALA CA C 112 52.315 52.315 50.782 1.533 18415 5238 1 7 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.805 -4.923 18415 5239 1 7 . 1 1 112 112 ALA H H 112 8.790 8.790 9.020 -0.230 18415 5240 1 7 . 1 1 113 113 TRP N N 113 118.725 118.725 119.552 -0.827 18415 5241 1 7 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.703 0.453 18415 5242 1 7 . 1 1 113 113 TRP C C 113 177.471 177.471 176.652 0.819 18415 5243 1 7 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.178 0.437 18415 5244 1 7 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.067 3.307 18415 5245 1 7 . 1 1 113 113 TRP H H 113 8.969 8.969 8.417 0.552 18415 5246 1 7 . 1 1 114 114 ASN N N 114 120.479 120.479 121.675 -1.196 18415 5247 1 7 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.138 0.352 18415 5248 1 7 . 1 1 114 114 ASN C C 114 174.708 174.708 174.682 0.026 18415 5249 1 7 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.784 -0.026 18415 5250 1 7 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.776 0.242 18415 5251 1 7 . 1 1 114 114 ASN H H 114 9.518 9.518 8.685 0.833 18415 5252 1 7 . 1 1 115 115 ASP N N 115 118.209 118.209 123.181 -4.972 18415 5253 1 7 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.901 0.970 18415 5254 1 7 . 1 1 115 115 ASP C C 115 174.291 174.291 174.685 -0.394 18415 5255 1 7 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.691 -2.504 18415 5256 1 7 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.456 -0.952 18415 5257 1 7 . 1 1 115 115 ASP H H 115 8.563 8.563 8.707 -0.144 18415 5258 1 7 . 1 1 116 116 VAL N N 116 118.669 118.669 121.632 -2.963 18415 5259 1 7 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.404 0.491 18415 5260 1 7 . 1 1 116 116 VAL C C 116 172.334 172.334 173.318 -0.984 18415 5261 1 7 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.811 -0.530 18415 5262 1 7 . 1 1 116 116 VAL CB C 116 34.333 34.333 35.855 -1.522 18415 5263 1 7 . 1 1 116 116 VAL H H 116 9.369 9.369 8.326 1.043 18415 5264 1 7 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.762 0.172 18415 5265 1 7 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.319 -0.243 18415 5266 1 7 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.471 0.888 18415 5267 1 7 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.338 0.112 18415 5268 1 7 . 1 1 118 118 CYS C C 118 175.583 175.583 175.763 -0.180 18415 5269 1 7 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.906 -2.002 18415 5270 1 7 . 1 1 118 118 CYS CB C 118 43.841 43.841 27.020 16.821 18415 5271 1 7 . 1 1 119 119 ASN N N 119 117.251 117.251 118.845 -1.594 18415 5272 1 7 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.921 -0.008 18415 5273 1 7 . 1 1 119 119 ASN C C 119 174.849 174.849 174.053 0.796 18415 5274 1 7 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.489 -0.347 18415 5275 1 7 . 1 1 119 119 ASN CB C 119 37.076 37.076 37.916 -0.840 18415 5276 1 7 . 1 1 119 119 ASN H H 119 8.411 8.411 8.442 -0.031 18415 5277 1 7 . 1 1 120 120 PHE N N 120 123.415 123.415 122.737 0.678 18415 5278 1 7 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.850 -0.304 18415 5279 1 7 . 1 1 120 120 PHE C C 120 173.156 173.156 174.161 -1.005 18415 5280 1 7 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.462 1.898 18415 5281 1 7 . 1 1 120 120 PHE CB C 120 40.449 40.449 43.018 -2.569 18415 5282 1 7 . 1 1 120 120 PHE H H 120 8.097 8.097 8.046 0.051 18415 5283 1 7 . 1 1 121 121 GLU N N 121 119.143 119.143 126.847 -7.704 18415 5284 1 7 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.343 0.210 18415 5285 1 7 . 1 1 121 121 GLU C C 121 174.732 174.732 174.940 -0.208 18415 5286 1 7 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.917 -2.329 18415 5287 1 7 . 1 1 121 121 GLU CB C 121 30.420 30.420 28.319 2.101 18415 5288 1 7 . 1 1 121 121 GLU H H 121 7.012 7.012 8.427 -1.415 18415 5289 1 7 . 1 1 122 122 ALA N N 122 125.793 125.793 127.203 -1.410 18415 5290 1 7 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.515 -0.044 18415 5291 1 7 . 1 1 122 122 ALA C C 122 177.616 177.616 175.705 1.911 18415 5292 1 7 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.626 0.617 18415 5293 1 7 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.552 -1.950 18415 5294 1 7 . 1 1 122 122 ALA H H 122 8.441 8.441 8.798 -0.357 18415 5295 1 7 . 1 1 123 123 SER N N 123 115.420 115.420 114.688 0.732 18415 5296 1 7 . 1 1 123 123 SER HA H 123 4.522 4.522 5.539 -1.017 18415 5297 1 7 . 1 1 123 123 SER C C 123 172.514 172.514 174.813 -2.299 18415 5298 1 7 . 1 1 123 123 SER CA C 123 60.661 60.661 57.582 3.079 18415 5299 1 7 . 1 1 123 123 SER CB C 123 62.943 62.943 63.968 -1.026 18415 5300 1 7 . 1 1 123 123 SER H H 123 7.716 7.716 8.168 -0.452 18415 5301 1 7 . 1 1 124 124 ARG N N 124 112.529 112.529 120.269 -7.740 18415 5302 1 7 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.918 0.572 18415 5303 1 7 . 1 1 124 124 ARG C C 124 173.779 173.779 173.866 -0.087 18415 5304 1 7 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.422 0.517 18415 5305 1 7 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.483 -2.558 18415 5306 1 7 . 1 1 124 124 ARG H H 124 8.840 8.840 8.802 0.038 18415 5307 1 7 . 1 1 125 125 ILE N N 125 116.525 116.525 123.687 -7.162 18415 5308 1 7 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.886 -0.168 18415 5309 1 7 . 1 1 125 125 ILE C C 125 175.656 175.656 174.504 1.152 18415 5310 1 7 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.887 0.949 18415 5311 1 7 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.072 0.486 18415 5312 1 7 . 1 1 125 125 ILE H H 125 6.989 6.989 8.319 -1.329 18415 5313 1 7 . 1 1 126 126 CYS N N 126 123.910 123.910 127.039 -3.129 18415 5314 1 7 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.328 0.242 18415 5315 1 7 . 1 1 126 126 CYS C C 126 173.662 173.662 173.653 0.009 18415 5316 1 7 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.234 -5.394 18415 5317 1 7 . 1 1 126 126 CYS CB C 126 39.141 39.141 30.242 8.899 18415 5318 1 7 . 1 1 126 126 CYS H H 126 8.288 8.288 9.001 -0.713 18415 5319 1 7 . 1 1 127 127 LYS N N 127 124.170 124.170 122.031 2.139 18415 5320 1 7 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.646 -0.027 18415 5321 1 7 . 1 1 127 127 LYS C C 127 174.637 174.637 175.030 -0.393 18415 5322 1 7 . 1 1 127 127 LYS CA C 127 55.235 55.235 53.883 1.353 18415 5323 1 7 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.298 3.220 18415 5324 1 7 . 1 1 127 127 LYS H H 127 9.681 9.681 9.492 0.189 18415 5325 1 7 . 1 1 128 128 ILE N N 128 129.226 129.226 122.317 6.909 18415 5326 1 7 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.824 0.076 18415 5327 1 7 . 1 1 128 128 ILE C C 128 172.463 172.463 173.281 -0.818 18415 5328 1 7 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.135 1.249 18415 5329 1 7 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.091 1.797 18415 5330 1 7 . 1 1 128 128 ILE H H 128 9.205 9.205 9.139 0.066 18415 5331 1 7 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.636 0.355 18415 5332 1 7 . 1 1 129 129 PRO C C 129 177.954 177.954 178.776 -0.822 18415 5333 1 7 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.860 -0.236 18415 5334 1 7 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.298 0.203 18415 5335 1 7 . 1 1 130 130 GLY N N 130 110.745 110.745 107.738 3.007 18415 5336 1 7 . 1 1 130 130 GLY C C 130 175.022 175.022 175.639 -0.617 18415 5337 1 7 . 1 1 130 130 GLY CA C 130 46.256 46.256 47.522 -1.266 18415 5338 1 7 . 1 1 130 130 GLY H H 130 8.673 8.673 9.002 -0.329 18415 5339 1 7 . 1 1 131 131 THR N N 131 112.246 112.246 109.951 2.295 18415 5340 1 7 . 1 1 131 131 THR HA H 131 4.427 4.427 3.889 0.538 18415 5341 1 7 . 1 1 131 131 THR C C 131 175.259 175.259 175.463 -0.204 18415 5342 1 7 . 1 1 131 131 THR CA C 131 61.500 61.500 64.242 -2.742 18415 5343 1 7 . 1 1 131 131 THR CB C 131 69.998 69.998 65.895 4.103 18415 5344 1 7 . 1 1 131 131 THR H H 131 7.870 7.870 8.319 -0.449 18415 5345 1 7 . 1 1 132 132 THR N N 132 116.455 116.455 114.064 2.391 18415 5346 1 7 . 1 1 132 132 THR HA H 132 4.281 4.281 3.826 0.455 18415 5347 1 7 . 1 1 132 132 THR C C 132 174.867 174.867 175.735 -0.868 18415 5348 1 7 . 1 1 132 132 THR CA C 132 62.453 62.453 65.713 -3.260 18415 5349 1 7 . 1 1 132 132 THR CB C 132 69.868 69.868 68.684 1.184 18415 5350 1 7 . 1 1 132 132 THR H H 132 8.120 8.120 7.861 0.259 18415 5351 1 7 . 1 1 133 133 LEU N N 133 124.001 124.001 119.171 4.830 18415 5352 1 7 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.010 0.252 18415 5353 1 7 . 1 1 133 133 LEU C C 133 177.365 177.365 177.560 -0.195 18415 5354 1 7 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.629 -0.882 18415 5355 1 7 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.451 0.871 18415 5356 1 7 . 1 1 133 133 LEU H H 133 8.117 8.117 8.227 -0.110 18415 5357 1 7 . 1 1 134 134 ASN N N 134 119.222 119.222 116.520 2.702 18415 5358 1 7 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.687 -0.066 18415 5359 1 7 . 1 1 134 134 ASN C C 134 175.725 175.725 175.988 -0.263 18415 5360 1 7 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.227 -1.602 18415 5361 1 7 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.017 -0.181 18415 5362 1 7 . 1 1 134 134 ASN H H 134 8.325 8.325 7.305 1.020 18415 5363 1 7 . 1 1 135 135 ALA N N 135 123.649 123.649 121.827 1.822 18415 5364 1 7 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.566 -0.437 18415 5365 1 7 . 1 1 135 135 ALA C C 135 179.061 179.061 178.549 0.512 18415 5366 1 7 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.968 1.964 18415 5367 1 7 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.289 0.650 18415 5368 1 7 . 1 1 135 135 ALA H H 135 8.205 8.205 8.136 0.069 18415 5369 1 7 . 1 1 136 136 GLU N N 136 119.187 119.187 121.258 -2.071 18415 5370 1 7 . 1 1 136 136 GLU HA H 136 4.205 4.205 3.928 0.277 18415 5371 1 7 . 1 1 136 136 GLU C C 136 177.504 177.504 178.852 -1.348 18415 5372 1 7 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.918 -2.039 18415 5373 1 7 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.061 0.585 18415 5374 1 7 . 1 1 136 136 GLU H H 136 8.349 8.349 8.103 0.246 18415 5375 1 7 . 1 1 137 137 ASN N N 137 118.988 118.988 117.181 1.807 18415 5376 1 7 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.695 -0.058 18415 5377 1 7 . 1 1 137 137 ASN C C 137 176.785 176.785 177.693 -0.908 18415 5378 1 7 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.461 -0.987 18415 5379 1 7 . 1 1 137 137 ASN CB C 137 38.709 38.709 37.627 1.082 18415 5380 1 7 . 1 1 137 137 ASN H H 137 8.259 8.259 8.548 -0.289 18415 5381 1 7 . 1 1 138 138 LEU N N 138 121.438 121.438 121.174 0.264 18415 5382 1 7 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.104 0.031 18415 5383 1 7 . 1 1 138 138 LEU C C 138 178.872 178.872 178.489 0.383 18415 5384 1 7 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.160 -1.233 18415 5385 1 7 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.259 0.742 18415 5386 1 7 . 1 1 138 138 LEU H H 138 8.084 8.084 7.661 0.423 18415 5387 1 7 . 1 1 139 139 TYR N N 139 120.558 120.558 118.234 2.324 18415 5388 1 7 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.365 -0.079 18415 5389 1 7 . 1 1 139 139 TYR C C 139 177.587 177.587 178.073 -0.486 18415 5390 1 7 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.991 -0.846 18415 5391 1 7 . 1 1 139 139 TYR CB C 139 38.366 38.366 39.246 -0.880 18415 5392 1 7 . 1 1 139 139 TYR H H 139 8.130 8.130 8.516 -0.386 18415 5393 1 7 . 1 1 140 140 PHE N N 140 120.508 120.508 121.036 -0.528 18415 5394 1 7 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.260 0.095 18415 5395 1 7 . 1 1 140 140 PHE C C 140 177.425 177.425 176.419 1.006 18415 5396 1 7 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.650 -1.020 18415 5397 1 7 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.208 0.044 18415 5398 1 7 . 1 1 140 140 PHE H H 140 8.275 8.275 8.141 0.134 18415 5399 1 7 . 1 1 141 141 GLN N N 141 119.274 119.274 117.320 1.954 18415 5400 1 7 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.176 -0.063 18415 5401 1 7 . 1 1 141 141 GLN C C 141 176.976 176.976 175.791 1.185 18415 5402 1 7 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.185 1.178 18415 5403 1 7 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.229 -0.201 18415 5404 1 7 . 1 1 141 141 GLN H H 141 8.250 8.250 7.911 0.339 18415 5405 1 8 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.380 -0.593 18415 5406 1 8 . 1 1 2 2 VAL C C 2 172.250 172.250 174.191 -1.941 18415 5407 1 8 . 1 1 2 2 VAL CA C 2 61.294 61.294 61.061 0.233 18415 5408 1 8 . 1 1 2 2 VAL CB C 2 33.708 33.708 33.613 0.095 18415 5409 1 8 . 1 1 3 3 CYS N N 3 121.988 121.988 126.129 -4.141 18415 5410 1 8 . 1 1 3 3 CYS HA H 3 5.205 5.205 5.159 0.046 18415 5411 1 8 . 1 1 3 3 CYS C C 3 171.993 171.993 172.995 -1.002 18415 5412 1 8 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.606 -4.562 18415 5413 1 8 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.573 9.888 18415 5414 1 8 . 1 1 3 3 CYS H H 3 8.628 8.628 8.692 -0.064 18415 5415 1 8 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.901 -0.078 18415 5416 1 8 . 1 1 5 5 ILE C C 5 176.622 176.622 176.374 0.248 18415 5417 1 8 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.792 0.508 18415 5418 1 8 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.001 0.043 18415 5419 1 8 . 1 1 6 6 ASP N N 6 117.894 117.894 126.527 -8.633 18415 5420 1 8 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.400 -0.056 18415 5421 1 8 . 1 1 6 6 ASP H H 6 8.606 8.606 8.654 -0.048 18415 5422 1 8 . 1 1 7 7 TRP N N 7 120.564 120.564 119.104 1.460 18415 5423 1 8 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.699 -0.009 18415 5424 1 8 . 1 1 7 7 TRP C C 7 176.415 176.415 177.093 -0.678 18415 5425 1 8 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.960 0.078 18415 5426 1 8 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.223 -0.452 18415 5427 1 8 . 1 1 7 7 TRP H H 7 8.208 8.208 7.817 0.391 18415 5428 1 8 . 1 1 8 8 ARG N N 8 119.872 119.872 125.993 -6.121 18415 5429 1 8 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.183 0.503 18415 5430 1 8 . 1 1 8 8 ARG C C 8 176.146 176.146 175.794 0.352 18415 5431 1 8 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.812 -0.871 18415 5432 1 8 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.569 1.994 18415 5433 1 8 . 1 1 8 8 ARG H H 8 9.456 9.456 9.097 0.359 18415 5434 1 8 . 1 1 9 9 ALA N N 9 127.265 127.265 130.298 -3.033 18415 5435 1 8 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.901 0.490 18415 5436 1 8 . 1 1 9 9 ALA C C 9 176.927 176.927 176.427 0.500 18415 5437 1 8 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.705 0.305 18415 5438 1 8 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.462 3.201 18415 5439 1 8 . 1 1 9 9 ALA H H 9 8.819 8.819 8.136 0.683 18415 5440 1 8 . 1 1 10 10 PHE N N 10 120.450 120.450 127.432 -6.982 18415 5441 1 8 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.714 -0.520 18415 5442 1 8 . 1 1 10 10 PHE C C 10 174.606 174.606 174.866 -0.260 18415 5443 1 8 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.639 0.887 18415 5444 1 8 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.326 -0.465 18415 5445 1 8 . 1 1 10 10 PHE H H 10 8.202 8.202 9.119 -0.917 18415 5446 1 8 . 1 1 11 11 GLN N N 11 126.391 126.391 124.692 1.699 18415 5447 1 8 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.654 -0.193 18415 5448 1 8 . 1 1 11 11 GLN C C 11 175.859 175.859 175.865 -0.006 18415 5449 1 8 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.938 -0.686 18415 5450 1 8 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.469 -1.507 18415 5451 1 8 . 1 1 11 11 GLN H H 11 8.872 8.872 8.773 0.099 18415 5452 1 8 . 1 1 12 12 SER N N 12 113.087 113.087 112.733 0.354 18415 5453 1 8 . 1 1 12 12 SER HA H 12 4.252 4.252 4.727 -0.475 18415 5454 1 8 . 1 1 12 12 SER C C 12 173.339 173.339 172.702 0.637 18415 5455 1 8 . 1 1 12 12 SER CA C 12 59.795 59.795 58.218 1.577 18415 5456 1 8 . 1 1 12 12 SER CB C 12 62.943 62.943 65.272 -2.329 18415 5457 1 8 . 1 1 12 12 SER H H 12 8.189 8.189 8.384 -0.195 18415 5458 1 8 . 1 1 13 13 ASN N N 13 118.336 118.336 118.000 0.336 18415 5459 1 8 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.207 0.049 18415 5460 1 8 . 1 1 13 13 ASN C C 13 174.330 174.330 173.449 0.881 18415 5461 1 8 . 1 1 13 13 ASN CA C 13 52.342 52.342 51.810 0.532 18415 5462 1 8 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.854 2.604 18415 5463 1 8 . 1 1 13 13 ASN H H 13 8.242 8.242 7.759 0.483 18415 5464 1 8 . 1 1 14 14 CYS N N 14 118.315 118.315 117.568 0.747 18415 5465 1 8 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.505 0.356 18415 5466 1 8 . 1 1 14 14 CYS C C 14 174.314 174.314 173.440 0.874 18415 5467 1 8 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.807 -5.122 18415 5468 1 8 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.374 13.645 18415 5469 1 8 . 1 1 14 14 CYS H H 14 8.592 8.592 8.947 -0.355 18415 5470 1 8 . 1 1 15 15 TYR N N 15 121.588 121.588 121.571 0.017 18415 5471 1 8 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.217 0.560 18415 5472 1 8 . 1 1 15 15 TYR C C 15 176.333 176.333 174.400 1.933 18415 5473 1 8 . 1 1 15 15 TYR CA C 15 57.616 57.616 56.236 1.380 18415 5474 1 8 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.950 2.633 18415 5475 1 8 . 1 1 15 15 TYR H H 15 9.947 9.947 9.123 0.824 18415 5476 1 8 . 1 1 16 16 PHE N N 16 121.989 121.989 122.223 -0.234 18415 5477 1 8 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.640 0.271 18415 5478 1 8 . 1 1 16 16 PHE C C 16 172.937 172.937 172.764 0.173 18415 5479 1 8 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.213 -0.815 18415 5480 1 8 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.221 -2.151 18415 5481 1 8 . 1 1 16 16 PHE H H 16 8.717 8.717 8.914 -0.197 18415 5482 1 8 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.763 0.353 18415 5483 1 8 . 1 1 17 17 PRO C C 17 175.445 175.445 175.182 0.263 18415 5484 1 8 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.803 -0.316 18415 5485 1 8 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.992 -0.001 18415 5486 1 8 . 1 1 18 18 LEU N N 18 126.062 126.062 125.658 0.404 18415 5487 1 8 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.654 0.027 18415 5488 1 8 . 1 1 18 18 LEU C C 18 177.391 177.391 177.634 -0.243 18415 5489 1 8 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.222 1.138 18415 5490 1 8 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.050 1.432 18415 5491 1 8 . 1 1 18 18 LEU H H 18 9.054 9.054 9.121 -0.067 18415 5492 1 8 . 1 1 19 19 THR N N 19 109.256 109.256 111.906 -2.650 18415 5493 1 8 . 1 1 19 19 THR HA H 19 4.612 4.612 4.348 0.264 18415 5494 1 8 . 1 1 19 19 THR C C 19 175.613 175.613 173.850 1.763 18415 5495 1 8 . 1 1 19 19 THR CA C 19 62.236 62.236 61.286 0.950 18415 5496 1 8 . 1 1 19 19 THR CB C 19 69.530 69.530 69.119 0.411 18415 5497 1 8 . 1 1 19 19 THR H H 19 8.303 8.303 8.622 -0.319 18415 5498 1 8 . 1 1 20 20 ASP N N 20 121.645 121.645 121.828 -0.183 18415 5499 1 8 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.574 -0.117 18415 5500 1 8 . 1 1 20 20 ASP C C 20 174.684 174.684 175.249 -0.565 18415 5501 1 8 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.361 -0.243 18415 5502 1 8 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.533 -1.464 18415 5503 1 8 . 1 1 20 20 ASP H H 20 8.834 8.834 7.869 0.965 18415 5504 1 8 . 1 1 21 21 ASN N N 21 118.648 118.648 121.182 -2.534 18415 5505 1 8 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.585 0.061 18415 5506 1 8 . 1 1 21 21 ASN C C 21 176.542 176.542 174.749 1.793 18415 5507 1 8 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.252 -0.800 18415 5508 1 8 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.396 1.057 18415 5509 1 8 . 1 1 21 21 ASN H H 21 8.113 8.113 8.569 -0.456 18415 5510 1 8 . 1 1 22 22 LYS N N 22 122.470 122.470 124.989 -2.519 18415 5511 1 8 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.808 0.048 18415 5512 1 8 . 1 1 22 22 LYS C C 22 176.711 176.711 176.705 0.006 18415 5513 1 8 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.235 2.430 18415 5514 1 8 . 1 1 22 22 LYS CB C 22 39.539 39.539 35.699 3.840 18415 5515 1 8 . 1 1 22 22 LYS H H 22 8.794 8.794 8.753 0.041 18415 5516 1 8 . 1 1 23 23 THR N N 23 109.009 109.009 114.354 -5.345 18415 5517 1 8 . 1 1 23 23 THR HA H 23 5.647 5.647 4.782 0.865 18415 5518 1 8 . 1 1 23 23 THR C C 23 178.411 178.411 175.664 2.747 18415 5519 1 8 . 1 1 23 23 THR CA C 23 61.773 61.773 60.782 0.991 18415 5520 1 8 . 1 1 23 23 THR CB C 23 71.820 71.820 69.960 1.859 18415 5521 1 8 . 1 1 23 23 THR H H 23 8.250 8.250 9.057 -0.807 18415 5522 1 8 . 1 1 24 24 TRP N N 24 126.345 126.345 124.307 2.038 18415 5523 1 8 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.501 -0.471 18415 5524 1 8 . 1 1 24 24 TRP C C 24 178.204 178.204 176.907 1.297 18415 5525 1 8 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.663 1.918 18415 5526 1 8 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.194 1.460 18415 5527 1 8 . 1 1 24 24 TRP H H 24 8.279 8.279 8.341 -0.062 18415 5528 1 8 . 1 1 25 25 ALA N N 25 119.965 119.965 120.126 -0.161 18415 5529 1 8 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.922 0.026 18415 5530 1 8 . 1 1 25 25 ALA C C 25 182.089 182.089 179.624 2.465 18415 5531 1 8 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.036 0.854 18415 5532 1 8 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.070 0.185 18415 5533 1 8 . 1 1 25 25 ALA H H 25 9.634 9.634 8.275 1.359 18415 5534 1 8 . 1 1 26 26 GLU N N 26 116.492 116.492 118.140 -1.648 18415 5535 1 8 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.886 0.177 18415 5536 1 8 . 1 1 26 26 GLU C C 26 179.756 179.756 178.888 0.868 18415 5537 1 8 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.079 -0.784 18415 5538 1 8 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.331 1.151 18415 5539 1 8 . 1 1 26 26 GLU H H 26 7.392 7.392 7.641 -0.249 18415 5540 1 8 . 1 1 27 27 SER N N 27 121.197 121.197 115.830 5.367 18415 5541 1 8 . 1 1 27 27 SER HA H 27 3.855 3.855 3.997 -0.142 18415 5542 1 8 . 1 1 27 27 SER C C 27 174.299 174.299 176.251 -1.952 18415 5543 1 8 . 1 1 27 27 SER CA C 27 63.344 63.344 62.100 1.244 18415 5544 1 8 . 1 1 27 27 SER CB C 27 62.329 62.329 62.843 -0.514 18415 5545 1 8 . 1 1 27 27 SER H H 27 8.596 8.596 8.425 0.171 18415 5546 1 8 . 1 1 28 28 GLU N N 28 124.173 124.173 119.997 4.176 18415 5547 1 8 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.934 0.334 18415 5548 1 8 . 1 1 28 28 GLU C C 28 178.856 178.856 178.585 0.271 18415 5549 1 8 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.800 0.399 18415 5550 1 8 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.933 -2.033 18415 5551 1 8 . 1 1 28 28 GLU H H 28 8.133 8.133 7.375 0.758 18415 5552 1 8 . 1 1 29 29 ARG N N 29 120.498 120.498 117.479 3.019 18415 5553 1 8 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.200 -0.157 18415 5554 1 8 . 1 1 29 29 ARG C C 29 179.339 179.339 177.684 1.655 18415 5555 1 8 . 1 1 29 29 ARG CA C 29 59.691 59.691 57.574 2.117 18415 5556 1 8 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.016 0.219 18415 5557 1 8 . 1 1 29 29 ARG H H 29 7.962 7.962 7.558 0.404 18415 5558 1 8 . 1 1 30 30 ASN N N 30 119.000 119.000 116.837 2.163 18415 5559 1 8 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.706 -0.259 18415 5560 1 8 . 1 1 30 30 ASN C C 30 178.153 178.153 175.852 2.301 18415 5561 1 8 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.946 2.704 18415 5562 1 8 . 1 1 30 30 ASN CB C 30 40.436 40.436 40.312 0.124 18415 5563 1 8 . 1 1 30 30 ASN H H 30 7.960 7.960 8.120 -0.160 18415 5564 1 8 . 1 1 31 31 CYS N N 31 116.301 116.301 116.603 -0.302 18415 5565 1 8 . 1 1 31 31 CYS HA H 31 4.481 4.481 5.003 -0.522 18415 5566 1 8 . 1 1 31 31 CYS C C 31 178.072 178.072 176.507 1.565 18415 5567 1 8 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.505 -3.095 18415 5568 1 8 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.801 5.908 18415 5569 1 8 . 1 1 31 31 CYS H H 31 8.477 8.477 8.060 0.417 18415 5570 1 8 . 1 1 32 32 SER N N 32 119.834 119.834 114.644 5.190 18415 5571 1 8 . 1 1 32 32 SER HA H 32 4.700 4.700 4.210 0.490 18415 5572 1 8 . 1 1 32 32 SER C C 32 179.062 179.062 175.351 3.711 18415 5573 1 8 . 1 1 32 32 SER CA C 32 61.663 61.663 61.084 0.579 18415 5574 1 8 . 1 1 32 32 SER CB C 32 62.655 62.655 62.116 0.539 18415 5575 1 8 . 1 1 32 32 SER H H 32 9.206 9.206 9.213 -0.007 18415 5576 1 8 . 1 1 33 33 GLY N N 33 111.632 111.632 109.792 1.840 18415 5577 1 8 . 1 1 33 33 GLY C C 33 174.861 174.861 175.367 -0.506 18415 5578 1 8 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.485 -0.818 18415 5579 1 8 . 1 1 33 33 GLY H H 33 8.053 8.053 8.129 -0.076 18415 5580 1 8 . 1 1 34 34 MET N N 34 116.998 116.998 118.063 -1.065 18415 5581 1 8 . 1 1 34 34 MET HA H 34 4.596 4.596 4.721 -0.125 18415 5582 1 8 . 1 1 34 34 MET C C 34 175.356 175.356 176.010 -0.654 18415 5583 1 8 . 1 1 34 34 MET CA C 34 54.887 54.887 53.936 0.951 18415 5584 1 8 . 1 1 34 34 MET CB C 34 33.959 33.959 31.938 2.022 18415 5585 1 8 . 1 1 34 34 MET H H 34 7.441 7.441 7.762 -0.321 18415 5586 1 8 . 1 1 35 35 GLY N N 35 106.474 106.474 108.510 -2.036 18415 5587 1 8 . 1 1 35 35 GLY C C 35 173.112 173.112 173.152 -0.040 18415 5588 1 8 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.331 0.070 18415 5589 1 8 . 1 1 35 35 GLY H H 35 7.807 7.807 7.689 0.118 18415 5590 1 8 . 1 1 36 36 ALA N N 36 121.833 121.833 122.580 -0.747 18415 5591 1 8 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.621 0.081 18415 5592 1 8 . 1 1 36 36 ALA C C 36 174.285 174.285 175.790 -1.505 18415 5593 1 8 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.026 -1.305 18415 5594 1 8 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.062 3.600 18415 5595 1 8 . 1 1 36 36 ALA H H 36 7.693 7.693 7.729 -0.036 18415 5596 1 8 . 1 1 37 37 HIS N N 37 111.683 111.683 122.119 -10.436 18415 5597 1 8 . 1 1 37 37 HIS HA H 37 5.131 5.131 4.983 0.148 18415 5598 1 8 . 1 1 37 37 HIS C C 37 175.351 175.351 175.084 0.267 18415 5599 1 8 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.412 0.161 18415 5600 1 8 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.855 1.116 18415 5601 1 8 . 1 1 37 37 HIS H H 37 8.078 8.078 9.118 -1.040 18415 5602 1 8 . 1 1 38 38 LEU N N 38 123.260 123.260 123.478 -0.218 18415 5603 1 8 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.031 0.742 18415 5604 1 8 . 1 1 38 38 LEU C C 38 179.180 179.180 176.981 2.199 18415 5605 1 8 . 1 1 38 38 LEU CA C 38 56.366 56.366 56.202 0.164 18415 5606 1 8 . 1 1 38 38 LEU CB C 38 43.656 43.656 41.569 2.087 18415 5607 1 8 . 1 1 38 38 LEU H H 38 9.964 9.964 8.109 1.855 18415 5608 1 8 . 1 1 39 39 MET N N 39 119.511 119.511 125.444 -5.933 18415 5609 1 8 . 1 1 39 39 MET HA H 39 3.855 3.855 4.434 -0.579 18415 5610 1 8 . 1 1 39 39 MET C C 39 174.874 174.874 175.196 -0.322 18415 5611 1 8 . 1 1 39 39 MET CA C 39 58.789 58.789 54.889 3.900 18415 5612 1 8 . 1 1 39 39 MET CB C 39 34.405 34.405 31.062 3.343 18415 5613 1 8 . 1 1 39 39 MET H H 39 8.409 8.409 8.384 0.025 18415 5614 1 8 . 1 1 40 40 THR N N 40 123.771 123.771 121.880 1.891 18415 5615 1 8 . 1 1 40 40 THR HA H 40 4.013 4.013 5.017 -1.004 18415 5616 1 8 . 1 1 40 40 THR C C 40 172.936 172.936 173.814 -0.878 18415 5617 1 8 . 1 1 40 40 THR CA C 40 59.869 59.869 60.410 -0.541 18415 5618 1 8 . 1 1 40 40 THR CB C 40 70.587 70.587 69.760 0.827 18415 5619 1 8 . 1 1 40 40 THR H H 40 6.822 6.822 8.316 -1.494 18415 5620 1 8 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.247 0.002 18415 5621 1 8 . 1 1 41 41 ILE C C 41 174.349 174.349 176.228 -1.879 18415 5622 1 8 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.185 -2.429 18415 5623 1 8 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.589 1.982 18415 5624 1 8 . 1 1 42 42 SER N N 42 122.113 122.113 123.213 -1.100 18415 5625 1 8 . 1 1 42 42 SER HA H 42 4.647 4.647 4.697 -0.050 18415 5626 1 8 . 1 1 42 42 SER C C 42 174.502 174.502 174.632 -0.130 18415 5627 1 8 . 1 1 42 42 SER CA C 42 59.768 59.768 59.778 -0.010 18415 5628 1 8 . 1 1 42 42 SER CB C 42 64.720 64.720 64.956 -0.236 18415 5629 1 8 . 1 1 42 42 SER H H 42 9.230 9.230 9.906 -0.676 18415 5630 1 8 . 1 1 43 43 THR N N 43 108.516 108.516 112.115 -3.599 18415 5631 1 8 . 1 1 43 43 THR HA H 43 4.807 4.807 4.873 -0.066 18415 5632 1 8 . 1 1 43 43 THR C C 43 173.812 173.812 174.425 -0.613 18415 5633 1 8 . 1 1 43 43 THR CA C 43 59.249 59.249 59.768 -0.519 18415 5634 1 8 . 1 1 43 43 THR CB C 43 73.128 73.128 72.040 1.088 18415 5635 1 8 . 1 1 43 43 THR H H 43 7.559 7.559 7.607 -0.048 18415 5636 1 8 . 1 1 44 44 GLU N N 44 123.057 123.057 121.751 1.306 18415 5637 1 8 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.072 -0.623 18415 5638 1 8 . 1 1 44 44 GLU C C 44 178.262 178.262 178.686 -0.424 18415 5639 1 8 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.786 -0.457 18415 5640 1 8 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.293 0.149 18415 5641 1 8 . 1 1 44 44 GLU H H 44 9.377 9.377 9.122 0.255 18415 5642 1 8 . 1 1 45 45 ALA N N 45 119.910 119.910 122.167 -2.257 18415 5643 1 8 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.241 -0.191 18415 5644 1 8 . 1 1 45 45 ALA C C 45 180.096 180.096 179.443 0.653 18415 5645 1 8 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.103 0.077 18415 5646 1 8 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.270 -0.003 18415 5647 1 8 . 1 1 45 45 ALA H H 45 8.328 8.328 8.387 -0.059 18415 5648 1 8 . 1 1 46 46 GLU N N 46 118.861 118.861 119.281 -0.420 18415 5649 1 8 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.346 0.266 18415 5650 1 8 . 1 1 46 46 GLU C C 46 177.452 177.452 178.402 -0.950 18415 5651 1 8 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.538 -0.255 18415 5652 1 8 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.502 1.011 18415 5653 1 8 . 1 1 46 46 GLU H H 46 7.852 7.852 7.934 -0.081 18415 5654 1 8 . 1 1 47 47 GLN N N 47 119.473 119.473 119.253 0.220 18415 5655 1 8 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.851 -0.164 18415 5656 1 8 . 1 1 47 47 GLN C C 47 176.429 176.429 178.210 -1.781 18415 5657 1 8 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.796 1.112 18415 5658 1 8 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.099 1.877 18415 5659 1 8 . 1 1 47 47 GLN H H 47 7.054 7.054 8.069 -1.015 18415 5660 1 8 . 1 1 48 48 ASN N N 48 115.182 115.182 117.270 -2.088 18415 5661 1 8 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.259 -0.046 18415 5662 1 8 . 1 1 48 48 ASN C C 48 176.986 176.986 177.511 -0.525 18415 5663 1 8 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.199 -1.170 18415 5664 1 8 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.537 -0.979 18415 5665 1 8 . 1 1 48 48 ASN H H 48 8.416 8.416 7.762 0.654 18415 5666 1 8 . 1 1 49 49 PHE N N 49 118.413 118.413 117.857 0.556 18415 5667 1 8 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.069 -0.090 18415 5668 1 8 . 1 1 49 49 PHE C C 49 177.254 177.254 178.062 -0.808 18415 5669 1 8 . 1 1 49 49 PHE CA C 49 60.162 60.162 61.239 -1.077 18415 5670 1 8 . 1 1 49 49 PHE CB C 49 38.083 38.083 38.946 -0.863 18415 5671 1 8 . 1 1 49 49 PHE H H 49 7.473 7.473 8.324 -0.851 18415 5672 1 8 . 1 1 50 50 ILE N N 50 117.601 117.601 121.651 -4.050 18415 5673 1 8 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.886 -0.345 18415 5674 1 8 . 1 1 50 50 ILE C C 50 176.891 176.891 176.686 0.205 18415 5675 1 8 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.772 -3.120 18415 5676 1 8 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.883 1.326 18415 5677 1 8 . 1 1 50 50 ILE H H 50 7.020 7.020 8.315 -1.295 18415 5678 1 8 . 1 1 51 51 ILE N N 51 114.824 114.824 114.971 -0.147 18415 5679 1 8 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.001 -0.108 18415 5680 1 8 . 1 1 51 51 ILE C C 51 177.092 177.092 176.458 0.634 18415 5681 1 8 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.624 1.580 18415 5682 1 8 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.281 0.639 18415 5683 1 8 . 1 1 51 51 ILE H H 51 7.216 7.216 7.258 -0.042 18415 5684 1 8 . 1 1 52 52 GLN N N 52 116.767 116.767 117.646 -0.879 18415 5685 1 8 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.923 -0.153 18415 5686 1 8 . 1 1 52 52 GLN C C 52 176.442 176.442 176.653 -0.211 18415 5687 1 8 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.290 -0.020 18415 5688 1 8 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.910 0.110 18415 5689 1 8 . 1 1 52 52 GLN H H 52 6.416 6.416 7.077 -0.661 18415 5690 1 8 . 1 1 53 53 PHE N N 53 115.400 115.400 116.466 -1.066 18415 5691 1 8 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.376 0.201 18415 5692 1 8 . 1 1 53 53 PHE C C 53 174.993 174.993 175.914 -0.921 18415 5693 1 8 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.758 -1.863 18415 5694 1 8 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.926 -0.393 18415 5695 1 8 . 1 1 53 53 PHE H H 53 7.216 7.216 7.197 0.019 18415 5696 1 8 . 1 1 54 54 LEU N N 54 118.096 118.096 119.563 -1.467 18415 5697 1 8 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.910 0.181 18415 5698 1 8 . 1 1 54 54 LEU C C 54 175.467 175.467 176.372 -0.905 18415 5699 1 8 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.033 -0.462 18415 5700 1 8 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.623 0.084 18415 5701 1 8 . 1 1 54 54 LEU H H 54 6.668 6.668 7.244 -0.576 18415 5702 1 8 . 1 1 55 55 ASP N N 55 123.723 123.723 122.786 0.937 18415 5703 1 8 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.597 0.218 18415 5704 1 8 . 1 1 55 55 ASP C C 55 177.896 177.896 176.743 1.153 18415 5705 1 8 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.511 -1.413 18415 5706 1 8 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.042 0.620 18415 5707 1 8 . 1 1 55 55 ASP H H 55 8.687 8.687 8.450 0.237 18415 5708 1 8 . 1 1 56 56 ARG N N 56 124.370 124.370 126.852 -2.482 18415 5709 1 8 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.064 0.246 18415 5710 1 8 . 1 1 56 56 ARG C C 56 178.201 178.201 175.462 2.739 18415 5711 1 8 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.112 1.846 18415 5712 1 8 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.043 2.535 18415 5713 1 8 . 1 1 56 56 ARG H H 56 8.758 8.758 8.868 -0.110 18415 5714 1 8 . 1 1 57 57 ARG N N 57 120.411 120.411 118.719 1.692 18415 5715 1 8 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.353 -0.059 18415 5716 1 8 . 1 1 57 57 ARG C C 57 177.064 177.064 174.777 2.287 18415 5717 1 8 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.416 1.116 18415 5718 1 8 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.065 -1.373 18415 5719 1 8 . 1 1 57 57 ARG H H 57 9.150 9.150 8.637 0.513 18415 5720 1 8 . 1 1 58 58 LEU N N 58 119.445 119.445 121.438 -1.993 18415 5721 1 8 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.530 0.174 18415 5722 1 8 . 1 1 58 58 LEU C C 58 176.450 176.450 176.035 0.415 18415 5723 1 8 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.465 0.814 18415 5724 1 8 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.490 -0.232 18415 5725 1 8 . 1 1 58 58 LEU H H 58 8.328 8.328 7.777 0.551 18415 5726 1 8 . 1 1 59 59 SER N N 59 116.536 116.536 113.169 3.367 18415 5727 1 8 . 1 1 59 59 SER HA H 59 5.505 5.505 5.286 0.219 18415 5728 1 8 . 1 1 59 59 SER C C 59 173.263 173.263 173.254 0.009 18415 5729 1 8 . 1 1 59 59 SER CA C 59 57.199 57.199 56.699 0.500 18415 5730 1 8 . 1 1 59 59 SER CB C 59 65.064 65.064 65.388 -0.324 18415 5731 1 8 . 1 1 59 59 SER H H 59 8.470 8.470 8.285 0.185 18415 5732 1 8 . 1 1 60 60 TYR N N 60 120.274 120.274 121.919 -1.645 18415 5733 1 8 . 1 1 60 60 TYR HA H 60 4.277 4.277 5.087 -0.810 18415 5734 1 8 . 1 1 60 60 TYR C C 60 175.560 175.560 175.855 -0.295 18415 5735 1 8 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.343 0.129 18415 5736 1 8 . 1 1 60 60 TYR CB C 60 41.507 41.507 40.101 1.406 18415 5737 1 8 . 1 1 60 60 TYR H H 60 8.897 8.897 9.135 -0.238 18415 5738 1 8 . 1 1 61 61 PHE N N 61 123.635 123.635 121.830 1.805 18415 5739 1 8 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.598 0.690 18415 5740 1 8 . 1 1 61 61 PHE C C 61 175.433 175.433 175.642 -0.209 18415 5741 1 8 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.990 0.085 18415 5742 1 8 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.519 1.350 18415 5743 1 8 . 1 1 61 61 PHE H H 61 9.521 9.521 8.779 0.742 18415 5744 1 8 . 1 1 62 62 LEU N N 62 114.382 114.382 119.516 -5.134 18415 5745 1 8 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.019 0.054 18415 5746 1 8 . 1 1 62 62 LEU C C 62 179.521 179.521 178.042 1.479 18415 5747 1 8 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.054 -1.271 18415 5748 1 8 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.563 1.712 18415 5749 1 8 . 1 1 62 62 LEU H H 62 8.394 8.394 8.223 0.171 18415 5750 1 8 . 1 1 63 63 GLY N N 63 106.675 106.675 107.807 -1.132 18415 5751 1 8 . 1 1 63 63 GLY C C 63 172.404 172.404 173.292 -0.888 18415 5752 1 8 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.011 2.382 18415 5753 1 8 . 1 1 63 63 GLY H H 63 9.253 9.253 8.492 0.761 18415 5754 1 8 . 1 1 64 64 LEU N N 64 124.754 124.754 114.253 10.501 18415 5755 1 8 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.976 -0.392 18415 5756 1 8 . 1 1 64 64 LEU CA C 64 54.302 54.302 52.703 1.599 18415 5757 1 8 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.899 0.373 18415 5758 1 8 . 1 1 64 64 LEU H H 64 6.840 6.840 7.045 -0.205 18415 5759 1 8 . 1 1 65 65 ARG N N 65 124.476 124.476 121.906 2.570 18415 5760 1 8 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.454 0.706 18415 5761 1 8 . 1 1 65 65 ARG C C 65 174.245 174.245 173.777 0.468 18415 5762 1 8 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.936 -0.032 18415 5763 1 8 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.859 0.672 18415 5764 1 8 . 1 1 65 65 ARG H H 65 8.218 8.218 8.749 -0.531 18415 5765 1 8 . 1 1 66 66 ASP N N 66 126.754 126.754 124.927 1.827 18415 5766 1 8 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.663 -0.234 18415 5767 1 8 . 1 1 66 66 ASP C C 66 176.516 176.516 175.301 1.215 18415 5768 1 8 . 1 1 66 66 ASP CA C 66 51.854 51.854 51.874 -0.020 18415 5769 1 8 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.781 -4.013 18415 5770 1 8 . 1 1 66 66 ASP H H 66 8.756 8.756 8.561 0.195 18415 5771 1 8 . 1 1 67 67 GLU N N 67 123.390 123.390 119.546 3.844 18415 5772 1 8 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.321 -0.545 18415 5773 1 8 . 1 1 67 67 GLU C C 67 175.648 175.648 174.876 0.772 18415 5774 1 8 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.129 2.719 18415 5775 1 8 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.936 -0.620 18415 5776 1 8 . 1 1 67 67 GLU H H 67 8.488 8.488 8.529 -0.041 18415 5777 1 8 . 1 1 68 68 ASN N N 68 114.882 114.882 118.643 -3.761 18415 5778 1 8 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.665 -0.001 18415 5779 1 8 . 1 1 68 68 ASN C C 68 174.482 174.482 174.083 0.399 18415 5780 1 8 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.300 -0.386 18415 5781 1 8 . 1 1 68 68 ASN CB C 68 39.412 39.412 40.090 -0.678 18415 5782 1 8 . 1 1 68 68 ASN H H 68 8.336 8.336 8.214 0.122 18415 5783 1 8 . 1 1 69 69 ALA N N 69 118.915 118.915 121.201 -2.286 18415 5784 1 8 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.856 0.018 18415 5785 1 8 . 1 1 69 69 ALA C C 69 177.082 177.082 176.540 0.542 18415 5786 1 8 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.287 0.345 18415 5787 1 8 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.575 0.596 18415 5788 1 8 . 1 1 69 69 ALA H H 69 7.444 7.444 8.204 -0.760 18415 5789 1 8 . 1 1 70 70 LYS N N 70 117.439 117.439 119.168 -1.729 18415 5790 1 8 . 1 1 70 70 LYS HA H 70 4.318 4.318 3.935 0.383 18415 5791 1 8 . 1 1 70 70 LYS C C 70 177.726 177.726 178.271 -0.545 18415 5792 1 8 . 1 1 70 70 LYS CA C 70 55.423 55.423 57.561 -2.138 18415 5793 1 8 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.783 -0.047 18415 5794 1 8 . 1 1 70 70 LYS H H 70 7.925 7.925 8.748 -0.823 18415 5795 1 8 . 1 1 71 71 GLY C C 71 175.127 175.127 173.532 1.595 18415 5796 1 8 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.323 0.351 18415 5797 1 8 . 1 1 72 72 GLN N N 72 124.084 124.084 121.142 2.942 18415 5798 1 8 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.364 0.027 18415 5799 1 8 . 1 1 72 72 GLN C C 72 174.283 174.283 174.669 -0.386 18415 5800 1 8 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.273 -1.116 18415 5801 1 8 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.480 -0.847 18415 5802 1 8 . 1 1 72 72 GLN H H 72 7.749 7.749 7.939 -0.190 18415 5803 1 8 . 1 1 73 73 TRP N N 73 121.803 121.803 125.052 -3.249 18415 5804 1 8 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.312 -0.407 18415 5805 1 8 . 1 1 73 73 TRP C C 73 175.776 175.776 176.280 -0.504 18415 5806 1 8 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.977 -1.157 18415 5807 1 8 . 1 1 73 73 TRP CB C 73 28.876 28.876 30.162 -1.286 18415 5808 1 8 . 1 1 73 73 TRP H H 73 6.599 6.599 8.202 -1.603 18415 5809 1 8 . 1 1 74 74 ARG N N 74 119.549 119.549 121.819 -2.270 18415 5810 1 8 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.937 -0.231 18415 5811 1 8 . 1 1 74 74 ARG C C 74 176.980 176.980 175.207 1.773 18415 5812 1 8 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.232 -0.899 18415 5813 1 8 . 1 1 74 74 ARG CB C 74 34.623 34.623 33.041 1.582 18415 5814 1 8 . 1 1 74 74 ARG H H 74 8.443 8.443 8.217 0.226 18415 5815 1 8 . 1 1 75 75 TRP N N 75 125.690 125.690 127.040 -1.350 18415 5816 1 8 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.372 0.055 18415 5817 1 8 . 1 1 75 75 TRP C C 75 180.474 180.474 177.804 2.670 18415 5818 1 8 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.252 -1.486 18415 5819 1 8 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.123 0.907 18415 5820 1 8 . 1 1 75 75 TRP H H 75 9.052 9.052 9.136 -0.084 18415 5821 1 8 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.079 0.199 18415 5822 1 8 . 1 1 76 76 VAL C C 76 175.431 175.431 176.068 -0.637 18415 5823 1 8 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.160 0.404 18415 5824 1 8 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.316 0.052 18415 5825 1 8 . 1 1 77 77 ASP N N 77 119.941 119.941 119.680 0.261 18415 5826 1 8 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.837 -0.859 18415 5827 1 8 . 1 1 77 77 ASP C C 77 176.293 176.293 176.029 0.264 18415 5828 1 8 . 1 1 77 77 ASP CA C 77 52.759 52.759 54.629 -1.870 18415 5829 1 8 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.715 -0.305 18415 5830 1 8 . 1 1 77 77 ASP H H 77 8.004 8.004 8.705 -0.701 18415 5831 1 8 . 1 1 78 78 GLN N N 78 109.962 109.962 114.988 -5.026 18415 5832 1 8 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.012 0.113 18415 5833 1 8 . 1 1 78 78 GLN C C 78 176.387 176.387 174.510 1.877 18415 5834 1 8 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.288 -0.497 18415 5835 1 8 . 1 1 78 78 GLN CB C 78 26.101 26.101 26.474 -0.373 18415 5836 1 8 . 1 1 78 78 GLN H H 78 8.124 8.124 7.728 0.396 18415 5837 1 8 . 1 1 79 79 THR N N 79 121.656 121.656 117.884 3.772 18415 5838 1 8 . 1 1 79 79 THR HA H 79 4.250 4.250 4.257 -0.007 18415 5839 1 8 . 1 1 79 79 THR C C 79 172.901 172.901 172.888 0.013 18415 5840 1 8 . 1 1 79 79 THR CA C 79 63.165 63.165 62.981 0.184 18415 5841 1 8 . 1 1 79 79 THR CB C 79 69.427 69.427 68.541 0.886 18415 5842 1 8 . 1 1 79 79 THR H H 79 8.172 8.172 8.039 0.133 18415 5843 1 8 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.654 -0.132 18415 5844 1 8 . 1 1 80 80 PRO C C 80 176.940 176.940 176.299 0.641 18415 5845 1 8 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.738 0.950 18415 5846 1 8 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.501 -0.314 18415 5847 1 8 . 1 1 81 81 PHE N N 81 125.403 125.403 122.186 3.217 18415 5848 1 8 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.895 0.014 18415 5849 1 8 . 1 1 81 81 PHE C C 81 174.853 174.853 174.993 -0.140 18415 5850 1 8 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.690 -0.337 18415 5851 1 8 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.784 0.235 18415 5852 1 8 . 1 1 81 81 PHE H H 81 9.015 9.015 8.574 0.441 18415 5853 1 8 . 1 1 82 82 ASN N N 82 129.264 129.264 127.680 1.584 18415 5854 1 8 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.850 0.205 18415 5855 1 8 . 1 1 82 82 ASN C C 82 173.643 173.643 174.089 -0.446 18415 5856 1 8 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.586 -1.783 18415 5857 1 8 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.191 0.304 18415 5858 1 8 . 1 1 82 82 ASN H H 82 8.985 8.985 8.538 0.447 18415 5859 1 8 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.086 -0.083 18415 5860 1 8 . 1 1 83 83 PRO C C 83 177.123 177.123 177.192 -0.069 18415 5861 1 8 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.581 -0.796 18415 5862 1 8 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.908 0.606 18415 5863 1 8 . 1 1 84 84 ARG N N 84 114.801 114.801 116.142 -1.341 18415 5864 1 8 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.306 0.017 18415 5865 1 8 . 1 1 84 84 ARG C C 84 176.890 176.890 176.297 0.593 18415 5866 1 8 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.051 -0.048 18415 5867 1 8 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.344 -0.186 18415 5868 1 8 . 1 1 84 84 ARG H H 84 7.697 7.697 7.938 -0.241 18415 5869 1 8 . 1 1 85 85 ARG N N 85 123.958 123.958 118.651 5.307 18415 5870 1 8 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.157 0.148 18415 5871 1 8 . 1 1 85 85 ARG C C 85 173.017 173.017 174.213 -1.196 18415 5872 1 8 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.849 -1.040 18415 5873 1 8 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.486 -0.446 18415 5874 1 8 . 1 1 85 85 ARG H H 85 7.596 7.596 7.241 0.355 18415 5875 1 8 . 1 1 86 86 VAL N N 86 110.039 110.039 119.229 -9.190 18415 5876 1 8 . 1 1 86 86 VAL HA H 86 3.799 3.799 2.843 0.956 18415 5877 1 8 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.538 -2.272 18415 5878 1 8 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.392 1.834 18415 5879 1 8 . 1 1 86 86 VAL H H 86 6.570 6.570 6.935 -0.365 18415 5880 1 8 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.477 -0.155 18415 5881 1 8 . 1 1 87 87 PHE C C 87 173.471 173.471 174.361 -0.890 18415 5882 1 8 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.121 0.256 18415 5883 1 8 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.616 -1.232 18415 5884 1 8 . 1 1 88 88 TRP N N 88 118.538 118.538 122.301 -3.763 18415 5885 1 8 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.631 0.171 18415 5886 1 8 . 1 1 88 88 TRP C C 88 179.297 179.297 176.931 2.366 18415 5887 1 8 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.978 -0.741 18415 5888 1 8 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.101 1.449 18415 5889 1 8 . 1 1 88 88 TRP H H 88 6.633 6.633 7.971 -1.338 18415 5890 1 8 . 1 1 89 89 HIS N N 89 122.693 122.693 119.716 2.977 18415 5891 1 8 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.377 -0.006 18415 5892 1 8 . 1 1 89 89 HIS C C 89 175.621 175.621 176.254 -0.633 18415 5893 1 8 . 1 1 89 89 HIS CA C 89 58.121 58.121 60.201 -2.080 18415 5894 1 8 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.131 1.581 18415 5895 1 8 . 1 1 89 89 HIS H H 89 9.473 9.473 8.618 0.855 18415 5896 1 8 . 1 1 90 90 LYS N N 90 120.826 120.826 116.789 4.037 18415 5897 1 8 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.420 -0.309 18415 5898 1 8 . 1 1 90 90 LYS C C 90 177.228 177.228 175.861 1.367 18415 5899 1 8 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.313 0.929 18415 5900 1 8 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.668 -1.186 18415 5901 1 8 . 1 1 90 90 LYS H H 90 8.741 8.741 7.981 0.760 18415 5902 1 8 . 1 1 91 91 ASN N N 91 117.166 117.166 118.466 -1.300 18415 5903 1 8 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.804 -0.488 18415 5904 1 8 . 1 1 91 91 ASN C C 91 173.391 173.391 174.173 -0.782 18415 5905 1 8 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.439 1.896 18415 5906 1 8 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.330 -1.945 18415 5907 1 8 . 1 1 91 91 ASN H H 91 8.906 8.906 8.485 0.421 18415 5908 1 8 . 1 1 92 92 GLU N N 92 116.991 116.991 121.841 -4.850 18415 5909 1 8 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.410 -0.123 18415 5910 1 8 . 1 1 92 92 GLU C C 92 173.188 173.188 175.015 -1.827 18415 5911 1 8 . 1 1 92 92 GLU CA C 92 53.271 53.271 55.498 -2.227 18415 5912 1 8 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.778 0.676 18415 5913 1 8 . 1 1 92 92 GLU H H 92 7.738 7.738 8.372 -0.634 18415 5914 1 8 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.841 -0.197 18415 5915 1 8 . 1 1 95 95 ASN C C 95 175.699 175.699 173.385 2.314 18415 5916 1 8 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.671 -0.212 18415 5917 1 8 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.200 -0.475 18415 5918 1 8 . 1 1 96 96 SER N N 96 116.489 116.489 116.020 0.469 18415 5919 1 8 . 1 1 96 96 SER HA H 96 4.405 4.405 4.645 -0.240 18415 5920 1 8 . 1 1 96 96 SER C C 96 174.831 174.831 173.133 1.698 18415 5921 1 8 . 1 1 96 96 SER CA C 96 58.753 58.753 58.144 0.609 18415 5922 1 8 . 1 1 96 96 SER CB C 96 64.216 64.216 64.862 -0.646 18415 5923 1 8 . 1 1 96 96 SER H H 96 8.118 8.118 8.420 -0.302 18415 5924 1 8 . 1 1 97 97 GLN N N 97 121.023 121.023 121.202 -0.179 18415 5925 1 8 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.740 -0.488 18415 5926 1 8 . 1 1 97 97 GLN C C 97 176.063 176.063 175.643 0.420 18415 5927 1 8 . 1 1 97 97 GLN CA C 97 55.957 55.957 54.453 1.504 18415 5928 1 8 . 1 1 97 97 GLN CB C 97 29.528 29.528 30.526 -0.998 18415 5929 1 8 . 1 1 97 97 GLN H H 97 8.371 8.371 9.020 -0.649 18415 5930 1 8 . 1 1 98 98 GLY N N 98 110.498 110.498 108.695 1.803 18415 5931 1 8 . 1 1 98 98 GLY C C 98 172.460 172.460 172.748 -0.288 18415 5932 1 8 . 1 1 98 98 GLY CA C 98 44.936 44.936 46.278 -1.341 18415 5933 1 8 . 1 1 98 98 GLY H H 98 8.080 8.080 7.960 0.120 18415 5934 1 8 . 1 1 99 99 GLU N N 99 119.919 119.919 123.627 -3.708 18415 5935 1 8 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.428 -0.157 18415 5936 1 8 . 1 1 99 99 GLU C C 99 176.605 176.605 175.174 1.431 18415 5937 1 8 . 1 1 99 99 GLU CA C 99 56.508 56.508 54.734 1.774 18415 5938 1 8 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.641 1.828 18415 5939 1 8 . 1 1 99 99 GLU H H 99 8.004 8.004 8.280 -0.276 18415 5940 1 8 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.217 0.063 18415 5941 1 8 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.686 0.695 18415 5942 1 8 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.785 1.132 18415 5943 1 8 . 1 1 101 101 CYS N N 101 121.118 121.118 124.643 -3.525 18415 5944 1 8 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.056 0.434 18415 5945 1 8 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.345 0.993 18415 5946 1 8 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.549 13.229 18415 5947 1 8 . 1 1 101 101 CYS H H 101 9.707 9.707 9.366 0.341 18415 5948 1 8 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.423 -0.237 18415 5949 1 8 . 1 1 102 102 VAL C C 102 175.530 175.530 174.540 0.990 18415 5950 1 8 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.710 2.323 18415 5951 1 8 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.061 2.093 18415 5952 1 8 . 1 1 103 103 VAL N N 103 115.890 115.890 118.152 -2.262 18415 5953 1 8 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.842 0.506 18415 5954 1 8 . 1 1 103 103 VAL C C 103 175.136 175.136 174.921 0.215 18415 5955 1 8 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.273 -1.536 18415 5956 1 8 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.158 -0.024 18415 5957 1 8 . 1 1 103 103 VAL H H 103 8.698 8.698 8.654 0.044 18415 5958 1 8 . 1 1 104 104 LEU N N 104 124.477 124.477 123.830 0.647 18415 5959 1 8 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.119 -0.143 18415 5960 1 8 . 1 1 104 104 LEU C C 104 176.248 176.248 176.607 -0.359 18415 5961 1 8 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.833 0.161 18415 5962 1 8 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.481 3.361 18415 5963 1 8 . 1 1 104 104 LEU H H 104 9.453 9.453 9.091 0.362 18415 5964 1 8 . 1 1 105 105 VAL N N 105 123.109 123.109 124.905 -1.796 18415 5965 1 8 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.548 0.467 18415 5966 1 8 . 1 1 105 105 VAL C C 105 173.635 173.635 173.904 -0.269 18415 5967 1 8 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.366 1.867 18415 5968 1 8 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.557 1.077 18415 5969 1 8 . 1 1 105 105 VAL H H 105 9.477 9.477 9.184 0.293 18415 5970 1 8 . 1 1 106 106 TYR N N 106 136.491 136.491 128.978 7.513 18415 5971 1 8 . 1 1 106 106 TYR HA H 106 4.465 4.465 3.905 0.560 18415 5972 1 8 . 1 1 106 106 TYR C C 106 175.009 175.009 173.593 1.416 18415 5973 1 8 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.543 -0.494 18415 5974 1 8 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.919 0.032 18415 5975 1 8 . 1 1 106 106 TYR H H 106 9.509 9.509 7.808 1.701 18415 5976 1 8 . 1 1 107 107 ASN N N 107 124.433 124.433 126.336 -1.903 18415 5977 1 8 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.538 0.012 18415 5978 1 8 . 1 1 107 107 ASN C C 107 173.919 173.919 173.838 0.081 18415 5979 1 8 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.174 -0.565 18415 5980 1 8 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.658 0.351 18415 5981 1 8 . 1 1 107 107 ASN H H 107 8.329 8.329 8.052 0.277 18415 5982 1 8 . 1 1 108 108 GLN N N 108 119.681 119.681 121.791 -2.110 18415 5983 1 8 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.981 -0.327 18415 5984 1 8 . 1 1 108 108 GLN C C 108 175.060 175.060 174.907 0.153 18415 5985 1 8 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.037 0.569 18415 5986 1 8 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.812 -1.548 18415 5987 1 8 . 1 1 108 108 GLN H H 108 8.558 8.558 8.796 -0.238 18415 5988 1 8 . 1 1 109 109 ASP N N 109 109.712 109.712 113.295 -3.583 18415 5989 1 8 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.109 -0.132 18415 5990 1 8 . 1 1 109 109 ASP C C 109 174.354 174.354 175.253 -0.899 18415 5991 1 8 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.859 -0.660 18415 5992 1 8 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.620 -0.593 18415 5993 1 8 . 1 1 109 109 ASP H H 109 8.199 8.199 8.190 0.009 18415 5994 1 8 . 1 1 110 110 LYS N N 110 115.590 115.590 117.930 -2.340 18415 5995 1 8 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.561 -0.009 18415 5996 1 8 . 1 1 110 110 LYS C C 110 174.674 174.674 175.889 -1.215 18415 5997 1 8 . 1 1 110 110 LYS CA C 110 55.469 55.469 55.207 0.262 18415 5998 1 8 . 1 1 110 110 LYS CB C 110 35.589 35.589 33.007 2.582 18415 5999 1 8 . 1 1 110 110 LYS H H 110 7.081 7.081 6.990 0.091 18415 6000 1 8 . 1 1 111 111 TRP N N 111 122.248 122.248 125.469 -3.221 18415 6001 1 8 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.446 -0.373 18415 6002 1 8 . 1 1 111 111 TRP C C 111 175.920 175.920 176.865 -0.945 18415 6003 1 8 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.627 -0.438 18415 6004 1 8 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.715 0.153 18415 6005 1 8 . 1 1 111 111 TRP H H 111 8.650 8.650 8.762 -0.112 18415 6006 1 8 . 1 1 112 112 ALA N N 112 124.184 124.184 122.079 2.105 18415 6007 1 8 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.822 -0.654 18415 6008 1 8 . 1 1 112 112 ALA C C 112 174.995 174.995 175.392 -0.397 18415 6009 1 8 . 1 1 112 112 ALA CA C 112 52.315 52.315 52.142 0.173 18415 6010 1 8 . 1 1 112 112 ALA CB C 112 16.882 16.882 20.899 -4.017 18415 6011 1 8 . 1 1 112 112 ALA H H 112 8.790 8.790 8.846 -0.056 18415 6012 1 8 . 1 1 113 113 TRP N N 113 118.725 118.725 119.254 -0.529 18415 6013 1 8 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.506 0.650 18415 6014 1 8 . 1 1 113 113 TRP C C 113 177.471 177.471 176.418 1.053 18415 6015 1 8 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.974 -0.359 18415 6016 1 8 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.626 2.748 18415 6017 1 8 . 1 1 113 113 TRP H H 113 8.969 8.969 9.026 -0.057 18415 6018 1 8 . 1 1 114 114 ASN N N 114 120.479 120.479 118.947 1.532 18415 6019 1 8 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.265 0.225 18415 6020 1 8 . 1 1 114 114 ASN C C 114 174.708 174.708 173.710 0.998 18415 6021 1 8 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.013 -0.255 18415 6022 1 8 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.072 -0.054 18415 6023 1 8 . 1 1 114 114 ASN H H 114 9.518 9.518 8.955 0.563 18415 6024 1 8 . 1 1 115 115 ASP N N 115 118.209 118.209 125.453 -7.244 18415 6025 1 8 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.847 1.024 18415 6026 1 8 . 1 1 115 115 ASP C C 115 174.291 174.291 175.460 -1.169 18415 6027 1 8 . 1 1 115 115 ASP CA C 115 52.187 52.187 55.502 -3.315 18415 6028 1 8 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.410 -0.906 18415 6029 1 8 . 1 1 115 115 ASP H H 115 8.563 8.563 8.794 -0.231 18415 6030 1 8 . 1 1 116 116 VAL N N 116 118.669 118.669 116.850 1.819 18415 6031 1 8 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.905 -0.010 18415 6032 1 8 . 1 1 116 116 VAL C C 116 172.334 172.334 173.329 -0.995 18415 6033 1 8 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.946 0.335 18415 6034 1 8 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.577 -0.244 18415 6035 1 8 . 1 1 116 116 VAL H H 116 9.369 9.369 8.906 0.463 18415 6036 1 8 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.006 -0.072 18415 6037 1 8 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.595 0.481 18415 6038 1 8 . 1 1 117 117 PRO CB C 117 32.359 32.359 32.019 0.340 18415 6039 1 8 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.472 -0.022 18415 6040 1 8 . 1 1 118 118 CYS C C 118 175.583 175.583 175.717 -0.134 18415 6041 1 8 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.705 -1.800 18415 6042 1 8 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.614 17.227 18415 6043 1 8 . 1 1 119 119 ASN N N 119 117.251 117.251 117.240 0.011 18415 6044 1 8 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.754 0.159 18415 6045 1 8 . 1 1 119 119 ASN C C 119 174.849 174.849 173.756 1.093 18415 6046 1 8 . 1 1 119 119 ASN CA C 119 53.142 53.142 52.216 0.926 18415 6047 1 8 . 1 1 119 119 ASN CB C 119 37.076 37.076 37.844 -0.768 18415 6048 1 8 . 1 1 119 119 ASN H H 119 8.411 8.411 8.159 0.252 18415 6049 1 8 . 1 1 120 120 PHE N N 120 123.415 123.415 121.400 2.015 18415 6050 1 8 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.819 -0.273 18415 6051 1 8 . 1 1 120 120 PHE C C 120 173.156 173.156 174.368 -1.212 18415 6052 1 8 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.712 1.648 18415 6053 1 8 . 1 1 120 120 PHE CB C 120 40.449 40.449 42.265 -1.816 18415 6054 1 8 . 1 1 120 120 PHE H H 120 8.097 8.097 7.750 0.347 18415 6055 1 8 . 1 1 121 121 GLU N N 121 119.143 119.143 127.033 -7.890 18415 6056 1 8 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.209 0.344 18415 6057 1 8 . 1 1 121 121 GLU C C 121 174.732 174.732 175.153 -0.421 18415 6058 1 8 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.272 -2.684 18415 6059 1 8 . 1 1 121 121 GLU CB C 121 30.420 30.420 28.405 2.015 18415 6060 1 8 . 1 1 121 121 GLU H H 121 7.012 7.012 8.523 -1.511 18415 6061 1 8 . 1 1 122 122 ALA N N 122 125.793 125.793 126.932 -1.139 18415 6062 1 8 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.436 0.035 18415 6063 1 8 . 1 1 122 122 ALA C C 122 177.616 177.616 175.640 1.976 18415 6064 1 8 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.582 0.661 18415 6065 1 8 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.427 -1.825 18415 6066 1 8 . 1 1 122 122 ALA H H 122 8.441 8.441 8.774 -0.333 18415 6067 1 8 . 1 1 123 123 SER N N 123 115.420 115.420 114.382 1.038 18415 6068 1 8 . 1 1 123 123 SER HA H 123 4.522 4.522 5.249 -0.727 18415 6069 1 8 . 1 1 123 123 SER C C 123 172.514 172.514 174.592 -2.078 18415 6070 1 8 . 1 1 123 123 SER CA C 123 60.661 60.661 57.134 3.527 18415 6071 1 8 . 1 1 123 123 SER CB C 123 62.943 62.943 63.977 -1.034 18415 6072 1 8 . 1 1 123 123 SER H H 123 7.716 7.716 8.088 -0.372 18415 6073 1 8 . 1 1 124 124 ARG N N 124 112.529 112.529 116.456 -3.927 18415 6074 1 8 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.005 0.485 18415 6075 1 8 . 1 1 124 124 ARG C C 124 173.779 173.779 174.218 -0.439 18415 6076 1 8 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.470 0.469 18415 6077 1 8 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.786 -1.861 18415 6078 1 8 . 1 1 124 124 ARG H H 124 8.840 8.840 9.032 -0.192 18415 6079 1 8 . 1 1 125 125 ILE N N 125 116.525 116.525 121.072 -4.547 18415 6080 1 8 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.788 -0.070 18415 6081 1 8 . 1 1 125 125 ILE C C 125 175.656 175.656 174.694 0.962 18415 6082 1 8 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.703 1.133 18415 6083 1 8 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.375 1.183 18415 6084 1 8 . 1 1 125 125 ILE H H 125 6.989 6.989 8.349 -1.360 18415 6085 1 8 . 1 1 126 126 CYS N N 126 123.910 123.910 127.090 -3.180 18415 6086 1 8 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.253 0.317 18415 6087 1 8 . 1 1 126 126 CYS C C 126 173.662 173.662 173.795 -0.133 18415 6088 1 8 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.216 -5.376 18415 6089 1 8 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.291 10.850 18415 6090 1 8 . 1 1 126 126 CYS H H 126 8.288 8.288 8.881 -0.593 18415 6091 1 8 . 1 1 127 127 LYS N N 127 124.170 124.170 124.429 -0.259 18415 6092 1 8 . 1 1 127 127 LYS HA H 127 5.619 5.619 4.888 0.731 18415 6093 1 8 . 1 1 127 127 LYS C C 127 174.637 174.637 175.074 -0.437 18415 6094 1 8 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.151 1.084 18415 6095 1 8 . 1 1 127 127 LYS CB C 127 38.518 38.518 33.683 4.835 18415 6096 1 8 . 1 1 127 127 LYS H H 127 9.681 9.681 9.396 0.285 18415 6097 1 8 . 1 1 128 128 ILE N N 128 129.226 129.226 124.553 4.673 18415 6098 1 8 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.875 0.025 18415 6099 1 8 . 1 1 128 128 ILE C C 128 172.463 172.463 173.572 -1.109 18415 6100 1 8 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.397 0.987 18415 6101 1 8 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.176 1.712 18415 6102 1 8 . 1 1 128 128 ILE H H 128 9.205 9.205 9.228 -0.023 18415 6103 1 8 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.379 0.612 18415 6104 1 8 . 1 1 129 129 PRO C C 129 177.954 177.954 177.022 0.932 18415 6105 1 8 . 1 1 129 129 PRO CA C 129 62.624 62.624 63.040 -0.416 18415 6106 1 8 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.125 0.376 18415 6107 1 8 . 1 1 130 130 GLY N N 130 110.745 110.745 107.483 3.262 18415 6108 1 8 . 1 1 130 130 GLY C C 130 175.022 175.022 175.427 -0.405 18415 6109 1 8 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.157 1.099 18415 6110 1 8 . 1 1 130 130 GLY H H 130 8.673 8.673 8.181 0.492 18415 6111 1 8 . 1 1 131 131 THR N N 131 112.246 112.246 117.075 -4.829 18415 6112 1 8 . 1 1 131 131 THR HA H 131 4.427 4.427 3.947 0.480 18415 6113 1 8 . 1 1 131 131 THR C C 131 175.259 175.259 175.888 -0.629 18415 6114 1 8 . 1 1 131 131 THR CA C 131 61.500 61.500 64.455 -2.955 18415 6115 1 8 . 1 1 131 131 THR CB C 131 69.998 69.998 68.363 1.635 18415 6116 1 8 . 1 1 131 131 THR H H 131 7.870 7.870 8.038 -0.168 18415 6117 1 8 . 1 1 132 132 THR N N 132 116.455 116.455 115.832 0.623 18415 6118 1 8 . 1 1 132 132 THR HA H 132 4.281 4.281 4.190 0.091 18415 6119 1 8 . 1 1 132 132 THR C C 132 174.867 174.867 174.812 0.055 18415 6120 1 8 . 1 1 132 132 THR CA C 132 62.453 62.453 64.004 -1.551 18415 6121 1 8 . 1 1 132 132 THR CB C 132 69.868 69.868 68.251 1.617 18415 6122 1 8 . 1 1 132 132 THR H H 132 8.120 8.120 8.117 0.003 18415 6123 1 8 . 1 1 133 133 LEU N N 133 124.001 124.001 119.159 4.842 18415 6124 1 8 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.265 -0.003 18415 6125 1 8 . 1 1 133 133 LEU C C 133 177.365 177.365 177.944 -0.579 18415 6126 1 8 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.495 -0.748 18415 6127 1 8 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.771 0.551 18415 6128 1 8 . 1 1 133 133 LEU H H 133 8.117 8.117 7.615 0.502 18415 6129 1 8 . 1 1 134 134 ASN N N 134 119.222 119.222 117.612 1.610 18415 6130 1 8 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.697 -0.076 18415 6131 1 8 . 1 1 134 134 ASN C C 134 175.725 175.725 176.097 -0.372 18415 6132 1 8 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.006 -1.381 18415 6133 1 8 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.218 -0.383 18415 6134 1 8 . 1 1 134 134 ASN H H 134 8.325 8.325 7.631 0.694 18415 6135 1 8 . 1 1 135 135 ALA N N 135 123.649 123.649 121.427 2.222 18415 6136 1 8 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.580 -0.451 18415 6137 1 8 . 1 1 135 135 ALA C C 135 179.061 179.061 177.874 1.187 18415 6138 1 8 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.663 2.269 18415 6139 1 8 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.263 0.676 18415 6140 1 8 . 1 1 135 135 ALA H H 135 8.205 8.205 8.155 0.050 18415 6141 1 8 . 1 1 136 136 GLU N N 136 119.187 119.187 120.086 -0.899 18415 6142 1 8 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.072 0.134 18415 6143 1 8 . 1 1 136 136 GLU C C 136 177.504 177.504 178.147 -0.643 18415 6144 1 8 . 1 1 136 136 GLU CA C 136 57.879 57.879 58.848 -0.969 18415 6145 1 8 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.829 0.817 18415 6146 1 8 . 1 1 136 136 GLU H H 136 8.349 8.349 7.839 0.510 18415 6147 1 8 . 1 1 137 137 ASN N N 137 118.988 118.988 117.488 1.500 18415 6148 1 8 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.716 -0.079 18415 6149 1 8 . 1 1 137 137 ASN C C 137 176.785 176.785 177.355 -0.570 18415 6150 1 8 . 1 1 137 137 ASN CA C 137 54.474 54.474 54.258 0.216 18415 6151 1 8 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.453 0.256 18415 6152 1 8 . 1 1 137 137 ASN H H 137 8.259 8.259 8.132 0.127 18415 6153 1 8 . 1 1 138 138 LEU N N 138 121.438 121.438 121.714 -0.276 18415 6154 1 8 . 1 1 138 138 LEU HA H 138 4.135 4.135 3.977 0.158 18415 6155 1 8 . 1 1 138 138 LEU C C 138 178.872 178.872 177.883 0.989 18415 6156 1 8 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.226 -1.299 18415 6157 1 8 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.236 -0.235 18415 6158 1 8 . 1 1 138 138 LEU H H 138 8.084 8.084 7.869 0.215 18415 6159 1 8 . 1 1 139 139 TYR N N 139 120.558 120.558 118.571 1.987 18415 6160 1 8 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.249 0.037 18415 6161 1 8 . 1 1 139 139 TYR C C 139 177.587 177.587 177.069 0.518 18415 6162 1 8 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.916 -0.771 18415 6163 1 8 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.612 -0.246 18415 6164 1 8 . 1 1 139 139 TYR H H 139 8.130 8.130 7.603 0.527 18415 6165 1 8 . 1 1 140 140 PHE N N 140 120.508 120.508 120.067 0.441 18415 6166 1 8 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.310 0.045 18415 6167 1 8 . 1 1 140 140 PHE C C 140 177.425 177.425 176.726 0.699 18415 6168 1 8 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.377 -0.747 18415 6169 1 8 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.285 -0.033 18415 6170 1 8 . 1 1 140 140 PHE H H 140 8.275 8.275 7.878 0.397 18415 6171 1 8 . 1 1 141 141 GLN N N 141 119.274 119.274 117.593 1.681 18415 6172 1 8 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.181 -0.068 18415 6173 1 8 . 1 1 141 141 GLN C C 141 176.976 176.976 176.333 0.643 18415 6174 1 8 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.676 0.687 18415 6175 1 8 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.503 -0.475 18415 6176 1 8 . 1 1 141 141 GLN H H 141 8.250 8.250 7.959 0.291 18415 6177 1 9 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.140 -0.353 18415 6178 1 9 . 1 1 2 2 VAL C C 2 172.250 172.250 174.540 -2.290 18415 6179 1 9 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.304 -1.010 18415 6180 1 9 . 1 1 2 2 VAL CB C 2 33.708 33.708 30.984 2.724 18415 6181 1 9 . 1 1 3 3 CYS N N 3 121.988 121.988 125.153 -3.165 18415 6182 1 9 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.601 0.604 18415 6183 1 9 . 1 1 3 3 CYS C C 3 171.993 171.993 172.467 -0.474 18415 6184 1 9 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.721 -4.677 18415 6185 1 9 . 1 1 3 3 CYS CB C 3 39.461 39.461 28.725 10.736 18415 6186 1 9 . 1 1 3 3 CYS H H 3 8.628 8.628 8.496 0.132 18415 6187 1 9 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.931 -0.108 18415 6188 1 9 . 1 1 5 5 ILE C C 5 176.622 176.622 176.840 -0.218 18415 6189 1 9 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.347 -0.047 18415 6190 1 9 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.514 -0.470 18415 6191 1 9 . 1 1 6 6 ASP N N 6 117.894 117.894 119.317 -1.423 18415 6192 1 9 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.485 -0.141 18415 6193 1 9 . 1 1 6 6 ASP H H 6 8.606 8.606 8.465 0.141 18415 6194 1 9 . 1 1 7 7 TRP N N 7 120.564 120.564 120.607 -0.043 18415 6195 1 9 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.791 -0.101 18415 6196 1 9 . 1 1 7 7 TRP C C 7 176.415 176.415 176.687 -0.272 18415 6197 1 9 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.841 0.197 18415 6198 1 9 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.353 -0.582 18415 6199 1 9 . 1 1 7 7 TRP H H 7 8.208 8.208 7.383 0.825 18415 6200 1 9 . 1 1 8 8 ARG N N 8 119.872 119.872 124.205 -4.333 18415 6201 1 9 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.472 0.214 18415 6202 1 9 . 1 1 8 8 ARG C C 8 176.146 176.146 175.583 0.563 18415 6203 1 9 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.438 -0.497 18415 6204 1 9 . 1 1 8 8 ARG CB C 8 31.563 31.563 31.178 0.385 18415 6205 1 9 . 1 1 8 8 ARG H H 8 9.456 9.456 9.091 0.365 18415 6206 1 9 . 1 1 9 9 ALA N N 9 127.265 127.265 129.627 -2.362 18415 6207 1 9 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.962 0.429 18415 6208 1 9 . 1 1 9 9 ALA C C 9 176.927 176.927 176.445 0.482 18415 6209 1 9 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.032 0.978 18415 6210 1 9 . 1 1 9 9 ALA CB C 9 22.663 22.663 20.302 2.361 18415 6211 1 9 . 1 1 9 9 ALA H H 9 8.819 8.819 8.595 0.224 18415 6212 1 9 . 1 1 10 10 PHE N N 10 120.450 120.450 126.375 -5.925 18415 6213 1 9 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.872 -0.678 18415 6214 1 9 . 1 1 10 10 PHE C C 10 174.606 174.606 174.986 -0.380 18415 6215 1 9 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.650 0.876 18415 6216 1 9 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.677 -0.816 18415 6217 1 9 . 1 1 10 10 PHE H H 10 8.202 8.202 8.885 -0.683 18415 6218 1 9 . 1 1 11 11 GLN N N 11 126.391 126.391 124.289 2.102 18415 6219 1 9 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.516 -0.055 18415 6220 1 9 . 1 1 11 11 GLN C C 11 175.859 175.859 176.378 -0.519 18415 6221 1 9 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.343 -1.091 18415 6222 1 9 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.205 -1.243 18415 6223 1 9 . 1 1 11 11 GLN H H 11 8.872 8.872 8.627 0.245 18415 6224 1 9 . 1 1 12 12 SER N N 12 113.087 113.087 115.659 -2.572 18415 6225 1 9 . 1 1 12 12 SER HA H 12 4.252 4.252 4.375 -0.123 18415 6226 1 9 . 1 1 12 12 SER C C 12 173.339 173.339 173.807 -0.468 18415 6227 1 9 . 1 1 12 12 SER CA C 12 59.795 59.795 57.654 2.141 18415 6228 1 9 . 1 1 12 12 SER CB C 12 62.943 62.943 63.566 -0.623 18415 6229 1 9 . 1 1 12 12 SER H H 12 8.189 8.189 8.162 0.027 18415 6230 1 9 . 1 1 13 13 ASN N N 13 118.336 118.336 119.517 -1.181 18415 6231 1 9 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.801 0.455 18415 6232 1 9 . 1 1 13 13 ASN C C 13 174.330 174.330 173.917 0.413 18415 6233 1 9 . 1 1 13 13 ASN CA C 13 52.342 52.342 53.386 -1.044 18415 6234 1 9 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.807 2.651 18415 6235 1 9 . 1 1 13 13 ASN H H 13 8.242 8.242 8.019 0.223 18415 6236 1 9 . 1 1 14 14 CYS N N 14 118.315 118.315 117.377 0.938 18415 6237 1 9 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.340 0.521 18415 6238 1 9 . 1 1 14 14 CYS C C 14 174.314 174.314 173.223 1.091 18415 6239 1 9 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.191 -4.506 18415 6240 1 9 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.105 13.914 18415 6241 1 9 . 1 1 14 14 CYS H H 14 8.592 8.592 8.700 -0.108 18415 6242 1 9 . 1 1 15 15 TYR N N 15 121.588 121.588 120.534 1.054 18415 6243 1 9 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.383 0.394 18415 6244 1 9 . 1 1 15 15 TYR C C 15 176.333 176.333 174.155 2.178 18415 6245 1 9 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.635 1.981 18415 6246 1 9 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.155 3.428 18415 6247 1 9 . 1 1 15 15 TYR H H 15 9.947 9.947 9.591 0.356 18415 6248 1 9 . 1 1 16 16 PHE N N 16 121.989 121.989 122.656 -0.667 18415 6249 1 9 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.809 0.102 18415 6250 1 9 . 1 1 16 16 PHE C C 16 172.937 172.937 172.828 0.109 18415 6251 1 9 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.977 -0.579 18415 6252 1 9 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.356 -2.286 18415 6253 1 9 . 1 1 16 16 PHE H H 16 8.717 8.717 9.296 -0.579 18415 6254 1 9 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.452 0.664 18415 6255 1 9 . 1 1 17 17 PRO C C 17 175.445 175.445 175.107 0.338 18415 6256 1 9 . 1 1 17 17 PRO CA C 17 61.488 61.488 62.044 -0.556 18415 6257 1 9 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.695 0.296 18415 6258 1 9 . 1 1 18 18 LEU N N 18 126.062 126.062 126.540 -0.478 18415 6259 1 9 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.509 0.172 18415 6260 1 9 . 1 1 18 18 LEU C C 18 177.391 177.391 178.015 -0.624 18415 6261 1 9 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.604 1.756 18415 6262 1 9 . 1 1 18 18 LEU CB C 18 45.482 45.482 42.704 2.778 18415 6263 1 9 . 1 1 18 18 LEU H H 18 9.054 9.054 9.044 0.010 18415 6264 1 9 . 1 1 19 19 THR N N 19 109.256 109.256 113.272 -4.016 18415 6265 1 9 . 1 1 19 19 THR HA H 19 4.612 4.612 4.247 0.365 18415 6266 1 9 . 1 1 19 19 THR C C 19 175.613 175.613 174.412 1.201 18415 6267 1 9 . 1 1 19 19 THR CA C 19 62.236 62.236 62.160 0.076 18415 6268 1 9 . 1 1 19 19 THR CB C 19 69.530 69.530 69.212 0.318 18415 6269 1 9 . 1 1 19 19 THR H H 19 8.303 8.303 8.682 -0.379 18415 6270 1 9 . 1 1 20 20 ASP N N 20 121.645 121.645 122.202 -0.557 18415 6271 1 9 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.525 -0.068 18415 6272 1 9 . 1 1 20 20 ASP C C 20 174.684 174.684 175.411 -0.727 18415 6273 1 9 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.333 -0.215 18415 6274 1 9 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.008 -1.939 18415 6275 1 9 . 1 1 20 20 ASP H H 20 8.834 8.834 7.921 0.913 18415 6276 1 9 . 1 1 21 21 ASN N N 21 118.648 118.648 119.835 -1.187 18415 6277 1 9 . 1 1 21 21 ASN HA H 21 4.646 4.646 5.055 -0.409 18415 6278 1 9 . 1 1 21 21 ASN C C 21 176.542 176.542 174.930 1.612 18415 6279 1 9 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.642 0.810 18415 6280 1 9 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.427 0.026 18415 6281 1 9 . 1 1 21 21 ASN H H 21 8.113 8.113 8.513 -0.400 18415 6282 1 9 . 1 1 22 22 LYS N N 22 122.470 122.470 124.323 -1.853 18415 6283 1 9 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.745 0.111 18415 6284 1 9 . 1 1 22 22 LYS C C 22 176.711 176.711 175.795 0.916 18415 6285 1 9 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.637 2.028 18415 6286 1 9 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.481 2.058 18415 6287 1 9 . 1 1 22 22 LYS H H 22 8.794 8.794 9.062 -0.268 18415 6288 1 9 . 1 1 23 23 THR N N 23 109.009 109.009 116.553 -7.544 18415 6289 1 9 . 1 1 23 23 THR HA H 23 5.647 5.647 4.591 1.056 18415 6290 1 9 . 1 1 23 23 THR C C 23 178.411 178.411 175.513 2.898 18415 6291 1 9 . 1 1 23 23 THR CA C 23 61.773 61.773 62.126 -0.353 18415 6292 1 9 . 1 1 23 23 THR CB C 23 71.820 71.820 69.258 2.562 18415 6293 1 9 . 1 1 23 23 THR H H 23 8.250 8.250 8.764 -0.514 18415 6294 1 9 . 1 1 24 24 TRP N N 24 126.345 126.345 126.262 0.083 18415 6295 1 9 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.375 -0.345 18415 6296 1 9 . 1 1 24 24 TRP C C 24 178.204 178.204 176.998 1.206 18415 6297 1 9 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.804 1.777 18415 6298 1 9 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.040 1.614 18415 6299 1 9 . 1 1 24 24 TRP H H 24 8.279 8.279 7.895 0.384 18415 6300 1 9 . 1 1 25 25 ALA N N 25 119.965 119.965 119.924 0.041 18415 6301 1 9 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.959 -0.011 18415 6302 1 9 . 1 1 25 25 ALA C C 25 182.089 182.089 179.452 2.637 18415 6303 1 9 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.598 0.292 18415 6304 1 9 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.202 0.053 18415 6305 1 9 . 1 1 25 25 ALA H H 25 9.634 9.634 8.578 1.056 18415 6306 1 9 . 1 1 26 26 GLU N N 26 116.492 116.492 117.399 -0.907 18415 6307 1 9 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.999 0.064 18415 6308 1 9 . 1 1 26 26 GLU C C 26 179.756 179.756 178.827 0.929 18415 6309 1 9 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.270 0.025 18415 6310 1 9 . 1 1 26 26 GLU CB C 26 30.483 30.483 28.585 1.898 18415 6311 1 9 . 1 1 26 26 GLU H H 26 7.392 7.392 7.972 -0.580 18415 6312 1 9 . 1 1 27 27 SER N N 27 121.197 121.197 116.122 5.075 18415 6313 1 9 . 1 1 27 27 SER HA H 27 3.855 3.855 4.075 -0.220 18415 6314 1 9 . 1 1 27 27 SER C C 27 174.299 174.299 176.152 -1.853 18415 6315 1 9 . 1 1 27 27 SER CA C 27 63.344 63.344 62.078 1.266 18415 6316 1 9 . 1 1 27 27 SER CB C 27 62.329 62.329 62.791 -0.462 18415 6317 1 9 . 1 1 27 27 SER H H 27 8.596 8.596 8.368 0.228 18415 6318 1 9 . 1 1 28 28 GLU N N 28 124.173 124.173 120.896 3.277 18415 6319 1 9 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.090 0.178 18415 6320 1 9 . 1 1 28 28 GLU C C 28 178.856 178.856 178.580 0.276 18415 6321 1 9 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.432 0.767 18415 6322 1 9 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.911 -2.011 18415 6323 1 9 . 1 1 28 28 GLU H H 28 8.133 8.133 7.426 0.707 18415 6324 1 9 . 1 1 29 29 ARG N N 29 120.498 120.498 117.841 2.657 18415 6325 1 9 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.054 -0.011 18415 6326 1 9 . 1 1 29 29 ARG C C 29 179.339 179.339 177.683 1.656 18415 6327 1 9 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.025 0.666 18415 6328 1 9 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.272 -0.037 18415 6329 1 9 . 1 1 29 29 ARG H H 29 7.962 7.962 7.799 0.163 18415 6330 1 9 . 1 1 30 30 ASN N N 30 119.000 119.000 116.094 2.906 18415 6331 1 9 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.718 -0.271 18415 6332 1 9 . 1 1 30 30 ASN C C 30 178.153 178.153 175.638 2.515 18415 6333 1 9 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.365 3.284 18415 6334 1 9 . 1 1 30 30 ASN CB C 30 40.436 40.436 40.044 0.392 18415 6335 1 9 . 1 1 30 30 ASN H H 30 7.960 7.960 7.603 0.357 18415 6336 1 9 . 1 1 31 31 CYS N N 31 116.301 116.301 116.897 -0.596 18415 6337 1 9 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.559 -0.078 18415 6338 1 9 . 1 1 31 31 CYS C C 31 178.072 178.072 175.750 2.322 18415 6339 1 9 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.514 -4.104 18415 6340 1 9 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.575 6.134 18415 6341 1 9 . 1 1 31 31 CYS H H 31 8.477 8.477 7.905 0.572 18415 6342 1 9 . 1 1 32 32 SER N N 32 119.834 119.834 114.981 4.853 18415 6343 1 9 . 1 1 32 32 SER HA H 32 4.700 4.700 3.902 0.798 18415 6344 1 9 . 1 1 32 32 SER C C 32 179.062 179.062 176.543 2.519 18415 6345 1 9 . 1 1 32 32 SER CA C 32 61.663 61.663 61.187 0.476 18415 6346 1 9 . 1 1 32 32 SER CB C 32 62.655 62.655 61.398 1.257 18415 6347 1 9 . 1 1 32 32 SER H H 32 9.206 9.206 8.686 0.520 18415 6348 1 9 . 1 1 33 33 GLY N N 33 111.632 111.632 109.385 2.247 18415 6349 1 9 . 1 1 33 33 GLY C C 33 174.861 174.861 174.619 0.242 18415 6350 1 9 . 1 1 33 33 GLY CA C 33 46.667 46.667 46.731 -0.064 18415 6351 1 9 . 1 1 33 33 GLY H H 33 8.053 8.053 8.442 -0.389 18415 6352 1 9 . 1 1 34 34 MET N N 34 116.998 116.998 117.432 -0.434 18415 6353 1 9 . 1 1 34 34 MET HA H 34 4.596 4.596 4.561 0.035 18415 6354 1 9 . 1 1 34 34 MET C C 34 175.356 175.356 176.035 -0.679 18415 6355 1 9 . 1 1 34 34 MET CA C 34 54.887 54.887 55.112 -0.225 18415 6356 1 9 . 1 1 34 34 MET CB C 34 33.959 33.959 32.948 1.011 18415 6357 1 9 . 1 1 34 34 MET H H 34 7.441 7.441 7.936 -0.495 18415 6358 1 9 . 1 1 35 35 GLY N N 35 106.474 106.474 106.133 0.341 18415 6359 1 9 . 1 1 35 35 GLY C C 35 173.112 173.112 173.474 -0.362 18415 6360 1 9 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.367 0.034 18415 6361 1 9 . 1 1 35 35 GLY H H 35 7.807 7.807 7.905 -0.098 18415 6362 1 9 . 1 1 36 36 ALA N N 36 121.833 121.833 121.957 -0.124 18415 6363 1 9 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.588 0.114 18415 6364 1 9 . 1 1 36 36 ALA C C 36 174.285 174.285 175.394 -1.109 18415 6365 1 9 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.850 -1.129 18415 6366 1 9 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.583 3.079 18415 6367 1 9 . 1 1 36 36 ALA H H 36 7.693 7.693 7.511 0.182 18415 6368 1 9 . 1 1 37 37 HIS N N 37 111.683 111.683 112.941 -1.258 18415 6369 1 9 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.266 -0.135 18415 6370 1 9 . 1 1 37 37 HIS C C 37 175.351 175.351 175.017 0.334 18415 6371 1 9 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.401 -0.828 18415 6372 1 9 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.372 0.599 18415 6373 1 9 . 1 1 37 37 HIS H H 37 8.078 8.078 8.850 -0.772 18415 6374 1 9 . 1 1 38 38 LEU N N 38 123.260 123.260 121.595 1.665 18415 6375 1 9 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.522 0.251 18415 6376 1 9 . 1 1 38 38 LEU C C 38 179.180 179.180 177.710 1.470 18415 6377 1 9 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.673 0.693 18415 6378 1 9 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.164 1.492 18415 6379 1 9 . 1 1 38 38 LEU H H 38 9.964 9.964 8.735 1.229 18415 6380 1 9 . 1 1 39 39 MET N N 39 119.511 119.511 124.117 -4.606 18415 6381 1 9 . 1 1 39 39 MET HA H 39 3.855 3.855 4.402 -0.547 18415 6382 1 9 . 1 1 39 39 MET C C 39 174.874 174.874 175.169 -0.295 18415 6383 1 9 . 1 1 39 39 MET CA C 39 58.789 58.789 55.375 3.414 18415 6384 1 9 . 1 1 39 39 MET CB C 39 34.405 34.405 32.232 2.173 18415 6385 1 9 . 1 1 39 39 MET H H 39 8.409 8.409 8.532 -0.123 18415 6386 1 9 . 1 1 40 40 THR N N 40 123.771 123.771 119.605 4.166 18415 6387 1 9 . 1 1 40 40 THR HA H 40 4.013 4.013 4.084 -0.071 18415 6388 1 9 . 1 1 40 40 THR C C 40 172.936 172.936 172.976 -0.040 18415 6389 1 9 . 1 1 40 40 THR CA C 40 59.869 59.869 59.934 -0.065 18415 6390 1 9 . 1 1 40 40 THR CB C 40 70.587 70.587 68.568 2.019 18415 6391 1 9 . 1 1 40 40 THR H H 40 6.822 6.822 8.017 -1.195 18415 6392 1 9 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.074 0.175 18415 6393 1 9 . 1 1 41 41 ILE C C 41 174.349 174.349 175.462 -1.113 18415 6394 1 9 . 1 1 41 41 ILE CA C 41 59.757 59.757 61.689 -1.932 18415 6395 1 9 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.422 1.149 18415 6396 1 9 . 1 1 42 42 SER N N 42 122.113 122.113 121.445 0.668 18415 6397 1 9 . 1 1 42 42 SER HA H 42 4.647 4.647 4.538 0.109 18415 6398 1 9 . 1 1 42 42 SER C C 42 174.502 174.502 174.582 -0.080 18415 6399 1 9 . 1 1 42 42 SER CA C 42 59.768 59.768 58.689 1.079 18415 6400 1 9 . 1 1 42 42 SER CB C 42 64.720 64.720 65.154 -0.434 18415 6401 1 9 . 1 1 42 42 SER H H 42 9.230 9.230 9.690 -0.460 18415 6402 1 9 . 1 1 43 43 THR N N 43 108.516 108.516 112.641 -4.125 18415 6403 1 9 . 1 1 43 43 THR HA H 43 4.807 4.807 4.757 0.050 18415 6404 1 9 . 1 1 43 43 THR C C 43 173.812 173.812 175.206 -1.394 18415 6405 1 9 . 1 1 43 43 THR CA C 43 59.249 59.249 60.100 -0.851 18415 6406 1 9 . 1 1 43 43 THR CB C 43 73.128 73.128 72.601 0.527 18415 6407 1 9 . 1 1 43 43 THR H H 43 7.559 7.559 7.741 -0.182 18415 6408 1 9 . 1 1 44 44 GLU N N 44 123.057 123.057 122.960 0.097 18415 6409 1 9 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.068 -0.619 18415 6410 1 9 . 1 1 44 44 GLU C C 44 178.262 178.262 178.171 0.091 18415 6411 1 9 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.887 -0.558 18415 6412 1 9 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.273 0.169 18415 6413 1 9 . 1 1 44 44 GLU H H 44 9.377 9.377 9.120 0.257 18415 6414 1 9 . 1 1 45 45 ALA N N 45 119.910 119.910 121.183 -1.273 18415 6415 1 9 . 1 1 45 45 ALA HA H 45 4.050 4.050 3.994 0.056 18415 6416 1 9 . 1 1 45 45 ALA C C 45 180.096 180.096 179.200 0.896 18415 6417 1 9 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.131 0.049 18415 6418 1 9 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.163 0.104 18415 6419 1 9 . 1 1 45 45 ALA H H 45 8.328 8.328 8.476 -0.148 18415 6420 1 9 . 1 1 46 46 GLU N N 46 118.861 118.861 119.297 -0.436 18415 6421 1 9 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.173 0.439 18415 6422 1 9 . 1 1 46 46 GLU C C 46 177.452 177.452 178.069 -0.617 18415 6423 1 9 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.253 0.031 18415 6424 1 9 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.202 1.311 18415 6425 1 9 . 1 1 46 46 GLU H H 46 7.852 7.852 7.574 0.278 18415 6426 1 9 . 1 1 47 47 GLN N N 47 119.473 119.473 118.922 0.551 18415 6427 1 9 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.796 -0.109 18415 6428 1 9 . 1 1 47 47 GLN C C 47 176.429 176.429 178.233 -1.804 18415 6429 1 9 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.978 0.930 18415 6430 1 9 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.349 1.627 18415 6431 1 9 . 1 1 47 47 GLN H H 47 7.054 7.054 7.619 -0.565 18415 6432 1 9 . 1 1 48 48 ASN N N 48 115.182 115.182 117.499 -2.317 18415 6433 1 9 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.263 -0.050 18415 6434 1 9 . 1 1 48 48 ASN C C 48 176.986 176.986 177.877 -0.891 18415 6435 1 9 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.295 -1.266 18415 6436 1 9 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.423 -0.866 18415 6437 1 9 . 1 1 48 48 ASN H H 48 8.416 8.416 7.773 0.643 18415 6438 1 9 . 1 1 49 49 PHE N N 49 118.413 118.413 120.397 -1.984 18415 6439 1 9 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.262 -0.283 18415 6440 1 9 . 1 1 49 49 PHE C C 49 177.254 177.254 178.101 -0.847 18415 6441 1 9 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.745 -0.583 18415 6442 1 9 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.019 -0.936 18415 6443 1 9 . 1 1 49 49 PHE H H 49 7.473 7.473 8.236 -0.763 18415 6444 1 9 . 1 1 50 50 ILE N N 50 117.601 117.601 121.567 -3.966 18415 6445 1 9 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.877 -0.336 18415 6446 1 9 . 1 1 50 50 ILE C C 50 176.891 176.891 176.837 0.054 18415 6447 1 9 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.746 -3.094 18415 6448 1 9 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.015 1.194 18415 6449 1 9 . 1 1 50 50 ILE H H 50 7.020 7.020 7.599 -0.579 18415 6450 1 9 . 1 1 51 51 ILE N N 51 114.824 114.824 115.546 -0.722 18415 6451 1 9 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.050 -0.157 18415 6452 1 9 . 1 1 51 51 ILE C C 51 177.092 177.092 176.850 0.242 18415 6453 1 9 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.223 0.981 18415 6454 1 9 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.606 0.313 18415 6455 1 9 . 1 1 51 51 ILE H H 51 7.216 7.216 7.488 -0.272 18415 6456 1 9 . 1 1 52 52 GLN N N 52 116.767 116.767 118.041 -1.274 18415 6457 1 9 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.913 -0.143 18415 6458 1 9 . 1 1 52 52 GLN C C 52 176.442 176.442 176.792 -0.350 18415 6459 1 9 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.729 -0.459 18415 6460 1 9 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.544 0.475 18415 6461 1 9 . 1 1 52 52 GLN H H 52 6.416 6.416 7.017 -0.601 18415 6462 1 9 . 1 1 53 53 PHE N N 53 115.400 115.400 115.838 -0.438 18415 6463 1 9 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.327 0.250 18415 6464 1 9 . 1 1 53 53 PHE C C 53 174.993 174.993 175.922 -0.929 18415 6465 1 9 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.599 -1.704 18415 6466 1 9 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.572 -0.039 18415 6467 1 9 . 1 1 53 53 PHE H H 53 7.216 7.216 7.051 0.165 18415 6468 1 9 . 1 1 54 54 LEU N N 54 118.096 118.096 118.739 -0.643 18415 6469 1 9 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.879 0.212 18415 6470 1 9 . 1 1 54 54 LEU C C 54 175.467 175.467 177.599 -2.132 18415 6471 1 9 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.875 -1.304 18415 6472 1 9 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.461 0.246 18415 6473 1 9 . 1 1 54 54 LEU H H 54 6.668 6.668 7.110 -0.442 18415 6474 1 9 . 1 1 55 55 ASP N N 55 123.723 123.723 121.770 1.953 18415 6475 1 9 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.503 0.312 18415 6476 1 9 . 1 1 55 55 ASP C C 55 177.896 177.896 176.607 1.289 18415 6477 1 9 . 1 1 55 55 ASP CA C 55 53.098 53.098 55.543 -2.445 18415 6478 1 9 . 1 1 55 55 ASP CB C 55 42.662 42.662 41.529 1.133 18415 6479 1 9 . 1 1 55 55 ASP H H 55 8.687 8.687 8.395 0.292 18415 6480 1 9 . 1 1 56 56 ARG N N 56 124.370 124.370 114.133 10.237 18415 6481 1 9 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.300 0.010 18415 6482 1 9 . 1 1 56 56 ARG C C 56 178.201 178.201 175.361 2.840 18415 6483 1 9 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.692 1.266 18415 6484 1 9 . 1 1 56 56 ARG CB C 56 30.578 30.578 27.880 2.698 18415 6485 1 9 . 1 1 56 56 ARG H H 56 8.758 8.758 9.068 -0.310 18415 6486 1 9 . 1 1 57 57 ARG N N 57 120.411 120.411 117.249 3.162 18415 6487 1 9 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.334 -0.040 18415 6488 1 9 . 1 1 57 57 ARG C C 57 177.064 177.064 175.315 1.749 18415 6489 1 9 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.248 1.284 18415 6490 1 9 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.838 -1.147 18415 6491 1 9 . 1 1 57 57 ARG H H 57 9.150 9.150 8.516 0.634 18415 6492 1 9 . 1 1 58 58 LEU N N 58 119.445 119.445 120.788 -1.343 18415 6493 1 9 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.551 0.153 18415 6494 1 9 . 1 1 58 58 LEU C C 58 176.450 176.450 176.655 -0.205 18415 6495 1 9 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.831 0.448 18415 6496 1 9 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.242 1.016 18415 6497 1 9 . 1 1 58 58 LEU H H 58 8.328 8.328 8.427 -0.099 18415 6498 1 9 . 1 1 59 59 SER N N 59 116.536 116.536 114.901 1.635 18415 6499 1 9 . 1 1 59 59 SER HA H 59 5.505 5.505 5.408 0.097 18415 6500 1 9 . 1 1 59 59 SER C C 59 173.263 173.263 173.386 -0.123 18415 6501 1 9 . 1 1 59 59 SER CA C 59 57.199 57.199 57.079 0.120 18415 6502 1 9 . 1 1 59 59 SER CB C 59 65.064 65.064 64.725 0.339 18415 6503 1 9 . 1 1 59 59 SER H H 59 8.470 8.470 8.490 -0.020 18415 6504 1 9 . 1 1 60 60 TYR N N 60 120.274 120.274 123.254 -2.980 18415 6505 1 9 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.908 -0.631 18415 6506 1 9 . 1 1 60 60 TYR C C 60 175.560 175.560 176.096 -0.536 18415 6507 1 9 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.593 -0.121 18415 6508 1 9 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.386 2.121 18415 6509 1 9 . 1 1 60 60 TYR H H 60 8.897 8.897 9.308 -0.411 18415 6510 1 9 . 1 1 61 61 PHE N N 61 123.635 123.635 122.094 1.541 18415 6511 1 9 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.863 0.425 18415 6512 1 9 . 1 1 61 61 PHE C C 61 175.433 175.433 175.806 -0.373 18415 6513 1 9 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.212 -0.137 18415 6514 1 9 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.614 1.255 18415 6515 1 9 . 1 1 61 61 PHE H H 61 9.521 9.521 9.028 0.493 18415 6516 1 9 . 1 1 62 62 LEU N N 62 114.382 114.382 119.429 -5.047 18415 6517 1 9 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.147 -0.074 18415 6518 1 9 . 1 1 62 62 LEU C C 62 179.521 179.521 178.054 1.467 18415 6519 1 9 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.286 -1.503 18415 6520 1 9 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.958 1.318 18415 6521 1 9 . 1 1 62 62 LEU H H 62 8.394 8.394 9.011 -0.617 18415 6522 1 9 . 1 1 63 63 GLY N N 63 106.675 106.675 107.689 -1.014 18415 6523 1 9 . 1 1 63 63 GLY C C 63 172.404 172.404 174.430 -2.026 18415 6524 1 9 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.280 2.113 18415 6525 1 9 . 1 1 63 63 GLY H H 63 9.253 9.253 8.764 0.489 18415 6526 1 9 . 1 1 64 64 LEU N N 64 124.754 124.754 121.697 3.057 18415 6527 1 9 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.473 0.111 18415 6528 1 9 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.953 -0.651 18415 6529 1 9 . 1 1 64 64 LEU CB C 64 43.272 43.272 41.212 2.060 18415 6530 1 9 . 1 1 64 64 LEU H H 64 6.840 6.840 7.630 -0.790 18415 6531 1 9 . 1 1 65 65 ARG N N 65 124.476 124.476 121.474 3.002 18415 6532 1 9 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.584 0.576 18415 6533 1 9 . 1 1 65 65 ARG C C 65 174.245 174.245 173.632 0.613 18415 6534 1 9 . 1 1 65 65 ARG CA C 65 54.904 54.904 53.578 1.326 18415 6535 1 9 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.687 0.844 18415 6536 1 9 . 1 1 65 65 ARG H H 65 8.218 8.218 8.299 -0.081 18415 6537 1 9 . 1 1 66 66 ASP N N 66 126.754 126.754 118.718 8.036 18415 6538 1 9 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.518 -0.089 18415 6539 1 9 . 1 1 66 66 ASP C C 66 176.516 176.516 175.154 1.362 18415 6540 1 9 . 1 1 66 66 ASP CA C 66 51.854 51.854 51.806 0.048 18415 6541 1 9 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.589 -3.821 18415 6542 1 9 . 1 1 66 66 ASP H H 66 8.756 8.756 7.852 0.904 18415 6543 1 9 . 1 1 67 67 GLU N N 67 123.390 123.390 121.028 2.362 18415 6544 1 9 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.217 -0.441 18415 6545 1 9 . 1 1 67 67 GLU C C 67 175.648 175.648 175.825 -0.177 18415 6546 1 9 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.989 1.859 18415 6547 1 9 . 1 1 67 67 GLU CB C 67 30.316 30.316 31.045 -0.729 18415 6548 1 9 . 1 1 67 67 GLU H H 67 8.488 8.488 8.645 -0.157 18415 6549 1 9 . 1 1 68 68 ASN N N 68 114.882 114.882 118.160 -3.278 18415 6550 1 9 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.622 0.042 18415 6551 1 9 . 1 1 68 68 ASN C C 68 174.482 174.482 173.542 0.940 18415 6552 1 9 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.420 -0.506 18415 6553 1 9 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.698 0.714 18415 6554 1 9 . 1 1 68 68 ASN H H 68 8.336 8.336 8.071 0.265 18415 6555 1 9 . 1 1 69 69 ALA N N 69 118.915 118.915 122.679 -3.764 18415 6556 1 9 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.822 0.052 18415 6557 1 9 . 1 1 69 69 ALA C C 69 177.082 177.082 176.783 0.299 18415 6558 1 9 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.134 0.498 18415 6559 1 9 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.876 0.295 18415 6560 1 9 . 1 1 69 69 ALA H H 69 7.444 7.444 8.202 -0.758 18415 6561 1 9 . 1 1 70 70 LYS N N 70 117.439 117.439 118.577 -1.138 18415 6562 1 9 . 1 1 70 70 LYS HA H 70 4.318 4.318 3.983 0.335 18415 6563 1 9 . 1 1 70 70 LYS C C 70 177.726 177.726 177.337 0.389 18415 6564 1 9 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.386 -0.964 18415 6565 1 9 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.416 0.320 18415 6566 1 9 . 1 1 70 70 LYS H H 70 7.925 7.925 8.414 -0.489 18415 6567 1 9 . 1 1 71 71 GLY C C 71 175.127 175.127 173.584 1.543 18415 6568 1 9 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.401 0.273 18415 6569 1 9 . 1 1 72 72 GLN N N 72 124.084 124.084 118.119 5.965 18415 6570 1 9 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.349 0.042 18415 6571 1 9 . 1 1 72 72 GLN C C 72 174.283 174.283 174.429 -0.146 18415 6572 1 9 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.068 -0.911 18415 6573 1 9 . 1 1 72 72 GLN CB C 72 27.633 27.633 29.123 -1.490 18415 6574 1 9 . 1 1 72 72 GLN H H 72 7.749 7.749 7.524 0.225 18415 6575 1 9 . 1 1 73 73 TRP N N 73 121.803 121.803 124.291 -2.488 18415 6576 1 9 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.687 -0.782 18415 6577 1 9 . 1 1 73 73 TRP C C 73 175.776 175.776 175.421 0.355 18415 6578 1 9 . 1 1 73 73 TRP CA C 73 56.821 56.821 56.463 0.358 18415 6579 1 9 . 1 1 73 73 TRP CB C 73 28.876 28.876 31.535 -2.659 18415 6580 1 9 . 1 1 73 73 TRP H H 73 6.599 6.599 8.348 -1.749 18415 6581 1 9 . 1 1 74 74 ARG N N 74 119.549 119.549 118.528 1.021 18415 6582 1 9 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.671 0.035 18415 6583 1 9 . 1 1 74 74 ARG C C 74 176.980 176.980 175.163 1.817 18415 6584 1 9 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.623 -1.290 18415 6585 1 9 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.277 0.346 18415 6586 1 9 . 1 1 74 74 ARG H H 74 8.443 8.443 8.472 -0.029 18415 6587 1 9 . 1 1 75 75 TRP N N 75 125.690 125.690 123.832 1.858 18415 6588 1 9 . 1 1 75 75 TRP HA H 75 5.427 5.427 4.952 0.475 18415 6589 1 9 . 1 1 75 75 TRP C C 75 180.474 180.474 176.372 4.102 18415 6590 1 9 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.892 -2.126 18415 6591 1 9 . 1 1 75 75 TRP CB C 75 31.030 31.030 29.978 1.052 18415 6592 1 9 . 1 1 75 75 TRP H H 75 9.052 9.052 8.566 0.486 18415 6593 1 9 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.050 0.228 18415 6594 1 9 . 1 1 76 76 VAL C C 76 175.431 175.431 177.899 -2.468 18415 6595 1 9 . 1 1 76 76 VAL CA C 76 64.564 64.564 66.282 -1.718 18415 6596 1 9 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.309 0.060 18415 6597 1 9 . 1 1 77 77 ASP N N 77 119.941 119.941 118.533 1.408 18415 6598 1 9 . 1 1 77 77 ASP HA H 77 3.978 3.978 3.869 0.109 18415 6599 1 9 . 1 1 77 77 ASP C C 77 176.293 176.293 177.286 -0.993 18415 6600 1 9 . 1 1 77 77 ASP CA C 77 52.759 52.759 56.855 -4.096 18415 6601 1 9 . 1 1 77 77 ASP CB C 77 40.410 40.410 39.752 0.658 18415 6602 1 9 . 1 1 77 77 ASP H H 77 8.004 8.004 8.763 -0.759 18415 6603 1 9 . 1 1 78 78 GLN N N 78 109.962 109.962 114.602 -4.640 18415 6604 1 9 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.392 -0.267 18415 6605 1 9 . 1 1 78 78 GLN C C 78 176.387 176.387 175.823 0.564 18415 6606 1 9 . 1 1 78 78 GLN CA C 78 57.792 57.792 55.883 1.909 18415 6607 1 9 . 1 1 78 78 GLN CB C 78 26.101 26.101 30.241 -4.139 18415 6608 1 9 . 1 1 78 78 GLN H H 78 8.124 8.124 7.883 0.241 18415 6609 1 9 . 1 1 79 79 THR N N 79 121.656 121.656 121.916 -0.260 18415 6610 1 9 . 1 1 79 79 THR HA H 79 4.250 4.250 4.458 -0.208 18415 6611 1 9 . 1 1 79 79 THR C C 79 172.901 172.901 173.228 -0.327 18415 6612 1 9 . 1 1 79 79 THR CA C 79 63.165 63.165 63.298 -0.133 18415 6613 1 9 . 1 1 79 79 THR CB C 79 69.427 69.427 68.805 0.622 18415 6614 1 9 . 1 1 79 79 THR H H 79 8.172 8.172 8.889 -0.717 18415 6615 1 9 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.660 -0.138 18415 6616 1 9 . 1 1 80 80 PRO C C 80 176.940 176.940 176.648 0.292 18415 6617 1 9 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.598 1.090 18415 6618 1 9 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.637 -0.450 18415 6619 1 9 . 1 1 81 81 PHE N N 81 125.403 125.403 120.630 4.773 18415 6620 1 9 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.476 0.433 18415 6621 1 9 . 1 1 81 81 PHE C C 81 174.853 174.853 174.817 0.036 18415 6622 1 9 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.323 -0.970 18415 6623 1 9 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.792 0.227 18415 6624 1 9 . 1 1 81 81 PHE H H 81 9.015 9.015 8.414 0.601 18415 6625 1 9 . 1 1 82 82 ASN N N 82 129.264 129.264 126.802 2.462 18415 6626 1 9 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.988 0.067 18415 6627 1 9 . 1 1 82 82 ASN C C 82 173.643 173.643 173.805 -0.162 18415 6628 1 9 . 1 1 82 82 ASN CA C 82 48.803 48.803 49.324 -0.521 18415 6629 1 9 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.934 -0.439 18415 6630 1 9 . 1 1 82 82 ASN H H 82 8.985 8.985 8.253 0.732 18415 6631 1 9 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.383 -0.380 18415 6632 1 9 . 1 1 83 83 PRO C C 83 177.123 177.123 177.253 -0.130 18415 6633 1 9 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.912 -1.127 18415 6634 1 9 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.152 0.362 18415 6635 1 9 . 1 1 84 84 ARG N N 84 114.801 114.801 115.972 -1.171 18415 6636 1 9 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.157 0.166 18415 6637 1 9 . 1 1 84 84 ARG C C 84 176.890 176.890 176.467 0.423 18415 6638 1 9 . 1 1 84 84 ARG CA C 84 56.003 56.003 57.044 -1.040 18415 6639 1 9 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.869 -0.711 18415 6640 1 9 . 1 1 84 84 ARG H H 84 7.697 7.697 7.726 -0.029 18415 6641 1 9 . 1 1 85 85 ARG N N 85 123.958 123.958 120.576 3.382 18415 6642 1 9 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.881 0.424 18415 6643 1 9 . 1 1 85 85 ARG C C 85 173.017 173.017 174.532 -1.515 18415 6644 1 9 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.991 -1.182 18415 6645 1 9 . 1 1 85 85 ARG CB C 85 30.040 30.040 29.020 1.020 18415 6646 1 9 . 1 1 85 85 ARG H H 85 7.596 7.596 7.711 -0.115 18415 6647 1 9 . 1 1 86 86 VAL N N 86 110.039 110.039 121.498 -11.459 18415 6648 1 9 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.539 0.260 18415 6649 1 9 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.218 -2.952 18415 6650 1 9 . 1 1 86 86 VAL CB C 86 34.226 34.226 33.138 1.088 18415 6651 1 9 . 1 1 86 86 VAL H H 86 6.570 6.570 6.822 -0.252 18415 6652 1 9 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.487 -0.165 18415 6653 1 9 . 1 1 87 87 PHE C C 87 173.471 173.471 174.506 -1.035 18415 6654 1 9 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.328 0.049 18415 6655 1 9 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.172 -0.788 18415 6656 1 9 . 1 1 88 88 TRP N N 88 118.538 118.538 120.556 -2.018 18415 6657 1 9 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.861 -0.059 18415 6658 1 9 . 1 1 88 88 TRP C C 88 179.297 179.297 176.308 2.989 18415 6659 1 9 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.072 0.165 18415 6660 1 9 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.883 0.667 18415 6661 1 9 . 1 1 88 88 TRP H H 88 6.633 6.633 7.526 -0.893 18415 6662 1 9 . 1 1 89 89 HIS N N 89 122.693 122.693 118.466 4.227 18415 6663 1 9 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.986 -0.615 18415 6664 1 9 . 1 1 89 89 HIS C C 89 175.621 175.621 175.346 0.275 18415 6665 1 9 . 1 1 89 89 HIS CA C 89 58.121 58.121 55.435 2.686 18415 6666 1 9 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.818 0.894 18415 6667 1 9 . 1 1 89 89 HIS H H 89 9.473 9.473 8.796 0.677 18415 6668 1 9 . 1 1 90 90 LYS N N 90 120.826 120.826 128.076 -7.250 18415 6669 1 9 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.539 -0.428 18415 6670 1 9 . 1 1 90 90 LYS C C 90 177.228 177.228 176.231 0.997 18415 6671 1 9 . 1 1 90 90 LYS CA C 90 58.242 58.242 56.960 1.282 18415 6672 1 9 . 1 1 90 90 LYS CB C 90 32.482 32.482 31.957 0.525 18415 6673 1 9 . 1 1 90 90 LYS H H 90 8.741 8.741 8.898 -0.157 18415 6674 1 9 . 1 1 91 91 ASN N N 91 117.166 117.166 123.229 -6.063 18415 6675 1 9 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.565 -0.249 18415 6676 1 9 . 1 1 91 91 ASN C C 91 173.391 173.391 174.392 -1.001 18415 6677 1 9 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.746 1.589 18415 6678 1 9 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.748 -1.363 18415 6679 1 9 . 1 1 91 91 ASN H H 91 8.906 8.906 8.409 0.497 18415 6680 1 9 . 1 1 92 92 GLU N N 92 116.991 116.991 121.929 -4.938 18415 6681 1 9 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.283 0.004 18415 6682 1 9 . 1 1 92 92 GLU C C 92 173.188 173.188 174.141 -0.953 18415 6683 1 9 . 1 1 92 92 GLU CA C 92 53.271 53.271 56.748 -3.478 18415 6684 1 9 . 1 1 92 92 GLU CB C 92 30.454 30.454 28.185 2.269 18415 6685 1 9 . 1 1 92 92 GLU H H 92 7.738 7.738 7.985 -0.247 18415 6686 1 9 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.838 -0.194 18415 6687 1 9 . 1 1 95 95 ASN C C 95 175.699 175.699 175.455 0.244 18415 6688 1 9 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.264 0.195 18415 6689 1 9 . 1 1 95 95 ASN CB C 95 38.725 38.725 40.303 -1.578 18415 6690 1 9 . 1 1 96 96 SER N N 96 116.489 116.489 116.786 -0.297 18415 6691 1 9 . 1 1 96 96 SER HA H 96 4.405 4.405 4.689 -0.284 18415 6692 1 9 . 1 1 96 96 SER C C 96 174.831 174.831 172.957 1.874 18415 6693 1 9 . 1 1 96 96 SER CA C 96 58.753 58.753 57.779 0.974 18415 6694 1 9 . 1 1 96 96 SER CB C 96 64.216 64.216 63.925 0.291 18415 6695 1 9 . 1 1 96 96 SER H H 96 8.118 8.118 7.972 0.146 18415 6696 1 9 . 1 1 97 97 GLN N N 97 121.023 121.023 122.209 -1.186 18415 6697 1 9 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.239 0.013 18415 6698 1 9 . 1 1 97 97 GLN C C 97 176.063 176.063 175.360 0.703 18415 6699 1 9 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.449 0.508 18415 6700 1 9 . 1 1 97 97 GLN CB C 97 29.528 29.528 28.199 1.329 18415 6701 1 9 . 1 1 97 97 GLN H H 97 8.371 8.371 8.311 0.060 18415 6702 1 9 . 1 1 98 98 GLY N N 98 110.498 110.498 112.489 -1.991 18415 6703 1 9 . 1 1 98 98 GLY C C 98 172.460 172.460 173.278 -0.818 18415 6704 1 9 . 1 1 98 98 GLY CA C 98 44.936 44.936 44.869 0.067 18415 6705 1 9 . 1 1 98 98 GLY H H 98 8.080 8.080 7.928 0.152 18415 6706 1 9 . 1 1 99 99 GLU N N 99 119.919 119.919 119.219 0.700 18415 6707 1 9 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.803 0.468 18415 6708 1 9 . 1 1 99 99 GLU C C 99 176.605 176.605 175.349 1.256 18415 6709 1 9 . 1 1 99 99 GLU CA C 99 56.508 56.508 57.310 -0.803 18415 6710 1 9 . 1 1 99 99 GLU CB C 99 29.469 29.469 28.230 1.239 18415 6711 1 9 . 1 1 99 99 GLU H H 99 8.004 8.004 8.002 0.002 18415 6712 1 9 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.858 0.422 18415 6713 1 9 . 1 1 100 100 ASN CA C 100 53.381 53.381 54.048 -0.667 18415 6714 1 9 . 1 1 100 100 ASN CB C 100 41.917 41.917 38.792 3.125 18415 6715 1 9 . 1 1 101 101 CYS N N 101 121.118 121.118 123.286 -2.168 18415 6716 1 9 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.832 0.658 18415 6717 1 9 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.870 0.468 18415 6718 1 9 . 1 1 101 101 CYS CB C 101 43.778 43.778 28.614 15.164 18415 6719 1 9 . 1 1 101 101 CYS H H 101 9.707 9.707 8.808 0.899 18415 6720 1 9 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.277 -0.091 18415 6721 1 9 . 1 1 102 102 VAL C C 102 175.530 175.530 174.423 1.107 18415 6722 1 9 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.269 1.764 18415 6723 1 9 . 1 1 102 102 VAL CB C 102 35.154 35.154 34.769 0.385 18415 6724 1 9 . 1 1 103 103 VAL N N 103 115.890 115.890 123.065 -7.175 18415 6725 1 9 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.087 0.261 18415 6726 1 9 . 1 1 103 103 VAL C C 103 175.136 175.136 174.041 1.095 18415 6727 1 9 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.957 -1.220 18415 6728 1 9 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.291 -0.157 18415 6729 1 9 . 1 1 103 103 VAL H H 103 8.698 8.698 8.788 -0.090 18415 6730 1 9 . 1 1 104 104 LEU N N 104 124.477 124.477 124.002 0.475 18415 6731 1 9 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.267 -0.291 18415 6732 1 9 . 1 1 104 104 LEU C C 104 176.248 176.248 176.175 0.073 18415 6733 1 9 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.614 0.379 18415 6734 1 9 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.546 2.296 18415 6735 1 9 . 1 1 104 104 LEU H H 104 9.453 9.453 9.219 0.234 18415 6736 1 9 . 1 1 105 105 VAL N N 105 123.109 123.109 123.483 -0.374 18415 6737 1 9 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.735 0.280 18415 6738 1 9 . 1 1 105 105 VAL C C 105 173.635 173.635 173.934 -0.299 18415 6739 1 9 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.415 1.818 18415 6740 1 9 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.256 0.378 18415 6741 1 9 . 1 1 105 105 VAL H H 105 9.477 9.477 8.982 0.494 18415 6742 1 9 . 1 1 106 106 TYR N N 106 136.491 136.491 128.382 8.109 18415 6743 1 9 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.130 0.335 18415 6744 1 9 . 1 1 106 106 TYR C C 106 175.009 175.009 174.281 0.728 18415 6745 1 9 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.419 -1.370 18415 6746 1 9 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.495 0.456 18415 6747 1 9 . 1 1 106 106 TYR H H 106 9.509 9.509 8.218 1.291 18415 6748 1 9 . 1 1 107 107 ASN N N 107 124.433 124.433 124.847 -0.414 18415 6749 1 9 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.674 -0.124 18415 6750 1 9 . 1 1 107 107 ASN C C 107 173.919 173.919 173.940 -0.021 18415 6751 1 9 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.385 -0.776 18415 6752 1 9 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.398 0.612 18415 6753 1 9 . 1 1 107 107 ASN H H 107 8.329 8.329 8.748 -0.419 18415 6754 1 9 . 1 1 108 108 GLN N N 108 119.681 119.681 121.127 -1.446 18415 6755 1 9 . 1 1 108 108 GLN HA H 108 3.654 3.654 4.014 -0.360 18415 6756 1 9 . 1 1 108 108 GLN C C 108 175.060 175.060 174.433 0.627 18415 6757 1 9 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.075 0.530 18415 6758 1 9 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.419 -1.155 18415 6759 1 9 . 1 1 108 108 GLN H H 108 8.558 8.558 8.723 -0.165 18415 6760 1 9 . 1 1 109 109 ASP N N 109 109.712 109.712 113.431 -3.719 18415 6761 1 9 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.192 -0.215 18415 6762 1 9 . 1 1 109 109 ASP C C 109 174.354 174.354 174.387 -0.033 18415 6763 1 9 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.187 0.012 18415 6764 1 9 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.750 -0.724 18415 6765 1 9 . 1 1 109 109 ASP H H 109 8.199 8.199 8.592 -0.393 18415 6766 1 9 . 1 1 110 110 LYS N N 110 115.590 115.590 114.197 1.393 18415 6767 1 9 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.294 0.258 18415 6768 1 9 . 1 1 110 110 LYS C C 110 174.674 174.674 174.277 0.397 18415 6769 1 9 . 1 1 110 110 LYS CA C 110 55.469 55.469 53.889 1.580 18415 6770 1 9 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.116 0.473 18415 6771 1 9 . 1 1 110 110 LYS H H 110 7.081 7.081 6.841 0.240 18415 6772 1 9 . 1 1 111 111 TRP N N 111 122.248 122.248 120.564 1.684 18415 6773 1 9 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.043 0.030 18415 6774 1 9 . 1 1 111 111 TRP C C 111 175.920 175.920 176.370 -0.450 18415 6775 1 9 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.123 -0.935 18415 6776 1 9 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.404 0.466 18415 6777 1 9 . 1 1 111 111 TRP H H 111 8.650 8.650 8.238 0.412 18415 6778 1 9 . 1 1 112 112 ALA N N 112 124.184 124.184 123.468 0.716 18415 6779 1 9 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.422 -0.254 18415 6780 1 9 . 1 1 112 112 ALA C C 112 174.995 174.995 175.229 -0.234 18415 6781 1 9 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.432 0.883 18415 6782 1 9 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.763 -4.881 18415 6783 1 9 . 1 1 112 112 ALA H H 112 8.790 8.790 9.030 -0.240 18415 6784 1 9 . 1 1 113 113 TRP N N 113 118.725 118.725 119.874 -1.149 18415 6785 1 9 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.304 0.852 18415 6786 1 9 . 1 1 113 113 TRP C C 113 177.471 177.471 177.106 0.365 18415 6787 1 9 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.583 0.032 18415 6788 1 9 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.531 2.843 18415 6789 1 9 . 1 1 113 113 TRP H H 113 8.969 8.969 8.427 0.542 18415 6790 1 9 . 1 1 114 114 ASN N N 114 120.479 120.479 121.231 -0.752 18415 6791 1 9 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.277 0.213 18415 6792 1 9 . 1 1 114 114 ASN C C 114 174.708 174.708 173.972 0.736 18415 6793 1 9 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.866 -0.108 18415 6794 1 9 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.949 0.069 18415 6795 1 9 . 1 1 114 114 ASN H H 114 9.518 9.518 9.233 0.285 18415 6796 1 9 . 1 1 115 115 ASP N N 115 118.209 118.209 125.971 -7.762 18415 6797 1 9 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.876 0.995 18415 6798 1 9 . 1 1 115 115 ASP C C 115 174.291 174.291 175.567 -1.276 18415 6799 1 9 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.725 -2.538 18415 6800 1 9 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.106 -0.602 18415 6801 1 9 . 1 1 115 115 ASP H H 115 8.563 8.563 8.742 -0.179 18415 6802 1 9 . 1 1 116 116 VAL N N 116 118.669 118.669 117.539 1.130 18415 6803 1 9 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.764 0.131 18415 6804 1 9 . 1 1 116 116 VAL C C 116 172.334 172.334 173.357 -1.023 18415 6805 1 9 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.325 -0.044 18415 6806 1 9 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.752 -0.419 18415 6807 1 9 . 1 1 116 116 VAL H H 116 9.369 9.369 8.350 1.019 18415 6808 1 9 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.535 0.399 18415 6809 1 9 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.283 -0.207 18415 6810 1 9 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.714 0.645 18415 6811 1 9 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.473 -0.023 18415 6812 1 9 . 1 1 118 118 CYS C C 118 175.583 175.583 176.257 -0.674 18415 6813 1 9 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.301 -1.397 18415 6814 1 9 . 1 1 118 118 CYS CB C 118 43.841 43.841 27.452 16.389 18415 6815 1 9 . 1 1 119 119 ASN N N 119 117.251 117.251 118.226 -0.975 18415 6816 1 9 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.701 0.212 18415 6817 1 9 . 1 1 119 119 ASN C C 119 174.849 174.849 174.124 0.725 18415 6818 1 9 . 1 1 119 119 ASN CA C 119 53.142 53.142 52.822 0.320 18415 6819 1 9 . 1 1 119 119 ASN CB C 119 37.076 37.076 36.682 0.394 18415 6820 1 9 . 1 1 119 119 ASN H H 119 8.411 8.411 8.269 0.142 18415 6821 1 9 . 1 1 120 120 PHE N N 120 123.415 123.415 121.595 1.820 18415 6822 1 9 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.829 -0.283 18415 6823 1 9 . 1 1 120 120 PHE C C 120 173.156 173.156 174.844 -1.688 18415 6824 1 9 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.169 1.191 18415 6825 1 9 . 1 1 120 120 PHE CB C 120 40.449 40.449 42.316 -1.867 18415 6826 1 9 . 1 1 120 120 PHE H H 120 8.097 8.097 8.034 0.063 18415 6827 1 9 . 1 1 121 121 GLU N N 121 119.143 119.143 127.516 -8.373 18415 6828 1 9 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.301 0.252 18415 6829 1 9 . 1 1 121 121 GLU C C 121 174.732 174.732 175.400 -0.668 18415 6830 1 9 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.116 -2.528 18415 6831 1 9 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.055 1.365 18415 6832 1 9 . 1 1 121 121 GLU H H 121 7.012 7.012 8.615 -1.603 18415 6833 1 9 . 1 1 122 122 ALA N N 122 125.793 125.793 127.118 -1.325 18415 6834 1 9 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.455 0.016 18415 6835 1 9 . 1 1 122 122 ALA C C 122 177.616 177.616 175.435 2.181 18415 6836 1 9 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.602 0.641 18415 6837 1 9 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.045 -1.443 18415 6838 1 9 . 1 1 122 122 ALA H H 122 8.441 8.441 8.945 -0.504 18415 6839 1 9 . 1 1 123 123 SER N N 123 115.420 115.420 114.469 0.951 18415 6840 1 9 . 1 1 123 123 SER HA H 123 4.522 4.522 5.329 -0.807 18415 6841 1 9 . 1 1 123 123 SER C C 123 172.514 172.514 174.644 -2.130 18415 6842 1 9 . 1 1 123 123 SER CA C 123 60.661 60.661 57.365 3.296 18415 6843 1 9 . 1 1 123 123 SER CB C 123 62.943 62.943 64.044 -1.101 18415 6844 1 9 . 1 1 123 123 SER H H 123 7.716 7.716 8.048 -0.332 18415 6845 1 9 . 1 1 124 124 ARG N N 124 112.529 112.529 116.600 -4.071 18415 6846 1 9 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.037 0.453 18415 6847 1 9 . 1 1 124 124 ARG C C 124 173.779 173.779 174.273 -0.494 18415 6848 1 9 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.556 0.383 18415 6849 1 9 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.324 -1.399 18415 6850 1 9 . 1 1 124 124 ARG H H 124 8.840 8.840 8.262 0.578 18415 6851 1 9 . 1 1 125 125 ILE N N 125 116.525 116.525 122.676 -6.151 18415 6852 1 9 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.700 0.018 18415 6853 1 9 . 1 1 125 125 ILE C C 125 175.656 175.656 174.583 1.073 18415 6854 1 9 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.917 0.919 18415 6855 1 9 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.281 1.277 18415 6856 1 9 . 1 1 125 125 ILE H H 125 6.989 6.989 8.436 -1.447 18415 6857 1 9 . 1 1 126 126 CYS N N 126 123.910 123.910 128.319 -4.409 18415 6858 1 9 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.315 0.255 18415 6859 1 9 . 1 1 126 126 CYS C C 126 173.662 173.662 173.413 0.249 18415 6860 1 9 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.850 -5.010 18415 6861 1 9 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.578 10.563 18415 6862 1 9 . 1 1 126 126 CYS H H 126 8.288 8.288 9.143 -0.855 18415 6863 1 9 . 1 1 127 127 LYS N N 127 124.170 124.170 130.481 -6.311 18415 6864 1 9 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.551 0.068 18415 6865 1 9 . 1 1 127 127 LYS C C 127 174.637 174.637 174.705 -0.068 18415 6866 1 9 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.880 0.355 18415 6867 1 9 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.806 2.712 18415 6868 1 9 . 1 1 127 127 LYS H H 127 9.681 9.681 9.488 0.193 18415 6869 1 9 . 1 1 128 128 ILE N N 128 129.226 129.226 125.917 3.309 18415 6870 1 9 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.779 0.121 18415 6871 1 9 . 1 1 128 128 ILE C C 128 172.463 172.463 172.661 -0.198 18415 6872 1 9 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.249 1.135 18415 6873 1 9 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.370 1.518 18415 6874 1 9 . 1 1 128 128 ILE H H 128 9.205 9.205 9.247 -0.042 18415 6875 1 9 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.619 0.372 18415 6876 1 9 . 1 1 129 129 PRO C C 129 177.954 177.954 177.145 0.809 18415 6877 1 9 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.490 0.134 18415 6878 1 9 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.262 0.239 18415 6879 1 9 . 1 1 130 130 GLY N N 130 110.745 110.745 108.293 2.452 18415 6880 1 9 . 1 1 130 130 GLY C C 130 175.022 175.022 174.352 0.670 18415 6881 1 9 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.208 1.048 18415 6882 1 9 . 1 1 130 130 GLY H H 130 8.673 8.673 8.403 0.270 18415 6883 1 9 . 1 1 131 131 THR N N 131 112.246 112.246 115.765 -3.519 18415 6884 1 9 . 1 1 131 131 THR HA H 131 4.427 4.427 4.573 -0.146 18415 6885 1 9 . 1 1 131 131 THR C C 131 175.259 175.259 175.114 0.145 18415 6886 1 9 . 1 1 131 131 THR CA C 131 61.500 61.500 60.597 0.903 18415 6887 1 9 . 1 1 131 131 THR CB C 131 69.998 69.998 68.983 1.015 18415 6888 1 9 . 1 1 131 131 THR H H 131 7.870 7.870 8.102 -0.232 18415 6889 1 9 . 1 1 132 132 THR N N 132 116.455 116.455 119.014 -2.559 18415 6890 1 9 . 1 1 132 132 THR HA H 132 4.281 4.281 3.894 0.387 18415 6891 1 9 . 1 1 132 132 THR C C 132 174.867 174.867 174.761 0.106 18415 6892 1 9 . 1 1 132 132 THR CA C 132 62.453 62.453 66.716 -4.263 18415 6893 1 9 . 1 1 132 132 THR CB C 132 69.868 69.868 68.239 1.629 18415 6894 1 9 . 1 1 132 132 THR H H 132 8.120 8.120 7.917 0.203 18415 6895 1 9 . 1 1 133 133 LEU N N 133 124.001 124.001 117.675 6.326 18415 6896 1 9 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.163 0.099 18415 6897 1 9 . 1 1 133 133 LEU C C 133 177.365 177.365 177.937 -0.572 18415 6898 1 9 . 1 1 133 133 LEU CA C 133 55.747 55.747 57.098 -1.351 18415 6899 1 9 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.529 0.793 18415 6900 1 9 . 1 1 133 133 LEU H H 133 8.117 8.117 7.823 0.294 18415 6901 1 9 . 1 1 134 134 ASN N N 134 119.222 119.222 117.178 2.044 18415 6902 1 9 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.644 -0.023 18415 6903 1 9 . 1 1 134 134 ASN C C 134 175.725 175.725 176.641 -0.916 18415 6904 1 9 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.865 -1.240 18415 6905 1 9 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.554 -0.718 18415 6906 1 9 . 1 1 134 134 ASN H H 134 8.325 8.325 7.759 0.566 18415 6907 1 9 . 1 1 135 135 ALA N N 135 123.649 123.649 124.242 -0.593 18415 6908 1 9 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.608 -0.479 18415 6909 1 9 . 1 1 135 135 ALA C C 135 179.061 179.061 176.981 2.080 18415 6910 1 9 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.364 2.568 18415 6911 1 9 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.331 1.608 18415 6912 1 9 . 1 1 135 135 ALA H H 135 8.205 8.205 8.378 -0.173 18415 6913 1 9 . 1 1 136 136 GLU N N 136 119.187 119.187 120.443 -1.256 18415 6914 1 9 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.020 0.185 18415 6915 1 9 . 1 1 136 136 GLU C C 136 177.504 177.504 178.606 -1.102 18415 6916 1 9 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.236 -1.357 18415 6917 1 9 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.897 0.749 18415 6918 1 9 . 1 1 136 136 GLU H H 136 8.349 8.349 7.833 0.516 18415 6919 1 9 . 1 1 137 137 ASN N N 137 118.988 118.988 118.195 0.793 18415 6920 1 9 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.655 -0.018 18415 6921 1 9 . 1 1 137 137 ASN C C 137 176.785 176.785 177.520 -0.735 18415 6922 1 9 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.469 -0.995 18415 6923 1 9 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.434 0.275 18415 6924 1 9 . 1 1 137 137 ASN H H 137 8.259 8.259 8.301 -0.042 18415 6925 1 9 . 1 1 138 138 LEU N N 138 121.438 121.438 121.997 -0.559 18415 6926 1 9 . 1 1 138 138 LEU HA H 138 4.135 4.135 3.998 0.137 18415 6927 1 9 . 1 1 138 138 LEU C C 138 178.872 178.872 178.117 0.755 18415 6928 1 9 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.052 -1.125 18415 6929 1 9 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.178 -0.177 18415 6930 1 9 . 1 1 138 138 LEU H H 138 8.084 8.084 7.672 0.412 18415 6931 1 9 . 1 1 139 139 TYR N N 139 120.558 120.558 117.682 2.876 18415 6932 1 9 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.216 0.070 18415 6933 1 9 . 1 1 139 139 TYR C C 139 177.587 177.587 177.699 -0.112 18415 6934 1 9 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.651 -0.506 18415 6935 1 9 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.795 -0.429 18415 6936 1 9 . 1 1 139 139 TYR H H 139 8.130 8.130 8.238 -0.108 18415 6937 1 9 . 1 1 140 140 PHE N N 140 120.508 120.508 119.962 0.546 18415 6938 1 9 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.331 0.024 18415 6939 1 9 . 1 1 140 140 PHE C C 140 177.425 177.425 176.521 0.904 18415 6940 1 9 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.398 -0.768 18415 6941 1 9 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.510 -0.258 18415 6942 1 9 . 1 1 140 140 PHE H H 140 8.275 8.275 7.975 0.300 18415 6943 1 9 . 1 1 141 141 GLN N N 141 119.274 119.274 117.721 1.553 18415 6944 1 9 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.251 -0.138 18415 6945 1 9 . 1 1 141 141 GLN C C 141 176.976 176.976 175.721 1.255 18415 6946 1 9 . 1 1 141 141 GLN CA C 141 57.363 57.363 55.928 1.435 18415 6947 1 9 . 1 1 141 141 GLN CB C 141 29.028 29.028 28.969 0.059 18415 6948 1 9 . 1 1 141 141 GLN H H 141 8.250 8.250 7.710 0.540 18415 6949 1 10 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.110 -0.323 18415 6950 1 10 . 1 1 2 2 VAL C C 2 172.250 172.250 174.342 -2.092 18415 6951 1 10 . 1 1 2 2 VAL CA C 2 61.294 61.294 61.145 0.149 18415 6952 1 10 . 1 1 2 2 VAL CB C 2 33.708 33.708 32.782 0.926 18415 6953 1 10 . 1 1 3 3 CYS N N 3 121.988 121.988 123.191 -1.203 18415 6954 1 10 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.402 0.803 18415 6955 1 10 . 1 1 3 3 CYS C C 3 171.993 171.993 172.991 -0.998 18415 6956 1 10 . 1 1 3 3 CYS CA C 3 52.044 52.044 57.578 -5.534 18415 6957 1 10 . 1 1 3 3 CYS CB C 3 39.461 39.461 27.450 12.011 18415 6958 1 10 . 1 1 3 3 CYS H H 3 8.628 8.628 8.204 0.424 18415 6959 1 10 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.852 -0.029 18415 6960 1 10 . 1 1 5 5 ILE C C 5 176.622 176.622 176.830 -0.208 18415 6961 1 10 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.955 0.346 18415 6962 1 10 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.996 0.048 18415 6963 1 10 . 1 1 6 6 ASP N N 6 117.894 117.894 120.622 -2.728 18415 6964 1 10 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.491 -0.147 18415 6965 1 10 . 1 1 6 6 ASP H H 6 8.606 8.606 8.333 0.273 18415 6966 1 10 . 1 1 7 7 TRP N N 7 120.564 120.564 119.689 0.875 18415 6967 1 10 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.691 -0.001 18415 6968 1 10 . 1 1 7 7 TRP C C 7 176.415 176.415 176.992 -0.577 18415 6969 1 10 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.309 -0.271 18415 6970 1 10 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.586 -0.815 18415 6971 1 10 . 1 1 7 7 TRP H H 7 8.208 8.208 7.612 0.596 18415 6972 1 10 . 1 1 8 8 ARG N N 8 119.872 119.872 122.304 -2.432 18415 6973 1 10 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.461 0.225 18415 6974 1 10 . 1 1 8 8 ARG C C 8 176.146 176.146 175.801 0.345 18415 6975 1 10 . 1 1 8 8 ARG CA C 8 53.941 53.941 53.770 0.171 18415 6976 1 10 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.299 1.264 18415 6977 1 10 . 1 1 8 8 ARG H H 8 9.456 9.456 9.016 0.440 18415 6978 1 10 . 1 1 9 9 ALA N N 9 127.265 127.265 128.054 -0.789 18415 6979 1 10 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.339 0.052 18415 6980 1 10 . 1 1 9 9 ALA C C 9 176.927 176.927 176.549 0.378 18415 6981 1 10 . 1 1 9 9 ALA CA C 9 52.010 52.010 50.791 1.220 18415 6982 1 10 . 1 1 9 9 ALA CB C 9 22.663 22.663 20.506 2.158 18415 6983 1 10 . 1 1 9 9 ALA H H 9 8.819 8.819 8.585 0.234 18415 6984 1 10 . 1 1 10 10 PHE N N 10 120.450 120.450 126.691 -6.241 18415 6985 1 10 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.774 -0.580 18415 6986 1 10 . 1 1 10 10 PHE C C 10 174.606 174.606 175.328 -0.722 18415 6987 1 10 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.201 1.325 18415 6988 1 10 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.322 -0.461 18415 6989 1 10 . 1 1 10 10 PHE H H 10 8.202 8.202 9.169 -0.967 18415 6990 1 10 . 1 1 11 11 GLN N N 11 126.391 126.391 124.669 1.722 18415 6991 1 10 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.623 -0.162 18415 6992 1 10 . 1 1 11 11 GLN C C 11 175.859 175.859 175.791 0.068 18415 6993 1 10 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.945 -0.693 18415 6994 1 10 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.442 -1.480 18415 6995 1 10 . 1 1 11 11 GLN H H 11 8.872 8.872 8.892 -0.020 18415 6996 1 10 . 1 1 12 12 SER N N 12 113.087 113.087 111.780 1.307 18415 6997 1 10 . 1 1 12 12 SER HA H 12 4.252 4.252 4.500 -0.248 18415 6998 1 10 . 1 1 12 12 SER C C 12 173.339 173.339 173.471 -0.132 18415 6999 1 10 . 1 1 12 12 SER CA C 12 59.795 59.795 59.289 0.506 18415 7000 1 10 . 1 1 12 12 SER CB C 12 62.943 62.943 66.214 -3.271 18415 7001 1 10 . 1 1 12 12 SER H H 12 8.189 8.189 8.394 -0.205 18415 7002 1 10 . 1 1 13 13 ASN N N 13 118.336 118.336 121.669 -3.333 18415 7003 1 10 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.882 0.374 18415 7004 1 10 . 1 1 13 13 ASN C C 13 174.330 174.330 173.973 0.357 18415 7005 1 10 . 1 1 13 13 ASN CA C 13 52.342 52.342 53.002 -0.659 18415 7006 1 10 . 1 1 13 13 ASN CB C 13 43.458 43.458 39.646 3.812 18415 7007 1 10 . 1 1 13 13 ASN H H 13 8.242 8.242 7.825 0.417 18415 7008 1 10 . 1 1 14 14 CYS N N 14 118.315 118.315 118.051 0.264 18415 7009 1 10 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.768 0.093 18415 7010 1 10 . 1 1 14 14 CYS C C 14 174.314 174.314 174.052 0.262 18415 7011 1 10 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.606 -3.921 18415 7012 1 10 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.443 14.576 18415 7013 1 10 . 1 1 14 14 CYS H H 14 8.592 8.592 8.789 -0.197 18415 7014 1 10 . 1 1 15 15 TYR N N 15 121.588 121.588 120.121 1.467 18415 7015 1 10 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.614 0.163 18415 7016 1 10 . 1 1 15 15 TYR C C 15 176.333 176.333 174.201 2.132 18415 7017 1 10 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.735 1.881 18415 7018 1 10 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.838 2.745 18415 7019 1 10 . 1 1 15 15 TYR H H 15 9.947 9.947 9.507 0.440 18415 7020 1 10 . 1 1 16 16 PHE N N 16 121.989 121.989 122.087 -0.098 18415 7021 1 10 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.706 0.205 18415 7022 1 10 . 1 1 16 16 PHE C C 16 172.937 172.937 172.675 0.262 18415 7023 1 10 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.477 -1.079 18415 7024 1 10 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.359 -2.289 18415 7025 1 10 . 1 1 16 16 PHE H H 16 8.717 8.717 9.262 -0.545 18415 7026 1 10 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.808 0.308 18415 7027 1 10 . 1 1 17 17 PRO C C 17 175.445 175.445 175.047 0.398 18415 7028 1 10 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.845 -0.357 18415 7029 1 10 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.329 -0.338 18415 7030 1 10 . 1 1 18 18 LEU N N 18 126.062 126.062 125.673 0.389 18415 7031 1 10 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.567 0.114 18415 7032 1 10 . 1 1 18 18 LEU C C 18 177.391 177.391 177.757 -0.366 18415 7033 1 10 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.648 1.712 18415 7034 1 10 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.026 2.456 18415 7035 1 10 . 1 1 18 18 LEU H H 18 9.054 9.054 9.113 -0.059 18415 7036 1 10 . 1 1 19 19 THR N N 19 109.256 109.256 112.056 -2.800 18415 7037 1 10 . 1 1 19 19 THR HA H 19 4.612 4.612 4.334 0.278 18415 7038 1 10 . 1 1 19 19 THR C C 19 175.613 175.613 173.894 1.719 18415 7039 1 10 . 1 1 19 19 THR CA C 19 62.236 62.236 61.691 0.545 18415 7040 1 10 . 1 1 19 19 THR CB C 19 69.530 69.530 69.356 0.174 18415 7041 1 10 . 1 1 19 19 THR H H 19 8.303 8.303 8.614 -0.311 18415 7042 1 10 . 1 1 20 20 ASP N N 20 121.645 121.645 120.946 0.699 18415 7043 1 10 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.549 -0.092 18415 7044 1 10 . 1 1 20 20 ASP C C 20 174.684 174.684 175.095 -0.411 18415 7045 1 10 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.346 -0.228 18415 7046 1 10 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.775 -1.706 18415 7047 1 10 . 1 1 20 20 ASP H H 20 8.834 8.834 7.920 0.914 18415 7048 1 10 . 1 1 21 21 ASN N N 21 118.648 118.648 120.548 -1.900 18415 7049 1 10 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.857 -0.211 18415 7050 1 10 . 1 1 21 21 ASN C C 21 176.542 176.542 174.928 1.614 18415 7051 1 10 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.550 -0.097 18415 7052 1 10 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.746 0.707 18415 7053 1 10 . 1 1 21 21 ASN H H 21 8.113 8.113 8.569 -0.456 18415 7054 1 10 . 1 1 22 22 LYS N N 22 122.470 122.470 124.288 -1.818 18415 7055 1 10 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.804 0.052 18415 7056 1 10 . 1 1 22 22 LYS C C 22 176.711 176.711 175.846 0.865 18415 7057 1 10 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.473 2.192 18415 7058 1 10 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.089 2.450 18415 7059 1 10 . 1 1 22 22 LYS H H 22 8.794 8.794 8.917 -0.123 18415 7060 1 10 . 1 1 23 23 THR N N 23 109.009 109.009 114.125 -5.116 18415 7061 1 10 . 1 1 23 23 THR HA H 23 5.647 5.647 4.965 0.682 18415 7062 1 10 . 1 1 23 23 THR C C 23 178.411 178.411 176.051 2.360 18415 7063 1 10 . 1 1 23 23 THR CA C 23 61.773 61.773 61.097 0.676 18415 7064 1 10 . 1 1 23 23 THR CB C 23 71.820 71.820 69.677 2.143 18415 7065 1 10 . 1 1 23 23 THR H H 23 8.250 8.250 8.372 -0.122 18415 7066 1 10 . 1 1 24 24 TRP N N 24 126.345 126.345 123.599 2.746 18415 7067 1 10 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.521 -0.491 18415 7068 1 10 . 1 1 24 24 TRP C C 24 178.204 178.204 176.844 1.360 18415 7069 1 10 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.493 2.088 18415 7070 1 10 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.265 1.389 18415 7071 1 10 . 1 1 24 24 TRP H H 24 8.279 8.279 8.868 -0.589 18415 7072 1 10 . 1 1 25 25 ALA N N 25 119.965 119.965 122.041 -2.076 18415 7073 1 10 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.310 -0.362 18415 7074 1 10 . 1 1 25 25 ALA C C 25 182.089 182.089 179.819 2.270 18415 7075 1 10 . 1 1 25 25 ALA CA C 25 55.890 55.890 54.677 1.213 18415 7076 1 10 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.077 0.178 18415 7077 1 10 . 1 1 25 25 ALA H H 25 9.634 9.634 8.039 1.595 18415 7078 1 10 . 1 1 26 26 GLU N N 26 116.492 116.492 118.304 -1.812 18415 7079 1 10 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.976 0.087 18415 7080 1 10 . 1 1 26 26 GLU C C 26 179.756 179.756 179.273 0.483 18415 7081 1 10 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.784 -0.489 18415 7082 1 10 . 1 1 26 26 GLU CB C 26 30.483 30.483 28.949 1.534 18415 7083 1 10 . 1 1 26 26 GLU H H 26 7.392 7.392 8.200 -0.808 18415 7084 1 10 . 1 1 27 27 SER N N 27 121.197 121.197 115.806 5.391 18415 7085 1 10 . 1 1 27 27 SER HA H 27 3.855 3.855 4.031 -0.176 18415 7086 1 10 . 1 1 27 27 SER C C 27 174.299 174.299 176.050 -1.751 18415 7087 1 10 . 1 1 27 27 SER CA C 27 63.344 63.344 62.626 0.718 18415 7088 1 10 . 1 1 27 27 SER CB C 27 62.329 62.329 62.779 -0.450 18415 7089 1 10 . 1 1 27 27 SER H H 27 8.596 8.596 8.415 0.181 18415 7090 1 10 . 1 1 28 28 GLU N N 28 124.173 124.173 120.453 3.720 18415 7091 1 10 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.879 0.389 18415 7092 1 10 . 1 1 28 28 GLU C C 28 178.856 178.856 178.357 0.499 18415 7093 1 10 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.664 -0.465 18415 7094 1 10 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.899 -1.999 18415 7095 1 10 . 1 1 28 28 GLU H H 28 8.133 8.133 7.944 0.189 18415 7096 1 10 . 1 1 29 29 ARG N N 29 120.498 120.498 119.235 1.263 18415 7097 1 10 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.079 -0.036 18415 7098 1 10 . 1 1 29 29 ARG C C 29 179.339 179.339 178.634 0.705 18415 7099 1 10 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.364 0.327 18415 7100 1 10 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.348 -0.113 18415 7101 1 10 . 1 1 29 29 ARG H H 29 7.962 7.962 7.984 -0.022 18415 7102 1 10 . 1 1 30 30 ASN N N 30 119.000 119.000 117.497 1.503 18415 7103 1 10 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.571 -0.124 18415 7104 1 10 . 1 1 30 30 ASN C C 30 178.153 178.153 175.742 2.411 18415 7105 1 10 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.093 2.557 18415 7106 1 10 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.430 1.006 18415 7107 1 10 . 1 1 30 30 ASN H H 30 7.960 7.960 7.989 -0.029 18415 7108 1 10 . 1 1 31 31 CYS N N 31 116.301 116.301 116.847 -0.546 18415 7109 1 10 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.613 -0.132 18415 7110 1 10 . 1 1 31 31 CYS C C 31 178.072 178.072 175.384 2.688 18415 7111 1 10 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.632 -3.222 18415 7112 1 10 . 1 1 31 31 CYS CB C 31 34.709 34.709 27.646 7.063 18415 7113 1 10 . 1 1 31 31 CYS H H 31 8.477 8.477 7.947 0.530 18415 7114 1 10 . 1 1 32 32 SER N N 32 119.834 119.834 114.382 5.452 18415 7115 1 10 . 1 1 32 32 SER HA H 32 4.700 4.700 4.104 0.596 18415 7116 1 10 . 1 1 32 32 SER C C 32 179.062 179.062 176.330 2.732 18415 7117 1 10 . 1 1 32 32 SER CA C 32 61.663 61.663 61.068 0.595 18415 7118 1 10 . 1 1 32 32 SER CB C 32 62.655 62.655 62.009 0.646 18415 7119 1 10 . 1 1 32 32 SER H H 32 9.206 9.206 8.696 0.510 18415 7120 1 10 . 1 1 33 33 GLY N N 33 111.632 111.632 110.450 1.182 18415 7121 1 10 . 1 1 33 33 GLY C C 33 174.861 174.861 175.064 -0.203 18415 7122 1 10 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.257 -0.590 18415 7123 1 10 . 1 1 33 33 GLY H H 33 8.053 8.053 8.211 -0.158 18415 7124 1 10 . 1 1 34 34 MET N N 34 116.998 116.998 119.742 -2.744 18415 7125 1 10 . 1 1 34 34 MET HA H 34 4.596 4.596 4.369 0.227 18415 7126 1 10 . 1 1 34 34 MET C C 34 175.356 175.356 176.304 -0.948 18415 7127 1 10 . 1 1 34 34 MET CA C 34 54.887 54.887 55.014 -0.127 18415 7128 1 10 . 1 1 34 34 MET CB C 34 33.959 33.959 32.513 1.446 18415 7129 1 10 . 1 1 34 34 MET H H 34 7.441 7.441 7.962 -0.521 18415 7130 1 10 . 1 1 35 35 GLY N N 35 106.474 106.474 107.693 -1.219 18415 7131 1 10 . 1 1 35 35 GLY C C 35 173.112 173.112 173.124 -0.012 18415 7132 1 10 . 1 1 35 35 GLY CA C 35 45.401 45.401 44.834 0.567 18415 7133 1 10 . 1 1 35 35 GLY H H 35 7.807 7.807 7.769 0.038 18415 7134 1 10 . 1 1 36 36 ALA N N 36 121.833 121.833 118.957 2.876 18415 7135 1 10 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.667 0.035 18415 7136 1 10 . 1 1 36 36 ALA C C 36 174.285 174.285 174.508 -0.223 18415 7137 1 10 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.124 -1.403 18415 7138 1 10 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.878 2.784 18415 7139 1 10 . 1 1 36 36 ALA H H 36 7.693 7.693 7.345 0.348 18415 7140 1 10 . 1 1 37 37 HIS N N 37 111.683 111.683 114.539 -2.856 18415 7141 1 10 . 1 1 37 37 HIS HA H 37 5.131 5.131 4.977 0.154 18415 7142 1 10 . 1 1 37 37 HIS C C 37 175.351 175.351 174.431 0.920 18415 7143 1 10 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.027 -0.454 18415 7144 1 10 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.024 0.947 18415 7145 1 10 . 1 1 37 37 HIS H H 37 8.078 8.078 8.581 -0.503 18415 7146 1 10 . 1 1 38 38 LEU N N 38 123.260 123.260 121.620 1.640 18415 7147 1 10 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.757 0.016 18415 7148 1 10 . 1 1 38 38 LEU C C 38 179.180 179.180 178.246 0.934 18415 7149 1 10 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.495 0.871 18415 7150 1 10 . 1 1 38 38 LEU CB C 38 43.656 43.656 41.981 1.675 18415 7151 1 10 . 1 1 38 38 LEU H H 38 9.964 9.964 8.805 1.159 18415 7152 1 10 . 1 1 39 39 MET N N 39 119.511 119.511 125.317 -5.806 18415 7153 1 10 . 1 1 39 39 MET HA H 39 3.855 3.855 4.430 -0.575 18415 7154 1 10 . 1 1 39 39 MET C C 39 174.874 174.874 175.695 -0.821 18415 7155 1 10 . 1 1 39 39 MET CA C 39 58.789 58.789 56.707 2.082 18415 7156 1 10 . 1 1 39 39 MET CB C 39 34.405 34.405 32.711 1.694 18415 7157 1 10 . 1 1 39 39 MET H H 39 8.409 8.409 8.595 -0.186 18415 7158 1 10 . 1 1 40 40 THR N N 40 123.771 123.771 120.575 3.196 18415 7159 1 10 . 1 1 40 40 THR HA H 40 4.013 4.013 4.950 -0.937 18415 7160 1 10 . 1 1 40 40 THR C C 40 172.936 172.936 174.264 -1.328 18415 7161 1 10 . 1 1 40 40 THR CA C 40 59.869 59.869 60.525 -0.656 18415 7162 1 10 . 1 1 40 40 THR CB C 40 70.587 70.587 67.526 3.061 18415 7163 1 10 . 1 1 40 40 THR H H 40 6.822 6.822 8.338 -1.516 18415 7164 1 10 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.239 0.010 18415 7165 1 10 . 1 1 41 41 ILE C C 41 174.349 174.349 176.543 -2.194 18415 7166 1 10 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.684 -2.927 18415 7167 1 10 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.285 1.286 18415 7168 1 10 . 1 1 42 42 SER N N 42 122.113 122.113 123.884 -1.771 18415 7169 1 10 . 1 1 42 42 SER HA H 42 4.647 4.647 4.570 0.077 18415 7170 1 10 . 1 1 42 42 SER C C 42 174.502 174.502 174.079 0.423 18415 7171 1 10 . 1 1 42 42 SER CA C 42 59.768 59.768 59.845 -0.077 18415 7172 1 10 . 1 1 42 42 SER CB C 42 64.720 64.720 64.610 0.110 18415 7173 1 10 . 1 1 42 42 SER H H 42 9.230 9.230 9.674 -0.444 18415 7174 1 10 . 1 1 43 43 THR N N 43 108.516 108.516 114.987 -6.471 18415 7175 1 10 . 1 1 43 43 THR HA H 43 4.807 4.807 4.724 0.083 18415 7176 1 10 . 1 1 43 43 THR C C 43 173.812 173.812 174.172 -0.360 18415 7177 1 10 . 1 1 43 43 THR CA C 43 59.249 59.249 59.616 -0.367 18415 7178 1 10 . 1 1 43 43 THR CB C 43 73.128 73.128 70.590 2.538 18415 7179 1 10 . 1 1 43 43 THR H H 43 7.559 7.559 7.723 -0.164 18415 7180 1 10 . 1 1 44 44 GLU N N 44 123.057 123.057 125.879 -2.822 18415 7181 1 10 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.336 -0.887 18415 7182 1 10 . 1 1 44 44 GLU C C 44 178.262 178.262 178.147 0.115 18415 7183 1 10 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.424 -1.095 18415 7184 1 10 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.649 -0.207 18415 7185 1 10 . 1 1 44 44 GLU H H 44 9.377 9.377 9.193 0.184 18415 7186 1 10 . 1 1 45 45 ALA N N 45 119.910 119.910 121.663 -1.753 18415 7187 1 10 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.193 -0.143 18415 7188 1 10 . 1 1 45 45 ALA C C 45 180.096 180.096 179.137 0.959 18415 7189 1 10 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.359 -0.179 18415 7190 1 10 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.396 -0.129 18415 7191 1 10 . 1 1 45 45 ALA H H 45 8.328 8.328 7.849 0.479 18415 7192 1 10 . 1 1 46 46 GLU N N 46 118.861 118.861 118.879 -0.018 18415 7193 1 10 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.282 0.330 18415 7194 1 10 . 1 1 46 46 GLU C C 46 177.452 177.452 178.297 -0.845 18415 7195 1 10 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.376 -0.091 18415 7196 1 10 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.244 1.269 18415 7197 1 10 . 1 1 46 46 GLU H H 46 7.852 7.852 7.606 0.246 18415 7198 1 10 . 1 1 47 47 GLN N N 47 119.473 119.473 119.087 0.386 18415 7199 1 10 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.848 -0.161 18415 7200 1 10 . 1 1 47 47 GLN C C 47 176.429 176.429 178.042 -1.613 18415 7201 1 10 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.898 1.010 18415 7202 1 10 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.430 1.546 18415 7203 1 10 . 1 1 47 47 GLN H H 47 7.054 7.054 7.727 -0.673 18415 7204 1 10 . 1 1 48 48 ASN N N 48 115.182 115.182 117.624 -2.442 18415 7205 1 10 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.348 -0.135 18415 7206 1 10 . 1 1 48 48 ASN C C 48 176.986 176.986 177.014 -0.028 18415 7207 1 10 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.003 -0.974 18415 7208 1 10 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.609 -1.051 18415 7209 1 10 . 1 1 48 48 ASN H H 48 8.416 8.416 7.901 0.515 18415 7210 1 10 . 1 1 49 49 PHE N N 49 118.413 118.413 117.795 0.618 18415 7211 1 10 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.362 -0.383 18415 7212 1 10 . 1 1 49 49 PHE C C 49 177.254 177.254 177.349 -0.095 18415 7213 1 10 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.575 -0.414 18415 7214 1 10 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.130 -1.047 18415 7215 1 10 . 1 1 49 49 PHE H H 49 7.473 7.473 7.628 -0.155 18415 7216 1 10 . 1 1 50 50 ILE N N 50 117.601 117.601 122.288 -4.687 18415 7217 1 10 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.824 -0.283 18415 7218 1 10 . 1 1 50 50 ILE C C 50 176.891 176.891 176.274 0.617 18415 7219 1 10 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.363 -2.711 18415 7220 1 10 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.830 1.379 18415 7221 1 10 . 1 1 50 50 ILE H H 50 7.020 7.020 8.019 -0.999 18415 7222 1 10 . 1 1 51 51 ILE N N 51 114.824 114.824 114.966 -0.142 18415 7223 1 10 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.987 -0.094 18415 7224 1 10 . 1 1 51 51 ILE C C 51 177.092 177.092 176.480 0.612 18415 7225 1 10 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.721 1.483 18415 7226 1 10 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.314 0.606 18415 7227 1 10 . 1 1 51 51 ILE H H 51 7.216 7.216 7.298 -0.082 18415 7228 1 10 . 1 1 52 52 GLN N N 52 116.767 116.767 117.848 -1.081 18415 7229 1 10 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.906 -0.136 18415 7230 1 10 . 1 1 52 52 GLN C C 52 176.442 176.442 176.780 -0.338 18415 7231 1 10 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.435 -0.165 18415 7232 1 10 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.819 0.202 18415 7233 1 10 . 1 1 52 52 GLN H H 52 6.416 6.416 7.099 -0.683 18415 7234 1 10 . 1 1 53 53 PHE N N 53 115.400 115.400 116.477 -1.077 18415 7235 1 10 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.360 0.217 18415 7236 1 10 . 1 1 53 53 PHE C C 53 174.993 174.993 175.811 -0.818 18415 7237 1 10 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.015 -2.120 18415 7238 1 10 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.982 -0.449 18415 7239 1 10 . 1 1 53 53 PHE H H 53 7.216 7.216 7.230 -0.014 18415 7240 1 10 . 1 1 54 54 LEU N N 54 118.096 118.096 119.969 -1.873 18415 7241 1 10 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.889 0.202 18415 7242 1 10 . 1 1 54 54 LEU C C 54 175.467 175.467 176.324 -0.857 18415 7243 1 10 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.928 -0.357 18415 7244 1 10 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.305 0.402 18415 7245 1 10 . 1 1 54 54 LEU H H 54 6.668 6.668 7.279 -0.611 18415 7246 1 10 . 1 1 55 55 ASP N N 55 123.723 123.723 123.767 -0.044 18415 7247 1 10 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.527 0.288 18415 7248 1 10 . 1 1 55 55 ASP C C 55 177.896 177.896 177.022 0.874 18415 7249 1 10 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.883 -1.785 18415 7250 1 10 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.347 0.315 18415 7251 1 10 . 1 1 55 55 ASP H H 55 8.687 8.687 8.213 0.474 18415 7252 1 10 . 1 1 56 56 ARG N N 56 124.370 124.370 126.256 -1.886 18415 7253 1 10 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.123 0.187 18415 7254 1 10 . 1 1 56 56 ARG C C 56 178.201 178.201 175.467 2.734 18415 7255 1 10 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.678 2.280 18415 7256 1 10 . 1 1 56 56 ARG CB C 56 30.578 30.578 27.846 2.732 18415 7257 1 10 . 1 1 56 56 ARG H H 56 8.758 8.758 8.714 0.044 18415 7258 1 10 . 1 1 57 57 ARG N N 57 120.411 120.411 116.823 3.588 18415 7259 1 10 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.295 -0.001 18415 7260 1 10 . 1 1 57 57 ARG C C 57 177.064 177.064 175.097 1.967 18415 7261 1 10 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.334 1.198 18415 7262 1 10 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.421 -1.729 18415 7263 1 10 . 1 1 57 57 ARG H H 57 9.150 9.150 8.458 0.692 18415 7264 1 10 . 1 1 58 58 LEU N N 58 119.445 119.445 122.013 -2.568 18415 7265 1 10 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.512 0.192 18415 7266 1 10 . 1 1 58 58 LEU C C 58 176.450 176.450 175.795 0.655 18415 7267 1 10 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.957 0.322 18415 7268 1 10 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.904 0.354 18415 7269 1 10 . 1 1 58 58 LEU H H 58 8.328 8.328 7.637 0.691 18415 7270 1 10 . 1 1 59 59 SER N N 59 116.536 116.536 114.084 2.452 18415 7271 1 10 . 1 1 59 59 SER HA H 59 5.505 5.505 5.081 0.424 18415 7272 1 10 . 1 1 59 59 SER C C 59 173.263 173.263 172.960 0.303 18415 7273 1 10 . 1 1 59 59 SER CA C 59 57.199 57.199 57.127 0.072 18415 7274 1 10 . 1 1 59 59 SER CB C 59 65.064 65.064 64.761 0.303 18415 7275 1 10 . 1 1 59 59 SER H H 59 8.470 8.470 8.486 -0.016 18415 7276 1 10 . 1 1 60 60 TYR N N 60 120.274 120.274 123.131 -2.857 18415 7277 1 10 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.761 -0.484 18415 7278 1 10 . 1 1 60 60 TYR C C 60 175.560 175.560 175.303 0.257 18415 7279 1 10 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.590 -0.118 18415 7280 1 10 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.675 1.833 18415 7281 1 10 . 1 1 60 60 TYR H H 60 8.897 8.897 9.362 -0.465 18415 7282 1 10 . 1 1 61 61 PHE N N 61 123.635 123.635 122.818 0.817 18415 7283 1 10 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.553 0.735 18415 7284 1 10 . 1 1 61 61 PHE C C 61 175.433 175.433 175.410 0.023 18415 7285 1 10 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.830 0.245 18415 7286 1 10 . 1 1 61 61 PHE CB C 61 40.869 40.869 38.827 2.042 18415 7287 1 10 . 1 1 61 61 PHE H H 61 9.521 9.521 9.041 0.480 18415 7288 1 10 . 1 1 62 62 LEU N N 62 114.382 114.382 122.471 -8.089 18415 7289 1 10 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.682 0.391 18415 7290 1 10 . 1 1 62 62 LEU C C 62 179.521 179.521 177.559 1.962 18415 7291 1 10 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.546 -1.763 18415 7292 1 10 . 1 1 62 62 LEU CB C 62 46.276 46.276 43.745 2.531 18415 7293 1 10 . 1 1 62 62 LEU H H 62 8.394 8.394 8.041 0.353 18415 7294 1 10 . 1 1 63 63 GLY N N 63 106.675 106.675 108.722 -2.047 18415 7295 1 10 . 1 1 63 63 GLY C C 63 172.404 172.404 173.176 -0.772 18415 7296 1 10 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.557 2.836 18415 7297 1 10 . 1 1 63 63 GLY H H 63 9.253 9.253 8.786 0.467 18415 7298 1 10 . 1 1 64 64 LEU N N 64 124.754 124.754 120.708 4.046 18415 7299 1 10 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.819 -0.235 18415 7300 1 10 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.255 1.047 18415 7301 1 10 . 1 1 64 64 LEU CB C 64 43.272 43.272 44.237 -0.965 18415 7302 1 10 . 1 1 64 64 LEU H H 64 6.840 6.840 7.928 -1.088 18415 7303 1 10 . 1 1 65 65 ARG N N 65 124.476 124.476 123.232 1.244 18415 7304 1 10 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.002 1.158 18415 7305 1 10 . 1 1 65 65 ARG C C 65 174.245 174.245 173.620 0.625 18415 7306 1 10 . 1 1 65 65 ARG CA C 65 54.904 54.904 53.938 0.966 18415 7307 1 10 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.393 1.138 18415 7308 1 10 . 1 1 65 65 ARG H H 65 8.218 8.218 8.586 -0.368 18415 7309 1 10 . 1 1 66 66 ASP N N 66 126.754 126.754 124.835 1.919 18415 7310 1 10 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.319 0.110 18415 7311 1 10 . 1 1 66 66 ASP C C 66 176.516 176.516 174.071 2.445 18415 7312 1 10 . 1 1 66 66 ASP CA C 66 51.854 51.854 51.692 0.162 18415 7313 1 10 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.253 -3.485 18415 7314 1 10 . 1 1 66 66 ASP H H 66 8.756 8.756 8.274 0.482 18415 7315 1 10 . 1 1 67 67 GLU N N 67 123.390 123.390 123.191 0.199 18415 7316 1 10 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.323 -0.547 18415 7317 1 10 . 1 1 67 67 GLU C C 67 175.648 175.648 175.519 0.129 18415 7318 1 10 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.887 2.961 18415 7319 1 10 . 1 1 67 67 GLU CB C 67 30.316 30.316 31.468 -1.152 18415 7320 1 10 . 1 1 67 67 GLU H H 67 8.488 8.488 8.290 0.198 18415 7321 1 10 . 1 1 68 68 ASN N N 68 114.882 114.882 124.597 -9.715 18415 7322 1 10 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.262 0.402 18415 7323 1 10 . 1 1 68 68 ASN C C 68 174.482 174.482 173.756 0.726 18415 7324 1 10 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.310 -1.396 18415 7325 1 10 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.614 1.798 18415 7326 1 10 . 1 1 68 68 ASN H H 68 8.336 8.336 9.381 -1.045 18415 7327 1 10 . 1 1 69 69 ALA N N 69 118.915 118.915 117.714 1.201 18415 7328 1 10 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.120 -0.246 18415 7329 1 10 . 1 1 69 69 ALA C C 69 177.082 177.082 176.605 0.477 18415 7330 1 10 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.971 0.661 18415 7331 1 10 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.641 -0.470 18415 7332 1 10 . 1 1 69 69 ALA H H 69 7.444 7.444 7.958 -0.514 18415 7333 1 10 . 1 1 70 70 LYS N N 70 117.439 117.439 122.863 -5.424 18415 7334 1 10 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.490 -0.172 18415 7335 1 10 . 1 1 70 70 LYS C C 70 177.726 177.726 177.062 0.664 18415 7336 1 10 . 1 1 70 70 LYS CA C 70 55.423 55.423 54.953 0.470 18415 7337 1 10 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.885 -1.149 18415 7338 1 10 . 1 1 70 70 LYS H H 70 7.925 7.925 8.574 -0.649 18415 7339 1 10 . 1 1 71 71 GLY C C 71 175.127 175.127 173.996 1.131 18415 7340 1 10 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.589 0.085 18415 7341 1 10 . 1 1 72 72 GLN N N 72 124.084 124.084 118.683 5.401 18415 7342 1 10 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.552 -0.161 18415 7343 1 10 . 1 1 72 72 GLN C C 72 174.283 174.283 175.117 -0.834 18415 7344 1 10 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.901 -0.744 18415 7345 1 10 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.512 -0.880 18415 7346 1 10 . 1 1 72 72 GLN H H 72 7.749 7.749 7.844 -0.095 18415 7347 1 10 . 1 1 73 73 TRP N N 73 121.803 121.803 124.544 -2.741 18415 7348 1 10 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.611 -0.706 18415 7349 1 10 . 1 1 73 73 TRP C C 73 175.776 175.776 176.029 -0.253 18415 7350 1 10 . 1 1 73 73 TRP CA C 73 56.821 56.821 56.410 0.411 18415 7351 1 10 . 1 1 73 73 TRP CB C 73 28.876 28.876 30.273 -1.397 18415 7352 1 10 . 1 1 73 73 TRP H H 73 6.599 6.599 8.569 -1.970 18415 7353 1 10 . 1 1 74 74 ARG N N 74 119.549 119.549 119.014 0.535 18415 7354 1 10 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.792 -0.086 18415 7355 1 10 . 1 1 74 74 ARG C C 74 176.980 176.980 174.859 2.121 18415 7356 1 10 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.599 -1.266 18415 7357 1 10 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.522 0.101 18415 7358 1 10 . 1 1 74 74 ARG H H 74 8.443 8.443 8.171 0.272 18415 7359 1 10 . 1 1 75 75 TRP N N 75 125.690 125.690 124.054 1.636 18415 7360 1 10 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.515 -0.088 18415 7361 1 10 . 1 1 75 75 TRP C C 75 180.474 180.474 178.043 2.431 18415 7362 1 10 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.558 -1.792 18415 7363 1 10 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.029 1.001 18415 7364 1 10 . 1 1 75 75 TRP H H 75 9.052 9.052 9.371 -0.319 18415 7365 1 10 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.943 0.335 18415 7366 1 10 . 1 1 76 76 VAL C C 76 175.431 175.431 176.884 -1.453 18415 7367 1 10 . 1 1 76 76 VAL CA C 76 64.564 64.564 66.222 -1.658 18415 7368 1 10 . 1 1 76 76 VAL CB C 76 32.369 32.369 31.993 0.376 18415 7369 1 10 . 1 1 77 77 ASP N N 77 119.941 119.941 117.157 2.784 18415 7370 1 10 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.477 -0.499 18415 7371 1 10 . 1 1 77 77 ASP C C 77 176.293 176.293 176.053 0.240 18415 7372 1 10 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.169 -0.410 18415 7373 1 10 . 1 1 77 77 ASP CB C 77 40.410 40.410 39.632 0.778 18415 7374 1 10 . 1 1 77 77 ASP H H 77 8.004 8.004 8.130 -0.126 18415 7375 1 10 . 1 1 78 78 GLN N N 78 109.962 109.962 123.147 -13.185 18415 7376 1 10 . 1 1 78 78 GLN HA H 78 4.125 4.125 3.973 0.152 18415 7377 1 10 . 1 1 78 78 GLN C C 78 176.387 176.387 175.470 0.917 18415 7378 1 10 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.128 -0.336 18415 7379 1 10 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.516 -1.415 18415 7380 1 10 . 1 1 78 78 GLN H H 78 8.124 8.124 8.227 -0.103 18415 7381 1 10 . 1 1 79 79 THR N N 79 121.656 121.656 120.266 1.390 18415 7382 1 10 . 1 1 79 79 THR HA H 79 4.250 4.250 4.284 -0.034 18415 7383 1 10 . 1 1 79 79 THR C C 79 172.901 172.901 173.038 -0.137 18415 7384 1 10 . 1 1 79 79 THR CA C 79 63.165 63.165 64.179 -1.014 18415 7385 1 10 . 1 1 79 79 THR CB C 79 69.427 69.427 68.327 1.100 18415 7386 1 10 . 1 1 79 79 THR H H 79 8.172 8.172 8.194 -0.022 18415 7387 1 10 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.725 -0.203 18415 7388 1 10 . 1 1 80 80 PRO C C 80 176.940 176.940 176.710 0.230 18415 7389 1 10 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.547 1.141 18415 7390 1 10 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.619 -0.432 18415 7391 1 10 . 1 1 81 81 PHE N N 81 125.403 125.403 122.077 3.326 18415 7392 1 10 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.397 0.512 18415 7393 1 10 . 1 1 81 81 PHE C C 81 174.853 174.853 174.733 0.120 18415 7394 1 10 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.685 -1.332 18415 7395 1 10 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.770 0.249 18415 7396 1 10 . 1 1 81 81 PHE H H 81 9.015 9.015 8.509 0.506 18415 7397 1 10 . 1 1 82 82 ASN N N 82 129.264 129.264 127.086 2.178 18415 7398 1 10 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.939 0.116 18415 7399 1 10 . 1 1 82 82 ASN C C 82 173.643 173.643 173.234 0.409 18415 7400 1 10 . 1 1 82 82 ASN CA C 82 48.803 48.803 49.386 -0.583 18415 7401 1 10 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.013 0.482 18415 7402 1 10 . 1 1 82 82 ASN H H 82 8.985 8.985 8.334 0.651 18415 7403 1 10 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.211 -0.208 18415 7404 1 10 . 1 1 83 83 PRO C C 83 177.123 177.123 176.785 0.338 18415 7405 1 10 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.402 -0.617 18415 7406 1 10 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.154 0.360 18415 7407 1 10 . 1 1 84 84 ARG N N 84 114.801 114.801 116.743 -1.942 18415 7408 1 10 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.272 0.051 18415 7409 1 10 . 1 1 84 84 ARG C C 84 176.890 176.890 176.226 0.664 18415 7410 1 10 . 1 1 84 84 ARG CA C 84 56.003 56.003 55.365 0.638 18415 7411 1 10 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.706 -0.548 18415 7412 1 10 . 1 1 84 84 ARG H H 84 7.697 7.697 8.335 -0.638 18415 7413 1 10 . 1 1 85 85 ARG N N 85 123.958 123.958 120.984 2.974 18415 7414 1 10 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.408 -0.103 18415 7415 1 10 . 1 1 85 85 ARG C C 85 173.017 173.017 173.976 -0.959 18415 7416 1 10 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.811 -1.002 18415 7417 1 10 . 1 1 85 85 ARG CB C 85 30.040 30.040 29.244 0.796 18415 7418 1 10 . 1 1 85 85 ARG H H 85 7.596 7.596 7.686 -0.090 18415 7419 1 10 . 1 1 86 86 VAL N N 86 110.039 110.039 119.781 -9.742 18415 7420 1 10 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.462 0.337 18415 7421 1 10 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.003 -2.737 18415 7422 1 10 . 1 1 86 86 VAL CB C 86 34.226 34.226 35.038 -0.811 18415 7423 1 10 . 1 1 86 86 VAL H H 86 6.570 6.570 7.159 -0.589 18415 7424 1 10 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.450 -0.128 18415 7425 1 10 . 1 1 87 87 PHE C C 87 173.471 173.471 174.436 -0.965 18415 7426 1 10 . 1 1 87 87 PHE CA C 87 55.377 55.377 57.099 -1.722 18415 7427 1 10 . 1 1 87 87 PHE CB C 87 37.384 37.384 39.785 -2.401 18415 7428 1 10 . 1 1 88 88 TRP N N 88 118.538 118.538 115.253 3.285 18415 7429 1 10 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.386 0.416 18415 7430 1 10 . 1 1 88 88 TRP C C 88 179.297 179.297 176.794 2.503 18415 7431 1 10 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.664 -0.427 18415 7432 1 10 . 1 1 88 88 TRP CB C 88 31.550 31.550 28.672 2.877 18415 7433 1 10 . 1 1 88 88 TRP H H 88 6.633 6.633 6.779 -0.146 18415 7434 1 10 . 1 1 89 89 HIS N N 89 122.693 122.693 119.673 3.020 18415 7435 1 10 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.646 -0.275 18415 7436 1 10 . 1 1 89 89 HIS C C 89 175.621 175.621 176.239 -0.618 18415 7437 1 10 . 1 1 89 89 HIS CA C 89 58.121 58.121 58.618 -0.497 18415 7438 1 10 . 1 1 89 89 HIS CB C 89 32.712 32.712 32.205 0.507 18415 7439 1 10 . 1 1 89 89 HIS H H 89 9.473 9.473 9.026 0.447 18415 7440 1 10 . 1 1 90 90 LYS N N 90 120.826 120.826 117.727 3.099 18415 7441 1 10 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.318 -0.207 18415 7442 1 10 . 1 1 90 90 LYS C C 90 177.228 177.228 174.705 2.523 18415 7443 1 10 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.264 0.978 18415 7444 1 10 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.907 -0.425 18415 7445 1 10 . 1 1 90 90 LYS H H 90 8.741 8.741 8.798 -0.057 18415 7446 1 10 . 1 1 91 91 ASN N N 91 117.166 117.166 119.616 -2.450 18415 7447 1 10 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.763 -0.447 18415 7448 1 10 . 1 1 91 91 ASN C C 91 173.391 173.391 173.646 -0.255 18415 7449 1 10 . 1 1 91 91 ASN CA C 91 55.335 55.335 52.961 2.374 18415 7450 1 10 . 1 1 91 91 ASN CB C 91 37.385 37.385 40.224 -2.839 18415 7451 1 10 . 1 1 91 91 ASN H H 91 8.906 8.906 8.399 0.507 18415 7452 1 10 . 1 1 92 92 GLU N N 92 116.991 116.991 122.121 -5.130 18415 7453 1 10 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.457 -0.170 18415 7454 1 10 . 1 1 92 92 GLU C C 92 173.188 173.188 174.745 -1.557 18415 7455 1 10 . 1 1 92 92 GLU CA C 92 53.271 53.271 55.376 -2.105 18415 7456 1 10 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.064 1.390 18415 7457 1 10 . 1 1 92 92 GLU H H 92 7.738 7.738 8.636 -0.898 18415 7458 1 10 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.621 0.023 18415 7459 1 10 . 1 1 95 95 ASN C C 95 175.699 175.699 175.308 0.391 18415 7460 1 10 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.860 -0.401 18415 7461 1 10 . 1 1 95 95 ASN CB C 95 38.725 38.725 38.974 -0.249 18415 7462 1 10 . 1 1 96 96 SER N N 96 116.489 116.489 119.186 -2.697 18415 7463 1 10 . 1 1 96 96 SER HA H 96 4.405 4.405 4.636 -0.231 18415 7464 1 10 . 1 1 96 96 SER C C 96 174.831 174.831 173.653 1.178 18415 7465 1 10 . 1 1 96 96 SER CA C 96 58.753 58.753 58.191 0.562 18415 7466 1 10 . 1 1 96 96 SER CB C 96 64.216 64.216 61.838 2.378 18415 7467 1 10 . 1 1 96 96 SER H H 96 8.118 8.118 7.859 0.259 18415 7468 1 10 . 1 1 97 97 GLN N N 97 121.023 121.023 120.647 0.376 18415 7469 1 10 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.470 -0.218 18415 7470 1 10 . 1 1 97 97 GLN C C 97 176.063 176.063 176.735 -0.672 18415 7471 1 10 . 1 1 97 97 GLN CA C 97 55.957 55.957 54.869 1.088 18415 7472 1 10 . 1 1 97 97 GLN CB C 97 29.528 29.528 29.973 -0.445 18415 7473 1 10 . 1 1 97 97 GLN H H 97 8.371 8.371 7.614 0.757 18415 7474 1 10 . 1 1 98 98 GLY N N 98 110.498 110.498 114.662 -4.164 18415 7475 1 10 . 1 1 98 98 GLY C C 98 172.460 172.460 173.300 -0.840 18415 7476 1 10 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.577 -0.641 18415 7477 1 10 . 1 1 98 98 GLY H H 98 8.080 8.080 8.768 -0.688 18415 7478 1 10 . 1 1 99 99 GLU N N 99 119.919 119.919 124.693 -4.774 18415 7479 1 10 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.491 -0.220 18415 7480 1 10 . 1 1 99 99 GLU C C 99 176.605 176.605 174.621 1.984 18415 7481 1 10 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.694 0.814 18415 7482 1 10 . 1 1 99 99 GLU CB C 99 29.469 29.469 30.710 -1.241 18415 7483 1 10 . 1 1 99 99 GLU H H 99 8.004 8.004 7.832 0.172 18415 7484 1 10 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.249 0.031 18415 7485 1 10 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.857 1.524 18415 7486 1 10 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.236 2.681 18415 7487 1 10 . 1 1 101 101 CYS N N 101 121.118 121.118 122.234 -1.116 18415 7488 1 10 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.591 0.899 18415 7489 1 10 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.032 1.306 18415 7490 1 10 . 1 1 101 101 CYS CB C 101 43.778 43.778 28.476 15.302 18415 7491 1 10 . 1 1 101 101 CYS H H 101 9.707 9.707 9.046 0.661 18415 7492 1 10 . 1 1 102 102 VAL HA H 102 5.186 5.186 4.868 0.318 18415 7493 1 10 . 1 1 102 102 VAL C C 102 175.530 175.530 175.355 0.175 18415 7494 1 10 . 1 1 102 102 VAL CA C 102 63.033 63.033 62.112 0.921 18415 7495 1 10 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.304 2.850 18415 7496 1 10 . 1 1 103 103 VAL N N 103 115.890 115.890 120.149 -4.259 18415 7497 1 10 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.774 0.574 18415 7498 1 10 . 1 1 103 103 VAL C C 103 175.136 175.136 174.357 0.779 18415 7499 1 10 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.093 -1.355 18415 7500 1 10 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.844 0.290 18415 7501 1 10 . 1 1 103 103 VAL H H 103 8.698 8.698 8.831 -0.133 18415 7502 1 10 . 1 1 104 104 LEU N N 104 124.477 124.477 125.745 -1.268 18415 7503 1 10 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.014 -0.038 18415 7504 1 10 . 1 1 104 104 LEU C C 104 176.248 176.248 175.497 0.751 18415 7505 1 10 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.627 0.367 18415 7506 1 10 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.902 2.940 18415 7507 1 10 . 1 1 104 104 LEU H H 104 9.453 9.453 9.110 0.343 18415 7508 1 10 . 1 1 105 105 VAL N N 105 123.109 123.109 127.748 -4.639 18415 7509 1 10 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.702 0.314 18415 7510 1 10 . 1 1 105 105 VAL C C 105 173.635 173.635 173.557 0.078 18415 7511 1 10 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.278 1.956 18415 7512 1 10 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.815 0.819 18415 7513 1 10 . 1 1 105 105 VAL H H 105 9.477 9.477 9.153 0.324 18415 7514 1 10 . 1 1 106 106 TYR N N 106 136.491 136.491 129.266 7.225 18415 7515 1 10 . 1 1 106 106 TYR HA H 106 4.465 4.465 3.845 0.620 18415 7516 1 10 . 1 1 106 106 TYR C C 106 175.009 175.009 173.560 1.449 18415 7517 1 10 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.942 -0.893 18415 7518 1 10 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.047 0.904 18415 7519 1 10 . 1 1 106 106 TYR H H 106 9.509 9.509 7.872 1.637 18415 7520 1 10 . 1 1 107 107 ASN N N 107 124.433 124.433 125.374 -0.941 18415 7521 1 10 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.704 -0.154 18415 7522 1 10 . 1 1 107 107 ASN C C 107 173.919 173.919 174.426 -0.507 18415 7523 1 10 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.077 -0.467 18415 7524 1 10 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.967 0.043 18415 7525 1 10 . 1 1 107 107 ASN H H 107 8.329 8.329 7.773 0.556 18415 7526 1 10 . 1 1 108 108 GLN N N 108 119.681 119.681 122.256 -2.575 18415 7527 1 10 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.927 -0.273 18415 7528 1 10 . 1 1 108 108 GLN C C 108 175.060 175.060 174.382 0.678 18415 7529 1 10 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.037 0.569 18415 7530 1 10 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.949 -1.685 18415 7531 1 10 . 1 1 108 108 GLN H H 108 8.558 8.558 8.934 -0.376 18415 7532 1 10 . 1 1 109 109 ASP N N 109 109.712 109.712 114.528 -4.816 18415 7533 1 10 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.556 0.421 18415 7534 1 10 . 1 1 109 109 ASP C C 109 174.354 174.354 174.781 -0.427 18415 7535 1 10 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.475 -0.276 18415 7536 1 10 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.816 -0.790 18415 7537 1 10 . 1 1 109 109 ASP H H 109 8.199 8.199 8.413 -0.214 18415 7538 1 10 . 1 1 110 110 LYS N N 110 115.590 115.590 116.961 -1.371 18415 7539 1 10 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.578 -0.026 18415 7540 1 10 . 1 1 110 110 LYS C C 110 174.674 174.674 175.951 -1.277 18415 7541 1 10 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.723 0.746 18415 7542 1 10 . 1 1 110 110 LYS CB C 110 35.589 35.589 33.796 1.793 18415 7543 1 10 . 1 1 110 110 LYS H H 110 7.081 7.081 7.097 -0.016 18415 7544 1 10 . 1 1 111 111 TRP N N 111 122.248 122.248 124.580 -2.332 18415 7545 1 10 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.032 0.041 18415 7546 1 10 . 1 1 111 111 TRP C C 111 175.920 175.920 176.612 -0.692 18415 7547 1 10 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.130 -0.941 18415 7548 1 10 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.997 0.872 18415 7549 1 10 . 1 1 111 111 TRP H H 111 8.650 8.650 8.707 -0.057 18415 7550 1 10 . 1 1 112 112 ALA N N 112 124.184 124.184 123.881 0.303 18415 7551 1 10 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.643 -0.475 18415 7552 1 10 . 1 1 112 112 ALA C C 112 174.995 174.995 175.428 -0.433 18415 7553 1 10 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.514 0.801 18415 7554 1 10 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.994 -5.112 18415 7555 1 10 . 1 1 112 112 ALA H H 112 8.790 8.790 8.888 -0.098 18415 7556 1 10 . 1 1 113 113 TRP N N 113 118.725 118.725 120.135 -1.410 18415 7557 1 10 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.441 0.715 18415 7558 1 10 . 1 1 113 113 TRP C C 113 177.471 177.471 177.053 0.418 18415 7559 1 10 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.248 -0.633 18415 7560 1 10 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.006 3.368 18415 7561 1 10 . 1 1 113 113 TRP H H 113 8.969 8.969 8.290 0.679 18415 7562 1 10 . 1 1 114 114 ASN N N 114 120.479 120.479 121.902 -1.423 18415 7563 1 10 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.198 0.292 18415 7564 1 10 . 1 1 114 114 ASN C C 114 174.708 174.708 174.331 0.377 18415 7565 1 10 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.009 -0.251 18415 7566 1 10 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.294 -0.276 18415 7567 1 10 . 1 1 114 114 ASN H H 114 9.518 9.518 9.238 0.280 18415 7568 1 10 . 1 1 115 115 ASP N N 115 118.209 118.209 126.812 -8.603 18415 7569 1 10 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.929 0.942 18415 7570 1 10 . 1 1 115 115 ASP C C 115 174.291 174.291 175.700 -1.409 18415 7571 1 10 . 1 1 115 115 ASP CA C 115 52.187 52.187 55.493 -3.306 18415 7572 1 10 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.229 -0.725 18415 7573 1 10 . 1 1 115 115 ASP H H 115 8.563 8.563 8.863 -0.299 18415 7574 1 10 . 1 1 116 116 VAL N N 116 118.669 118.669 116.948 1.721 18415 7575 1 10 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.631 0.264 18415 7576 1 10 . 1 1 116 116 VAL C C 116 172.334 172.334 173.900 -1.566 18415 7577 1 10 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.673 0.608 18415 7578 1 10 . 1 1 116 116 VAL CB C 116 34.333 34.333 33.698 0.635 18415 7579 1 10 . 1 1 116 116 VAL H H 116 9.369 9.369 8.301 1.068 18415 7580 1 10 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.726 0.208 18415 7581 1 10 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.352 -0.276 18415 7582 1 10 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.922 0.437 18415 7583 1 10 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.394 0.056 18415 7584 1 10 . 1 1 118 118 CYS C C 118 175.583 175.583 176.154 -0.571 18415 7585 1 10 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.682 -1.778 18415 7586 1 10 . 1 1 118 118 CYS CB C 118 43.841 43.841 27.485 16.356 18415 7587 1 10 . 1 1 119 119 ASN N N 119 117.251 117.251 119.767 -2.516 18415 7588 1 10 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.766 0.147 18415 7589 1 10 . 1 1 119 119 ASN C C 119 174.849 174.849 173.710 1.139 18415 7590 1 10 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.376 -0.234 18415 7591 1 10 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.252 -1.176 18415 7592 1 10 . 1 1 119 119 ASN H H 119 8.411 8.411 8.985 -0.574 18415 7593 1 10 . 1 1 120 120 PHE N N 120 123.415 123.415 124.173 -0.758 18415 7594 1 10 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.861 -0.315 18415 7595 1 10 . 1 1 120 120 PHE C C 120 173.156 173.156 174.192 -1.036 18415 7596 1 10 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.434 1.926 18415 7597 1 10 . 1 1 120 120 PHE CB C 120 40.449 40.449 42.856 -2.407 18415 7598 1 10 . 1 1 120 120 PHE H H 120 8.097 8.097 8.115 -0.018 18415 7599 1 10 . 1 1 121 121 GLU N N 121 119.143 119.143 127.225 -8.082 18415 7600 1 10 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.358 0.195 18415 7601 1 10 . 1 1 121 121 GLU C C 121 174.732 174.732 174.958 -0.226 18415 7602 1 10 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.905 -2.317 18415 7603 1 10 . 1 1 121 121 GLU CB C 121 30.420 30.420 28.290 2.130 18415 7604 1 10 . 1 1 121 121 GLU H H 121 7.012 7.012 8.461 -1.449 18415 7605 1 10 . 1 1 122 122 ALA N N 122 125.793 125.793 127.838 -2.045 18415 7606 1 10 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.671 -0.200 18415 7607 1 10 . 1 1 122 122 ALA C C 122 177.616 177.616 175.801 1.815 18415 7608 1 10 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.628 0.615 18415 7609 1 10 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.527 -1.925 18415 7610 1 10 . 1 1 122 122 ALA H H 122 8.441 8.441 8.840 -0.399 18415 7611 1 10 . 1 1 123 123 SER N N 123 115.420 115.420 114.369 1.051 18415 7612 1 10 . 1 1 123 123 SER HA H 123 4.522 4.522 5.042 -0.520 18415 7613 1 10 . 1 1 123 123 SER C C 123 172.514 172.514 174.757 -2.243 18415 7614 1 10 . 1 1 123 123 SER CA C 123 60.661 60.661 57.267 3.394 18415 7615 1 10 . 1 1 123 123 SER CB C 123 62.943 62.943 63.906 -0.963 18415 7616 1 10 . 1 1 123 123 SER H H 123 7.716 7.716 8.029 -0.313 18415 7617 1 10 . 1 1 124 124 ARG N N 124 112.529 112.529 116.078 -3.549 18415 7618 1 10 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.102 0.388 18415 7619 1 10 . 1 1 124 124 ARG C C 124 173.779 173.779 174.199 -0.420 18415 7620 1 10 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.590 0.349 18415 7621 1 10 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.815 -1.890 18415 7622 1 10 . 1 1 124 124 ARG H H 124 8.840 8.840 8.430 0.410 18415 7623 1 10 . 1 1 125 125 ILE N N 125 116.525 116.525 119.938 -3.413 18415 7624 1 10 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.848 -0.130 18415 7625 1 10 . 1 1 125 125 ILE C C 125 175.656 175.656 174.885 0.771 18415 7626 1 10 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.568 1.268 18415 7627 1 10 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.356 0.202 18415 7628 1 10 . 1 1 125 125 ILE H H 125 6.989 6.989 8.109 -1.120 18415 7629 1 10 . 1 1 126 126 CYS N N 126 123.910 123.910 127.379 -3.469 18415 7630 1 10 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.443 0.127 18415 7631 1 10 . 1 1 126 126 CYS C C 126 173.662 173.662 173.823 -0.161 18415 7632 1 10 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.601 -5.761 18415 7633 1 10 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.606 10.535 18415 7634 1 10 . 1 1 126 126 CYS H H 126 8.288 8.288 9.148 -0.860 18415 7635 1 10 . 1 1 127 127 LYS N N 127 124.170 124.170 125.788 -1.618 18415 7636 1 10 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.583 0.036 18415 7637 1 10 . 1 1 127 127 LYS C C 127 174.637 174.637 175.217 -0.580 18415 7638 1 10 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.496 0.739 18415 7639 1 10 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.221 2.297 18415 7640 1 10 . 1 1 127 127 LYS H H 127 9.681 9.681 9.480 0.201 18415 7641 1 10 . 1 1 128 128 ILE N N 128 129.226 129.226 126.828 2.398 18415 7642 1 10 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.606 0.294 18415 7643 1 10 . 1 1 128 128 ILE C C 128 172.463 172.463 173.835 -1.372 18415 7644 1 10 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.963 0.421 18415 7645 1 10 . 1 1 128 128 ILE CB C 128 43.888 43.888 39.940 3.948 18415 7646 1 10 . 1 1 128 128 ILE H H 128 9.205 9.205 9.082 0.123 18415 7647 1 10 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.654 0.337 18415 7648 1 10 . 1 1 129 129 PRO C C 129 177.954 177.954 178.023 -0.069 18415 7649 1 10 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.463 0.161 18415 7650 1 10 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.181 0.320 18415 7651 1 10 . 1 1 130 130 GLY N N 130 110.745 110.745 107.962 2.783 18415 7652 1 10 . 1 1 130 130 GLY C C 130 175.022 175.022 174.350 0.672 18415 7653 1 10 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.272 0.984 18415 7654 1 10 . 1 1 130 130 GLY H H 130 8.673 8.673 8.560 0.113 18415 7655 1 10 . 1 1 131 131 THR N N 131 112.246 112.246 115.279 -3.033 18415 7656 1 10 . 1 1 131 131 THR HA H 131 4.427 4.427 4.387 0.040 18415 7657 1 10 . 1 1 131 131 THR C C 131 175.259 175.259 175.922 -0.663 18415 7658 1 10 . 1 1 131 131 THR CA C 131 61.500 61.500 62.958 -1.458 18415 7659 1 10 . 1 1 131 131 THR CB C 131 69.998 69.998 69.650 0.348 18415 7660 1 10 . 1 1 131 131 THR H H 131 7.870 7.870 8.124 -0.254 18415 7661 1 10 . 1 1 132 132 THR N N 132 116.455 116.455 118.830 -2.375 18415 7662 1 10 . 1 1 132 132 THR HA H 132 4.281 4.281 4.005 0.276 18415 7663 1 10 . 1 1 132 132 THR C C 132 174.867 174.867 175.692 -0.825 18415 7664 1 10 . 1 1 132 132 THR CA C 132 62.453 62.453 65.317 -2.864 18415 7665 1 10 . 1 1 132 132 THR CB C 132 69.868 69.868 68.396 1.472 18415 7666 1 10 . 1 1 132 132 THR H H 132 8.120 8.120 7.671 0.449 18415 7667 1 10 . 1 1 133 133 LEU N N 133 124.001 124.001 119.090 4.911 18415 7668 1 10 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.021 0.241 18415 7669 1 10 . 1 1 133 133 LEU C C 133 177.365 177.365 177.975 -0.610 18415 7670 1 10 . 1 1 133 133 LEU CA C 133 55.747 55.747 57.420 -1.673 18415 7671 1 10 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.477 0.845 18415 7672 1 10 . 1 1 133 133 LEU H H 133 8.117 8.117 8.333 -0.216 18415 7673 1 10 . 1 1 134 134 ASN N N 134 119.222 119.222 115.642 3.580 18415 7674 1 10 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.656 -0.035 18415 7675 1 10 . 1 1 134 134 ASN C C 134 175.725 175.725 176.537 -0.812 18415 7676 1 10 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.102 -1.477 18415 7677 1 10 . 1 1 134 134 ASN CB C 134 38.836 38.836 38.501 0.335 18415 7678 1 10 . 1 1 134 134 ASN H H 134 8.325 8.325 7.552 0.773 18415 7679 1 10 . 1 1 135 135 ALA N N 135 123.649 123.649 122.299 1.350 18415 7680 1 10 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.458 -0.329 18415 7681 1 10 . 1 1 135 135 ALA C C 135 179.061 179.061 178.722 0.339 18415 7682 1 10 . 1 1 135 135 ALA CA C 135 53.932 53.932 53.037 0.895 18415 7683 1 10 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.377 0.562 18415 7684 1 10 . 1 1 135 135 ALA H H 135 8.205 8.205 7.626 0.579 18415 7685 1 10 . 1 1 136 136 GLU N N 136 119.187 119.187 119.734 -0.547 18415 7686 1 10 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.068 0.137 18415 7687 1 10 . 1 1 136 136 GLU C C 136 177.504 177.504 178.490 -0.986 18415 7688 1 10 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.584 -1.705 18415 7689 1 10 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.248 0.398 18415 7690 1 10 . 1 1 136 136 GLU H H 136 8.349 8.349 8.099 0.250 18415 7691 1 10 . 1 1 137 137 ASN N N 137 118.988 118.988 118.047 0.941 18415 7692 1 10 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.597 0.040 18415 7693 1 10 . 1 1 137 137 ASN C C 137 176.785 176.785 177.507 -0.722 18415 7694 1 10 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.800 -1.326 18415 7695 1 10 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.435 0.274 18415 7696 1 10 . 1 1 137 137 ASN H H 137 8.259 8.259 7.931 0.328 18415 7697 1 10 . 1 1 138 138 LEU N N 138 121.438 121.438 120.689 0.749 18415 7698 1 10 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.036 0.099 18415 7699 1 10 . 1 1 138 138 LEU C C 138 178.872 178.872 178.215 0.657 18415 7700 1 10 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.588 -0.661 18415 7701 1 10 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.093 -0.091 18415 7702 1 10 . 1 1 138 138 LEU H H 138 8.084 8.084 7.758 0.326 18415 7703 1 10 . 1 1 139 139 TYR N N 139 120.558 120.558 119.906 0.652 18415 7704 1 10 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.375 -0.089 18415 7705 1 10 . 1 1 139 139 TYR C C 139 177.587 177.587 177.228 0.359 18415 7706 1 10 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.167 -0.022 18415 7707 1 10 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.512 -0.146 18415 7708 1 10 . 1 1 139 139 TYR H H 139 8.130 8.130 8.587 -0.457 18415 7709 1 10 . 1 1 140 140 PHE N N 140 120.508 120.508 120.102 0.406 18415 7710 1 10 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.173 0.182 18415 7711 1 10 . 1 1 140 140 PHE C C 140 177.425 177.425 176.452 0.973 18415 7712 1 10 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.340 -0.710 18415 7713 1 10 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.340 -0.088 18415 7714 1 10 . 1 1 140 140 PHE H H 140 8.275 8.275 8.046 0.229 18415 7715 1 10 . 1 1 141 141 GLN N N 141 119.274 119.274 117.671 1.603 18415 7716 1 10 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.122 -0.009 18415 7717 1 10 . 1 1 141 141 GLN C C 141 176.976 176.976 176.400 0.576 18415 7718 1 10 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.984 0.379 18415 7719 1 10 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.659 -0.631 18415 7720 1 10 . 1 1 141 141 GLN H H 141 8.250 8.250 7.731 0.519 18415 7721 1 11 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.294 -0.507 18415 7722 1 11 . 1 1 2 2 VAL C C 2 172.250 172.250 173.531 -1.281 18415 7723 1 11 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.310 -1.016 18415 7724 1 11 . 1 1 2 2 VAL CB C 2 33.708 33.708 33.915 -0.207 18415 7725 1 11 . 1 1 3 3 CYS N N 3 121.988 121.988 124.867 -2.879 18415 7726 1 11 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.718 0.487 18415 7727 1 11 . 1 1 3 3 CYS C C 3 171.993 171.993 172.415 -0.422 18415 7728 1 11 . 1 1 3 3 CYS CA C 3 52.044 52.044 57.034 -4.990 18415 7729 1 11 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.846 9.614 18415 7730 1 11 . 1 1 3 3 CYS H H 3 8.628 8.628 8.566 0.062 18415 7731 1 11 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.841 -0.018 18415 7732 1 11 . 1 1 5 5 ILE C C 5 176.622 176.622 177.478 -0.856 18415 7733 1 11 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.516 -0.216 18415 7734 1 11 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.089 -0.045 18415 7735 1 11 . 1 1 6 6 ASP N N 6 117.894 117.894 119.619 -1.725 18415 7736 1 11 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.553 -0.209 18415 7737 1 11 . 1 1 6 6 ASP H H 6 8.606 8.606 8.483 0.122 18415 7738 1 11 . 1 1 7 7 TRP N N 7 120.564 120.564 120.512 0.052 18415 7739 1 11 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.561 0.129 18415 7740 1 11 . 1 1 7 7 TRP C C 7 176.415 176.415 177.028 -0.613 18415 7741 1 11 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.400 0.638 18415 7742 1 11 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.522 -0.751 18415 7743 1 11 . 1 1 7 7 TRP H H 7 8.208 8.208 7.783 0.425 18415 7744 1 11 . 1 1 8 8 ARG N N 8 119.872 119.872 122.911 -3.039 18415 7745 1 11 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.463 0.223 18415 7746 1 11 . 1 1 8 8 ARG C C 8 176.146 176.146 175.355 0.791 18415 7747 1 11 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.488 -0.547 18415 7748 1 11 . 1 1 8 8 ARG CB C 8 31.563 31.563 31.000 0.563 18415 7749 1 11 . 1 1 8 8 ARG H H 8 9.456 9.456 9.327 0.129 18415 7750 1 11 . 1 1 9 9 ALA N N 9 127.265 127.265 129.875 -2.610 18415 7751 1 11 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.932 0.459 18415 7752 1 11 . 1 1 9 9 ALA C C 9 176.927 176.927 176.300 0.627 18415 7753 1 11 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.251 0.759 18415 7754 1 11 . 1 1 9 9 ALA CB C 9 22.663 22.663 20.142 2.521 18415 7755 1 11 . 1 1 9 9 ALA H H 9 8.819 8.819 8.474 0.345 18415 7756 1 11 . 1 1 10 10 PHE N N 10 120.450 120.450 126.673 -6.223 18415 7757 1 11 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.767 -0.573 18415 7758 1 11 . 1 1 10 10 PHE C C 10 174.606 174.606 175.011 -0.405 18415 7759 1 11 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.952 0.575 18415 7760 1 11 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.577 -0.716 18415 7761 1 11 . 1 1 10 10 PHE H H 10 8.202 8.202 9.198 -0.996 18415 7762 1 11 . 1 1 11 11 GLN N N 11 126.391 126.391 124.852 1.539 18415 7763 1 11 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.690 -0.229 18415 7764 1 11 . 1 1 11 11 GLN C C 11 175.859 175.859 175.654 0.205 18415 7765 1 11 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.005 -0.753 18415 7766 1 11 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.027 -1.065 18415 7767 1 11 . 1 1 11 11 GLN H H 11 8.872 8.872 8.747 0.125 18415 7768 1 11 . 1 1 12 12 SER N N 12 113.087 113.087 114.203 -1.116 18415 7769 1 11 . 1 1 12 12 SER HA H 12 4.252 4.252 4.673 -0.421 18415 7770 1 11 . 1 1 12 12 SER C C 12 173.339 173.339 172.733 0.606 18415 7771 1 11 . 1 1 12 12 SER CA C 12 59.795 59.795 57.650 2.146 18415 7772 1 11 . 1 1 12 12 SER CB C 12 62.943 62.943 65.400 -2.457 18415 7773 1 11 . 1 1 12 12 SER H H 12 8.189 8.189 8.160 0.029 18415 7774 1 11 . 1 1 13 13 ASN N N 13 118.336 118.336 119.721 -1.385 18415 7775 1 11 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.157 0.099 18415 7776 1 11 . 1 1 13 13 ASN C C 13 174.330 174.330 172.869 1.461 18415 7777 1 11 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.547 -0.205 18415 7778 1 11 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.905 0.553 18415 7779 1 11 . 1 1 13 13 ASN H H 13 8.242 8.242 8.022 0.220 18415 7780 1 11 . 1 1 14 14 CYS N N 14 118.315 118.315 118.058 0.257 18415 7781 1 11 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.483 0.378 18415 7782 1 11 . 1 1 14 14 CYS C C 14 174.314 174.314 173.269 1.045 18415 7783 1 11 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.928 -4.243 18415 7784 1 11 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.646 14.373 18415 7785 1 11 . 1 1 14 14 CYS H H 14 8.592 8.592 9.028 -0.436 18415 7786 1 11 . 1 1 15 15 TYR N N 15 121.588 121.588 120.978 0.610 18415 7787 1 11 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.524 0.253 18415 7788 1 11 . 1 1 15 15 TYR C C 15 176.333 176.333 174.315 2.018 18415 7789 1 11 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.386 2.230 18415 7790 1 11 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.258 3.325 18415 7791 1 11 . 1 1 15 15 TYR H H 15 9.947 9.947 9.542 0.405 18415 7792 1 11 . 1 1 16 16 PHE N N 16 121.989 121.989 122.501 -0.512 18415 7793 1 11 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.705 0.206 18415 7794 1 11 . 1 1 16 16 PHE C C 16 172.937 172.937 172.889 0.048 18415 7795 1 11 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.327 0.071 18415 7796 1 11 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.869 -1.799 18415 7797 1 11 . 1 1 16 16 PHE H H 16 8.717 8.717 9.220 -0.503 18415 7798 1 11 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.702 0.414 18415 7799 1 11 . 1 1 17 17 PRO C C 17 175.445 175.445 175.043 0.402 18415 7800 1 11 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.752 -0.264 18415 7801 1 11 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.143 -0.152 18415 7802 1 11 . 1 1 18 18 LEU N N 18 126.062 126.062 126.318 -0.256 18415 7803 1 11 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.455 0.226 18415 7804 1 11 . 1 1 18 18 LEU C C 18 177.391 177.391 177.981 -0.590 18415 7805 1 11 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.160 2.200 18415 7806 1 11 . 1 1 18 18 LEU CB C 18 45.482 45.482 42.900 2.582 18415 7807 1 11 . 1 1 18 18 LEU H H 18 9.054 9.054 9.068 -0.014 18415 7808 1 11 . 1 1 19 19 THR N N 19 109.256 109.256 113.340 -4.084 18415 7809 1 11 . 1 1 19 19 THR HA H 19 4.612 4.612 4.208 0.404 18415 7810 1 11 . 1 1 19 19 THR C C 19 175.613 175.613 174.655 0.958 18415 7811 1 11 . 1 1 19 19 THR CA C 19 62.236 62.236 62.426 -0.190 18415 7812 1 11 . 1 1 19 19 THR CB C 19 69.530 69.530 69.118 0.412 18415 7813 1 11 . 1 1 19 19 THR H H 19 8.303 8.303 8.672 -0.369 18415 7814 1 11 . 1 1 20 20 ASP N N 20 121.645 121.645 123.187 -1.542 18415 7815 1 11 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.468 -0.011 18415 7816 1 11 . 1 1 20 20 ASP C C 20 174.684 174.684 175.182 -0.498 18415 7817 1 11 . 1 1 20 20 ASP CA C 20 53.118 53.118 54.103 -0.985 18415 7818 1 11 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.502 -1.433 18415 7819 1 11 . 1 1 20 20 ASP H H 20 8.834 8.834 7.913 0.921 18415 7820 1 11 . 1 1 21 21 ASN N N 21 118.648 118.648 123.744 -5.096 18415 7821 1 11 . 1 1 21 21 ASN HA H 21 4.646 4.646 5.109 -0.463 18415 7822 1 11 . 1 1 21 21 ASN C C 21 176.542 176.542 174.798 1.744 18415 7823 1 11 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.971 -0.519 18415 7824 1 11 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.105 0.348 18415 7825 1 11 . 1 1 21 21 ASN H H 21 8.113 8.113 8.647 -0.534 18415 7826 1 11 . 1 1 22 22 LYS N N 22 122.470 122.470 124.080 -1.610 18415 7827 1 11 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.787 0.069 18415 7828 1 11 . 1 1 22 22 LYS C C 22 176.711 176.711 176.152 0.559 18415 7829 1 11 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.980 1.685 18415 7830 1 11 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.062 2.477 18415 7831 1 11 . 1 1 22 22 LYS H H 22 8.794 8.794 8.964 -0.170 18415 7832 1 11 . 1 1 23 23 THR N N 23 109.009 109.009 114.200 -5.191 18415 7833 1 11 . 1 1 23 23 THR HA H 23 5.647 5.647 4.588 1.059 18415 7834 1 11 . 1 1 23 23 THR C C 23 178.411 178.411 175.448 2.963 18415 7835 1 11 . 1 1 23 23 THR CA C 23 61.773 61.773 60.935 0.838 18415 7836 1 11 . 1 1 23 23 THR CB C 23 71.820 71.820 69.793 2.026 18415 7837 1 11 . 1 1 23 23 THR H H 23 8.250 8.250 9.341 -1.091 18415 7838 1 11 . 1 1 24 24 TRP N N 24 126.345 126.345 123.226 3.119 18415 7839 1 11 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.493 -0.463 18415 7840 1 11 . 1 1 24 24 TRP C C 24 178.204 178.204 176.994 1.210 18415 7841 1 11 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.789 1.792 18415 7842 1 11 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.315 1.339 18415 7843 1 11 . 1 1 24 24 TRP H H 24 8.279 8.279 8.118 0.161 18415 7844 1 11 . 1 1 25 25 ALA N N 25 119.965 119.965 119.595 0.370 18415 7845 1 11 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.906 0.042 18415 7846 1 11 . 1 1 25 25 ALA C C 25 182.089 182.089 179.622 2.467 18415 7847 1 11 . 1 1 25 25 ALA CA C 25 55.890 55.890 54.886 1.004 18415 7848 1 11 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.162 0.093 18415 7849 1 11 . 1 1 25 25 ALA H H 25 9.634 9.634 8.367 1.267 18415 7850 1 11 . 1 1 26 26 GLU N N 26 116.492 116.492 118.357 -1.865 18415 7851 1 11 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.887 0.176 18415 7852 1 11 . 1 1 26 26 GLU C C 26 179.756 179.756 178.833 0.923 18415 7853 1 11 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.179 -0.884 18415 7854 1 11 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.300 1.183 18415 7855 1 11 . 1 1 26 26 GLU H H 26 7.392 7.392 7.641 -0.249 18415 7856 1 11 . 1 1 27 27 SER N N 27 121.197 121.197 115.266 5.931 18415 7857 1 11 . 1 1 27 27 SER HA H 27 3.855 3.855 4.029 -0.174 18415 7858 1 11 . 1 1 27 27 SER C C 27 174.299 174.299 176.266 -1.967 18415 7859 1 11 . 1 1 27 27 SER CA C 27 63.344 63.344 61.953 1.391 18415 7860 1 11 . 1 1 27 27 SER CB C 27 62.329 62.329 62.882 -0.553 18415 7861 1 11 . 1 1 27 27 SER H H 27 8.596 8.596 8.065 0.531 18415 7862 1 11 . 1 1 28 28 GLU N N 28 124.173 124.173 120.578 3.595 18415 7863 1 11 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.059 0.209 18415 7864 1 11 . 1 1 28 28 GLU C C 28 178.856 178.856 178.628 0.228 18415 7865 1 11 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.499 0.700 18415 7866 1 11 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.923 -2.023 18415 7867 1 11 . 1 1 28 28 GLU H H 28 8.133 8.133 7.341 0.792 18415 7868 1 11 . 1 1 29 29 ARG N N 29 120.498 120.498 118.250 2.248 18415 7869 1 11 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.047 -0.004 18415 7870 1 11 . 1 1 29 29 ARG C C 29 179.339 179.339 177.878 1.461 18415 7871 1 11 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.158 0.533 18415 7872 1 11 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.274 -0.039 18415 7873 1 11 . 1 1 29 29 ARG H H 29 7.962 7.962 7.566 0.396 18415 7874 1 11 . 1 1 30 30 ASN N N 30 119.000 119.000 116.340 2.660 18415 7875 1 11 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.690 -0.243 18415 7876 1 11 . 1 1 30 30 ASN C C 30 178.153 178.153 175.663 2.490 18415 7877 1 11 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.032 2.619 18415 7878 1 11 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.972 0.464 18415 7879 1 11 . 1 1 30 30 ASN H H 30 7.960 7.960 7.939 0.021 18415 7880 1 11 . 1 1 31 31 CYS N N 31 116.301 116.301 116.880 -0.579 18415 7881 1 11 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.712 -0.231 18415 7882 1 11 . 1 1 31 31 CYS C C 31 178.072 178.072 176.265 1.807 18415 7883 1 11 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.820 -3.410 18415 7884 1 11 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.924 5.785 18415 7885 1 11 . 1 1 31 31 CYS H H 31 8.477 8.477 7.760 0.717 18415 7886 1 11 . 1 1 32 32 SER N N 32 119.834 119.834 115.277 4.557 18415 7887 1 11 . 1 1 32 32 SER HA H 32 4.700 4.700 4.223 0.477 18415 7888 1 11 . 1 1 32 32 SER C C 32 179.062 179.062 176.315 2.747 18415 7889 1 11 . 1 1 32 32 SER CA C 32 61.663 61.663 61.455 0.208 18415 7890 1 11 . 1 1 32 32 SER CB C 32 62.655 62.655 61.835 0.820 18415 7891 1 11 . 1 1 32 32 SER H H 32 9.206 9.206 9.328 -0.122 18415 7892 1 11 . 1 1 33 33 GLY N N 33 111.632 111.632 110.137 1.495 18415 7893 1 11 . 1 1 33 33 GLY C C 33 174.861 174.861 174.972 -0.111 18415 7894 1 11 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.218 -0.551 18415 7895 1 11 . 1 1 33 33 GLY H H 33 8.053 8.053 8.385 -0.332 18415 7896 1 11 . 1 1 34 34 MET N N 34 116.998 116.998 119.205 -2.207 18415 7897 1 11 . 1 1 34 34 MET HA H 34 4.596 4.596 4.633 -0.037 18415 7898 1 11 . 1 1 34 34 MET C C 34 175.356 175.356 176.104 -0.748 18415 7899 1 11 . 1 1 34 34 MET CA C 34 54.887 54.887 54.810 0.077 18415 7900 1 11 . 1 1 34 34 MET CB C 34 33.959 33.959 32.739 1.220 18415 7901 1 11 . 1 1 34 34 MET H H 34 7.441 7.441 8.017 -0.576 18415 7902 1 11 . 1 1 35 35 GLY N N 35 106.474 106.474 107.430 -0.956 18415 7903 1 11 . 1 1 35 35 GLY C C 35 173.112 173.112 173.199 -0.087 18415 7904 1 11 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.577 -0.176 18415 7905 1 11 . 1 1 35 35 GLY H H 35 7.807 7.807 7.679 0.128 18415 7906 1 11 . 1 1 36 36 ALA N N 36 121.833 121.833 122.728 -0.895 18415 7907 1 11 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.629 0.073 18415 7908 1 11 . 1 1 36 36 ALA C C 36 174.285 174.285 175.782 -1.497 18415 7909 1 11 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.133 -1.412 18415 7910 1 11 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.160 3.502 18415 7911 1 11 . 1 1 36 36 ALA H H 36 7.693 7.693 7.747 -0.054 18415 7912 1 11 . 1 1 37 37 HIS N N 37 111.683 111.683 121.625 -9.942 18415 7913 1 11 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.278 -0.147 18415 7914 1 11 . 1 1 37 37 HIS C C 37 175.351 175.351 175.173 0.178 18415 7915 1 11 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.218 0.355 18415 7916 1 11 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.692 1.279 18415 7917 1 11 . 1 1 37 37 HIS H H 37 8.078 8.078 9.095 -1.017 18415 7918 1 11 . 1 1 38 38 LEU N N 38 123.260 123.260 125.005 -1.745 18415 7919 1 11 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.191 0.582 18415 7920 1 11 . 1 1 38 38 LEU C C 38 179.180 179.180 177.148 2.032 18415 7921 1 11 . 1 1 38 38 LEU CA C 38 56.366 56.366 56.190 0.176 18415 7922 1 11 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.034 1.622 18415 7923 1 11 . 1 1 38 38 LEU H H 38 9.964 9.964 8.906 1.058 18415 7924 1 11 . 1 1 39 39 MET N N 39 119.511 119.511 126.864 -7.353 18415 7925 1 11 . 1 1 39 39 MET HA H 39 3.855 3.855 4.407 -0.552 18415 7926 1 11 . 1 1 39 39 MET C C 39 174.874 174.874 175.361 -0.487 18415 7927 1 11 . 1 1 39 39 MET CA C 39 58.789 58.789 56.769 2.020 18415 7928 1 11 . 1 1 39 39 MET CB C 39 34.405 34.405 32.897 1.508 18415 7929 1 11 . 1 1 39 39 MET H H 39 8.409 8.409 8.455 -0.046 18415 7930 1 11 . 1 1 40 40 THR N N 40 123.771 123.771 120.138 3.633 18415 7931 1 11 . 1 1 40 40 THR HA H 40 4.013 4.013 4.403 -0.390 18415 7932 1 11 . 1 1 40 40 THR C C 40 172.936 172.936 173.372 -0.436 18415 7933 1 11 . 1 1 40 40 THR CA C 40 59.869 59.869 59.966 -0.097 18415 7934 1 11 . 1 1 40 40 THR CB C 40 70.587 70.587 67.997 2.590 18415 7935 1 11 . 1 1 40 40 THR H H 40 6.822 6.822 8.555 -1.733 18415 7936 1 11 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.187 0.062 18415 7937 1 11 . 1 1 41 41 ILE C C 41 174.349 174.349 175.629 -1.280 18415 7938 1 11 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.582 -2.825 18415 7939 1 11 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.032 1.539 18415 7940 1 11 . 1 1 42 42 SER N N 42 122.113 122.113 121.471 0.642 18415 7941 1 11 . 1 1 42 42 SER HA H 42 4.647 4.647 4.541 0.106 18415 7942 1 11 . 1 1 42 42 SER C C 42 174.502 174.502 174.573 -0.071 18415 7943 1 11 . 1 1 42 42 SER CA C 42 59.768 59.768 59.524 0.244 18415 7944 1 11 . 1 1 42 42 SER CB C 42 64.720 64.720 64.780 -0.060 18415 7945 1 11 . 1 1 42 42 SER H H 42 9.230 9.230 9.654 -0.424 18415 7946 1 11 . 1 1 43 43 THR N N 43 108.516 108.516 114.811 -6.295 18415 7947 1 11 . 1 1 43 43 THR HA H 43 4.807 4.807 4.698 0.109 18415 7948 1 11 . 1 1 43 43 THR C C 43 173.812 173.812 173.859 -0.047 18415 7949 1 11 . 1 1 43 43 THR CA C 43 59.249 59.249 59.459 -0.209 18415 7950 1 11 . 1 1 43 43 THR CB C 43 73.128 73.128 71.195 1.933 18415 7951 1 11 . 1 1 43 43 THR H H 43 7.559 7.559 7.790 -0.231 18415 7952 1 11 . 1 1 44 44 GLU N N 44 123.057 123.057 126.715 -3.658 18415 7953 1 11 . 1 1 44 44 GLU HA H 44 3.449 3.449 3.991 -0.542 18415 7954 1 11 . 1 1 44 44 GLU C C 44 178.262 178.262 177.731 0.531 18415 7955 1 11 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.734 -0.405 18415 7956 1 11 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.039 0.403 18415 7957 1 11 . 1 1 44 44 GLU H H 44 9.377 9.377 9.120 0.257 18415 7958 1 11 . 1 1 45 45 ALA N N 45 119.910 119.910 123.057 -3.147 18415 7959 1 11 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.152 -0.102 18415 7960 1 11 . 1 1 45 45 ALA C C 45 180.096 180.096 179.466 0.630 18415 7961 1 11 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.271 -0.091 18415 7962 1 11 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.132 0.135 18415 7963 1 11 . 1 1 45 45 ALA H H 45 8.328 8.328 7.906 0.422 18415 7964 1 11 . 1 1 46 46 GLU N N 46 118.861 118.861 118.895 -0.034 18415 7965 1 11 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.458 0.154 18415 7966 1 11 . 1 1 46 46 GLU C C 46 177.452 177.452 178.459 -1.007 18415 7967 1 11 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.698 -0.414 18415 7968 1 11 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.137 1.376 18415 7969 1 11 . 1 1 46 46 GLU H H 46 7.852 7.852 8.461 -0.609 18415 7970 1 11 . 1 1 47 47 GLN N N 47 119.473 119.473 118.883 0.590 18415 7971 1 11 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.763 -0.076 18415 7972 1 11 . 1 1 47 47 GLN C C 47 176.429 176.429 178.065 -1.636 18415 7973 1 11 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.940 0.968 18415 7974 1 11 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.398 1.579 18415 7975 1 11 . 1 1 47 47 GLN H H 47 7.054 7.054 7.669 -0.615 18415 7976 1 11 . 1 1 48 48 ASN N N 48 115.182 115.182 117.080 -1.898 18415 7977 1 11 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.255 -0.042 18415 7978 1 11 . 1 1 48 48 ASN C C 48 176.986 176.986 176.817 0.169 18415 7979 1 11 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.722 -0.693 18415 7980 1 11 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.207 -0.649 18415 7981 1 11 . 1 1 48 48 ASN H H 48 8.416 8.416 8.496 -0.080 18415 7982 1 11 . 1 1 49 49 PHE N N 49 118.413 118.413 116.070 2.343 18415 7983 1 11 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.337 -0.358 18415 7984 1 11 . 1 1 49 49 PHE C C 49 177.254 177.254 177.786 -0.532 18415 7985 1 11 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.662 -0.500 18415 7986 1 11 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.658 -1.575 18415 7987 1 11 . 1 1 49 49 PHE H H 49 7.473 7.473 7.898 -0.425 18415 7988 1 11 . 1 1 50 50 ILE N N 50 117.601 117.601 122.302 -4.701 18415 7989 1 11 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.909 -0.368 18415 7990 1 11 . 1 1 50 50 ILE C C 50 176.891 176.891 176.831 0.060 18415 7991 1 11 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.858 -3.206 18415 7992 1 11 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.979 1.230 18415 7993 1 11 . 1 1 50 50 ILE H H 50 7.020 7.020 7.784 -0.764 18415 7994 1 11 . 1 1 51 51 ILE N N 51 114.824 114.824 115.338 -0.514 18415 7995 1 11 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.032 -0.139 18415 7996 1 11 . 1 1 51 51 ILE C C 51 177.092 177.092 176.548 0.544 18415 7997 1 11 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.668 1.536 18415 7998 1 11 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.245 0.675 18415 7999 1 11 . 1 1 51 51 ILE H H 51 7.216 7.216 7.593 -0.377 18415 8000 1 11 . 1 1 52 52 GLN N N 52 116.767 116.767 117.961 -1.194 18415 8001 1 11 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.993 -0.223 18415 8002 1 11 . 1 1 52 52 GLN C C 52 176.442 176.442 176.761 -0.319 18415 8003 1 11 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.431 -0.161 18415 8004 1 11 . 1 1 52 52 GLN CB C 52 29.020 29.020 29.037 -0.017 18415 8005 1 11 . 1 1 52 52 GLN H H 52 6.416 6.416 7.317 -0.901 18415 8006 1 11 . 1 1 53 53 PHE N N 53 115.400 115.400 116.617 -1.217 18415 8007 1 11 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.423 0.154 18415 8008 1 11 . 1 1 53 53 PHE C C 53 174.993 174.993 175.957 -0.964 18415 8009 1 11 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.015 -2.120 18415 8010 1 11 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.195 -0.662 18415 8011 1 11 . 1 1 53 53 PHE H H 53 7.216 7.216 7.414 -0.198 18415 8012 1 11 . 1 1 54 54 LEU N N 54 118.096 118.096 119.926 -1.830 18415 8013 1 11 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.920 0.171 18415 8014 1 11 . 1 1 54 54 LEU C C 54 175.467 175.467 176.355 -0.888 18415 8015 1 11 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.259 -0.688 18415 8016 1 11 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.587 0.120 18415 8017 1 11 . 1 1 54 54 LEU H H 54 6.668 6.668 7.356 -0.688 18415 8018 1 11 . 1 1 55 55 ASP N N 55 123.723 123.723 122.816 0.907 18415 8019 1 11 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.652 0.163 18415 8020 1 11 . 1 1 55 55 ASP C C 55 177.896 177.896 176.793 1.103 18415 8021 1 11 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.446 -1.348 18415 8022 1 11 . 1 1 55 55 ASP CB C 55 42.662 42.662 41.901 0.761 18415 8023 1 11 . 1 1 55 55 ASP H H 55 8.687 8.687 8.483 0.204 18415 8024 1 11 . 1 1 56 56 ARG N N 56 124.370 124.370 126.994 -2.624 18415 8025 1 11 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.383 -0.073 18415 8026 1 11 . 1 1 56 56 ARG C C 56 178.201 178.201 175.764 2.437 18415 8027 1 11 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.066 1.892 18415 8028 1 11 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.066 2.512 18415 8029 1 11 . 1 1 56 56 ARG H H 56 8.758 8.758 8.890 -0.132 18415 8030 1 11 . 1 1 57 57 ARG N N 57 120.411 120.411 118.555 1.856 18415 8031 1 11 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.381 -0.087 18415 8032 1 11 . 1 1 57 57 ARG C C 57 177.064 177.064 174.910 2.154 18415 8033 1 11 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.357 1.175 18415 8034 1 11 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.527 -1.835 18415 8035 1 11 . 1 1 57 57 ARG H H 57 9.150 9.150 8.634 0.516 18415 8036 1 11 . 1 1 58 58 LEU N N 58 119.445 119.445 122.888 -3.443 18415 8037 1 11 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.548 0.156 18415 8038 1 11 . 1 1 58 58 LEU C C 58 176.450 176.450 176.230 0.220 18415 8039 1 11 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.487 0.792 18415 8040 1 11 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.480 0.778 18415 8041 1 11 . 1 1 58 58 LEU H H 58 8.328 8.328 7.728 0.600 18415 8042 1 11 . 1 1 59 59 SER N N 59 116.536 116.536 115.516 1.020 18415 8043 1 11 . 1 1 59 59 SER HA H 59 5.505 5.505 5.117 0.388 18415 8044 1 11 . 1 1 59 59 SER C C 59 173.263 173.263 173.605 -0.342 18415 8045 1 11 . 1 1 59 59 SER CA C 59 57.199 57.199 56.874 0.325 18415 8046 1 11 . 1 1 59 59 SER CB C 59 65.064 65.064 64.231 0.833 18415 8047 1 11 . 1 1 59 59 SER H H 59 8.470 8.470 8.312 0.158 18415 8048 1 11 . 1 1 60 60 TYR N N 60 120.274 120.274 123.893 -3.619 18415 8049 1 11 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.781 -0.504 18415 8050 1 11 . 1 1 60 60 TYR C C 60 175.560 175.560 175.605 -0.045 18415 8051 1 11 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.882 -0.410 18415 8052 1 11 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.670 1.837 18415 8053 1 11 . 1 1 60 60 TYR H H 60 8.897 8.897 9.075 -0.178 18415 8054 1 11 . 1 1 61 61 PHE N N 61 123.635 123.635 122.210 1.425 18415 8055 1 11 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.613 0.675 18415 8056 1 11 . 1 1 61 61 PHE C C 61 175.433 175.433 175.588 -0.155 18415 8057 1 11 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.825 0.250 18415 8058 1 11 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.385 1.484 18415 8059 1 11 . 1 1 61 61 PHE H H 61 9.521 9.521 9.128 0.393 18415 8060 1 11 . 1 1 62 62 LEU N N 62 114.382 114.382 120.655 -6.273 18415 8061 1 11 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.794 0.279 18415 8062 1 11 . 1 1 62 62 LEU C C 62 179.521 179.521 178.006 1.515 18415 8063 1 11 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.223 -1.440 18415 8064 1 11 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.342 1.934 18415 8065 1 11 . 1 1 62 62 LEU H H 62 8.394 8.394 8.110 0.284 18415 8066 1 11 . 1 1 63 63 GLY N N 63 106.675 106.675 108.177 -1.502 18415 8067 1 11 . 1 1 63 63 GLY C C 63 172.404 172.404 174.513 -2.109 18415 8068 1 11 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.274 2.119 18415 8069 1 11 . 1 1 63 63 GLY H H 63 9.253 9.253 8.886 0.367 18415 8070 1 11 . 1 1 64 64 LEU N N 64 124.754 124.754 122.638 2.116 18415 8071 1 11 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.021 0.563 18415 8072 1 11 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.763 -0.461 18415 8073 1 11 . 1 1 64 64 LEU CB C 64 43.272 43.272 41.480 1.792 18415 8074 1 11 . 1 1 64 64 LEU H H 64 6.840 6.840 7.698 -0.858 18415 8075 1 11 . 1 1 65 65 ARG N N 65 124.476 124.476 127.029 -2.553 18415 8076 1 11 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.405 0.755 18415 8077 1 11 . 1 1 65 65 ARG C C 65 174.245 174.245 173.869 0.376 18415 8078 1 11 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.616 0.288 18415 8079 1 11 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.871 0.660 18415 8080 1 11 . 1 1 65 65 ARG H H 65 8.218 8.218 9.277 -1.059 18415 8081 1 11 . 1 1 66 66 ASP N N 66 126.754 126.754 124.740 2.014 18415 8082 1 11 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.656 -0.227 18415 8083 1 11 . 1 1 66 66 ASP C C 66 176.516 176.516 174.790 1.726 18415 8084 1 11 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.766 -0.912 18415 8085 1 11 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.310 -3.542 18415 8086 1 11 . 1 1 66 66 ASP H H 66 8.756 8.756 7.882 0.874 18415 8087 1 11 . 1 1 67 67 GLU N N 67 123.390 123.390 121.502 1.888 18415 8088 1 11 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.250 -0.474 18415 8089 1 11 . 1 1 67 67 GLU C C 67 175.648 175.648 175.326 0.322 18415 8090 1 11 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.608 3.240 18415 8091 1 11 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.116 1.200 18415 8092 1 11 . 1 1 67 67 GLU H H 67 8.488 8.488 8.461 0.027 18415 8093 1 11 . 1 1 68 68 ASN N N 68 114.882 114.882 117.738 -2.856 18415 8094 1 11 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.651 0.013 18415 8095 1 11 . 1 1 68 68 ASN C C 68 174.482 174.482 173.705 0.777 18415 8096 1 11 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.535 -0.621 18415 8097 1 11 . 1 1 68 68 ASN CB C 68 39.412 39.412 39.994 -0.582 18415 8098 1 11 . 1 1 68 68 ASN H H 68 8.336 8.336 8.102 0.234 18415 8099 1 11 . 1 1 69 69 ALA N N 69 118.915 118.915 120.705 -1.790 18415 8100 1 11 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.836 0.038 18415 8101 1 11 . 1 1 69 69 ALA C C 69 177.082 177.082 177.208 -0.126 18415 8102 1 11 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.183 0.449 18415 8103 1 11 . 1 1 69 69 ALA CB C 69 17.171 17.171 16.253 0.918 18415 8104 1 11 . 1 1 69 69 ALA H H 69 7.444 7.444 7.938 -0.494 18415 8105 1 11 . 1 1 70 70 LYS N N 70 117.439 117.439 118.909 -1.470 18415 8106 1 11 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.026 0.292 18415 8107 1 11 . 1 1 70 70 LYS C C 70 177.726 177.726 178.046 -0.320 18415 8108 1 11 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.603 -1.180 18415 8109 1 11 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.719 0.017 18415 8110 1 11 . 1 1 70 70 LYS H H 70 7.925 7.925 8.598 -0.673 18415 8111 1 11 . 1 1 71 71 GLY C C 71 175.127 175.127 173.995 1.132 18415 8112 1 11 . 1 1 71 71 GLY CA C 71 45.674 45.674 44.888 0.786 18415 8113 1 11 . 1 1 72 72 GLN N N 72 124.084 124.084 119.831 4.253 18415 8114 1 11 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.483 -0.092 18415 8115 1 11 . 1 1 72 72 GLN C C 72 174.283 174.283 175.028 -0.745 18415 8116 1 11 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.185 -0.028 18415 8117 1 11 . 1 1 72 72 GLN CB C 72 27.633 27.633 29.064 -1.431 18415 8118 1 11 . 1 1 72 72 GLN H H 72 7.749 7.749 7.527 0.222 18415 8119 1 11 . 1 1 73 73 TRP N N 73 121.803 121.803 126.220 -4.417 18415 8120 1 11 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.740 -0.835 18415 8121 1 11 . 1 1 73 73 TRP C C 73 175.776 175.776 176.336 -0.560 18415 8122 1 11 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.095 -1.274 18415 8123 1 11 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.944 -1.068 18415 8124 1 11 . 1 1 73 73 TRP H H 73 6.599 6.599 8.704 -2.105 18415 8125 1 11 . 1 1 74 74 ARG N N 74 119.549 119.549 120.071 -0.522 18415 8126 1 11 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.768 -0.062 18415 8127 1 11 . 1 1 74 74 ARG C C 74 176.980 176.980 175.695 1.285 18415 8128 1 11 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.947 -0.614 18415 8129 1 11 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.307 0.316 18415 8130 1 11 . 1 1 74 74 ARG H H 74 8.443 8.443 9.073 -0.630 18415 8131 1 11 . 1 1 75 75 TRP N N 75 125.690 125.690 123.429 2.261 18415 8132 1 11 . 1 1 75 75 TRP HA H 75 5.427 5.427 4.911 0.516 18415 8133 1 11 . 1 1 75 75 TRP C C 75 180.474 180.474 177.390 3.084 18415 8134 1 11 . 1 1 75 75 TRP CA C 75 55.766 55.766 58.405 -2.639 18415 8135 1 11 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.137 0.893 18415 8136 1 11 . 1 1 75 75 TRP H H 75 9.052 9.052 9.296 -0.244 18415 8137 1 11 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.195 0.083 18415 8138 1 11 . 1 1 76 76 VAL C C 76 175.431 175.431 176.647 -1.216 18415 8139 1 11 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.341 0.223 18415 8140 1 11 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.089 0.280 18415 8141 1 11 . 1 1 77 77 ASP N N 77 119.941 119.941 118.311 1.630 18415 8142 1 11 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.783 -0.805 18415 8143 1 11 . 1 1 77 77 ASP C C 77 176.293 176.293 177.062 -0.769 18415 8144 1 11 . 1 1 77 77 ASP CA C 77 52.759 52.759 55.736 -2.977 18415 8145 1 11 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.035 -0.625 18415 8146 1 11 . 1 1 77 77 ASP H H 77 8.004 8.004 8.637 -0.633 18415 8147 1 11 . 1 1 78 78 GLN N N 78 109.962 109.962 118.290 -8.328 18415 8148 1 11 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.470 -0.345 18415 8149 1 11 . 1 1 78 78 GLN C C 78 176.387 176.387 175.482 0.905 18415 8150 1 11 . 1 1 78 78 GLN CA C 78 57.792 57.792 55.985 1.807 18415 8151 1 11 . 1 1 78 78 GLN CB C 78 26.101 26.101 31.069 -4.968 18415 8152 1 11 . 1 1 78 78 GLN H H 78 8.124 8.124 8.159 -0.035 18415 8153 1 11 . 1 1 79 79 THR N N 79 121.656 121.656 120.676 0.980 18415 8154 1 11 . 1 1 79 79 THR HA H 79 4.250 4.250 4.500 -0.250 18415 8155 1 11 . 1 1 79 79 THR C C 79 172.901 172.901 172.829 0.072 18415 8156 1 11 . 1 1 79 79 THR CA C 79 63.165 63.165 63.996 -0.831 18415 8157 1 11 . 1 1 79 79 THR CB C 79 69.427 69.427 68.893 0.534 18415 8158 1 11 . 1 1 79 79 THR H H 79 8.172 8.172 8.907 -0.735 18415 8159 1 11 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.664 -0.142 18415 8160 1 11 . 1 1 80 80 PRO C C 80 176.940 176.940 176.514 0.426 18415 8161 1 11 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.547 1.141 18415 8162 1 11 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.570 -0.383 18415 8163 1 11 . 1 1 81 81 PHE N N 81 125.403 125.403 121.602 3.801 18415 8164 1 11 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.463 0.446 18415 8165 1 11 . 1 1 81 81 PHE C C 81 174.853 174.853 174.944 -0.091 18415 8166 1 11 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.265 -0.912 18415 8167 1 11 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.890 0.129 18415 8168 1 11 . 1 1 81 81 PHE H H 81 9.015 9.015 8.331 0.684 18415 8169 1 11 . 1 1 82 82 ASN N N 82 129.264 129.264 127.291 1.973 18415 8170 1 11 . 1 1 82 82 ASN HA H 82 5.055 5.055 5.020 0.035 18415 8171 1 11 . 1 1 82 82 ASN C C 82 173.643 173.643 174.141 -0.498 18415 8172 1 11 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.735 -1.932 18415 8173 1 11 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.296 1.199 18415 8174 1 11 . 1 1 82 82 ASN H H 82 8.985 8.985 8.359 0.626 18415 8175 1 11 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.404 -0.401 18415 8176 1 11 . 1 1 83 83 PRO C C 83 177.123 177.123 177.020 0.103 18415 8177 1 11 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.573 -0.788 18415 8178 1 11 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.083 0.431 18415 8179 1 11 . 1 1 84 84 ARG N N 84 114.801 114.801 116.405 -1.604 18415 8180 1 11 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.378 -0.055 18415 8181 1 11 . 1 1 84 84 ARG C C 84 176.890 176.890 175.393 1.497 18415 8182 1 11 . 1 1 84 84 ARG CA C 84 56.003 56.003 55.286 0.717 18415 8183 1 11 . 1 1 84 84 ARG CB C 84 30.158 30.158 31.224 -1.066 18415 8184 1 11 . 1 1 84 84 ARG H H 84 7.697 7.697 7.978 -0.281 18415 8185 1 11 . 1 1 85 85 ARG N N 85 123.958 123.958 121.741 2.217 18415 8186 1 11 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.381 -0.076 18415 8187 1 11 . 1 1 85 85 ARG C C 85 173.017 173.017 174.143 -1.126 18415 8188 1 11 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.274 -0.465 18415 8189 1 11 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.120 -0.080 18415 8190 1 11 . 1 1 85 85 ARG H H 85 7.596 7.596 7.694 -0.098 18415 8191 1 11 . 1 1 86 86 VAL N N 86 110.039 110.039 122.070 -12.031 18415 8192 1 11 . 1 1 86 86 VAL HA H 86 3.799 3.799 4.002 -0.203 18415 8193 1 11 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.504 -3.237 18415 8194 1 11 . 1 1 86 86 VAL CB C 86 34.226 34.226 33.247 0.979 18415 8195 1 11 . 1 1 86 86 VAL H H 86 6.570 6.570 7.489 -0.919 18415 8196 1 11 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.342 -0.020 18415 8197 1 11 . 1 1 87 87 PHE C C 87 173.471 173.471 173.859 -0.388 18415 8198 1 11 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.985 -0.608 18415 8199 1 11 . 1 1 87 87 PHE CB C 87 37.384 37.384 39.182 -1.798 18415 8200 1 11 . 1 1 88 88 TRP N N 88 118.538 118.538 122.918 -4.380 18415 8201 1 11 . 1 1 88 88 TRP HA H 88 4.802 4.802 5.224 -0.422 18415 8202 1 11 . 1 1 88 88 TRP C C 88 179.297 179.297 175.802 3.495 18415 8203 1 11 . 1 1 88 88 TRP CA C 88 57.237 57.237 55.674 1.563 18415 8204 1 11 . 1 1 88 88 TRP CB C 88 31.550 31.550 32.689 -1.139 18415 8205 1 11 . 1 1 88 88 TRP H H 88 6.633 6.633 8.214 -1.581 18415 8206 1 11 . 1 1 89 89 HIS N N 89 122.693 122.693 116.432 6.261 18415 8207 1 11 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.893 -0.522 18415 8208 1 11 . 1 1 89 89 HIS C C 89 175.621 175.621 175.007 0.614 18415 8209 1 11 . 1 1 89 89 HIS CA C 89 58.121 58.121 55.287 2.834 18415 8210 1 11 . 1 1 89 89 HIS CB C 89 32.712 32.712 32.553 0.159 18415 8211 1 11 . 1 1 89 89 HIS H H 89 9.473 9.473 8.704 0.769 18415 8212 1 11 . 1 1 90 90 LYS N N 90 120.826 120.826 121.657 -0.831 18415 8213 1 11 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.431 -0.320 18415 8214 1 11 . 1 1 90 90 LYS C C 90 177.228 177.228 176.142 1.086 18415 8215 1 11 . 1 1 90 90 LYS CA C 90 58.242 58.242 54.550 3.692 18415 8216 1 11 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.077 -0.595 18415 8217 1 11 . 1 1 90 90 LYS H H 90 8.741 8.741 8.673 0.068 18415 8218 1 11 . 1 1 91 91 ASN N N 91 117.166 117.166 123.748 -6.582 18415 8219 1 11 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.504 -0.188 18415 8220 1 11 . 1 1 91 91 ASN C C 91 173.391 173.391 174.322 -0.931 18415 8221 1 11 . 1 1 91 91 ASN CA C 91 55.335 55.335 54.078 1.257 18415 8222 1 11 . 1 1 91 91 ASN CB C 91 37.385 37.385 37.980 -0.595 18415 8223 1 11 . 1 1 91 91 ASN H H 91 8.906 8.906 8.767 0.139 18415 8224 1 11 . 1 1 92 92 GLU N N 92 116.991 116.991 121.090 -4.099 18415 8225 1 11 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.644 -0.357 18415 8226 1 11 . 1 1 92 92 GLU C C 92 173.188 173.188 174.317 -1.129 18415 8227 1 11 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.723 -0.452 18415 8228 1 11 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.760 0.694 18415 8229 1 11 . 1 1 92 92 GLU H H 92 7.738 7.738 8.300 -0.562 18415 8230 1 11 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.654 -0.010 18415 8231 1 11 . 1 1 95 95 ASN C C 95 175.699 175.699 174.877 0.822 18415 8232 1 11 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.087 0.372 18415 8233 1 11 . 1 1 95 95 ASN CB C 95 38.725 38.725 37.936 0.789 18415 8234 1 11 . 1 1 96 96 SER N N 96 116.489 116.489 118.057 -1.568 18415 8235 1 11 . 1 1 96 96 SER HA H 96 4.405 4.405 4.454 -0.049 18415 8236 1 11 . 1 1 96 96 SER C C 96 174.831 174.831 173.322 1.509 18415 8237 1 11 . 1 1 96 96 SER CA C 96 58.753 58.753 58.296 0.457 18415 8238 1 11 . 1 1 96 96 SER CB C 96 64.216 64.216 62.446 1.770 18415 8239 1 11 . 1 1 96 96 SER H H 96 8.118 8.118 7.854 0.264 18415 8240 1 11 . 1 1 97 97 GLN N N 97 121.023 121.023 122.898 -1.875 18415 8241 1 11 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.506 -0.254 18415 8242 1 11 . 1 1 97 97 GLN C C 97 176.063 176.063 175.381 0.682 18415 8243 1 11 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.285 0.672 18415 8244 1 11 . 1 1 97 97 GLN CB C 97 29.528 29.528 30.270 -0.742 18415 8245 1 11 . 1 1 97 97 GLN H H 97 8.371 8.371 7.735 0.636 18415 8246 1 11 . 1 1 98 98 GLY N N 98 110.498 110.498 113.076 -2.578 18415 8247 1 11 . 1 1 98 98 GLY C C 98 172.460 172.460 173.837 -1.377 18415 8248 1 11 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.350 -0.414 18415 8249 1 11 . 1 1 98 98 GLY H H 98 8.080 8.080 8.502 -0.422 18415 8250 1 11 . 1 1 99 99 GLU N N 99 119.919 119.919 122.456 -2.537 18415 8251 1 11 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.249 0.022 18415 8252 1 11 . 1 1 99 99 GLU C C 99 176.605 176.605 175.746 0.859 18415 8253 1 11 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.577 -0.069 18415 8254 1 11 . 1 1 99 99 GLU CB C 99 29.469 29.469 30.433 -0.964 18415 8255 1 11 . 1 1 99 99 GLU H H 99 8.004 8.004 8.444 -0.440 18415 8256 1 11 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.534 0.746 18415 8257 1 11 . 1 1 100 100 ASN CA C 100 53.381 53.381 53.674 -0.293 18415 8258 1 11 . 1 1 100 100 ASN CB C 100 41.917 41.917 37.752 4.165 18415 8259 1 11 . 1 1 101 101 CYS N N 101 121.118 121.118 121.541 -0.423 18415 8260 1 11 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.091 0.399 18415 8261 1 11 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.279 1.059 18415 8262 1 11 . 1 1 101 101 CYS CB C 101 43.778 43.778 31.969 11.809 18415 8263 1 11 . 1 1 101 101 CYS H H 101 9.707 9.707 9.022 0.685 18415 8264 1 11 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.300 -0.114 18415 8265 1 11 . 1 1 102 102 VAL C C 102 175.530 175.530 175.007 0.523 18415 8266 1 11 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.918 3.115 18415 8267 1 11 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.697 2.457 18415 8268 1 11 . 1 1 103 103 VAL N N 103 115.890 115.890 118.586 -2.696 18415 8269 1 11 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.945 0.403 18415 8270 1 11 . 1 1 103 103 VAL C C 103 175.136 175.136 174.780 0.356 18415 8271 1 11 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.602 -0.865 18415 8272 1 11 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.929 0.205 18415 8273 1 11 . 1 1 103 103 VAL H H 103 8.698 8.698 8.142 0.556 18415 8274 1 11 . 1 1 104 104 LEU N N 104 124.477 124.477 124.451 0.026 18415 8275 1 11 . 1 1 104 104 LEU HA H 104 4.976 4.976 4.857 0.119 18415 8276 1 11 . 1 1 104 104 LEU C C 104 176.248 176.248 175.821 0.427 18415 8277 1 11 . 1 1 104 104 LEU CA C 104 54.993 54.993 55.045 -0.053 18415 8278 1 11 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.936 2.906 18415 8279 1 11 . 1 1 104 104 LEU H H 104 9.453 9.453 9.094 0.359 18415 8280 1 11 . 1 1 105 105 VAL N N 105 123.109 123.109 125.193 -2.084 18415 8281 1 11 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.605 0.410 18415 8282 1 11 . 1 1 105 105 VAL C C 105 173.635 173.635 173.577 0.058 18415 8283 1 11 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.476 1.757 18415 8284 1 11 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.352 0.282 18415 8285 1 11 . 1 1 105 105 VAL H H 105 9.477 9.477 8.617 0.860 18415 8286 1 11 . 1 1 106 106 TYR N N 106 136.491 136.491 129.226 7.265 18415 8287 1 11 . 1 1 106 106 TYR HA H 106 4.465 4.465 3.896 0.569 18415 8288 1 11 . 1 1 106 106 TYR C C 106 175.009 175.009 173.799 1.210 18415 8289 1 11 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.672 -0.623 18415 8290 1 11 . 1 1 106 106 TYR CB C 106 37.951 37.951 36.745 1.206 18415 8291 1 11 . 1 1 106 106 TYR H H 106 9.509 9.509 8.374 1.135 18415 8292 1 11 . 1 1 107 107 ASN N N 107 124.433 124.433 124.164 0.269 18415 8293 1 11 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.549 0.001 18415 8294 1 11 . 1 1 107 107 ASN C C 107 173.919 173.919 174.444 -0.525 18415 8295 1 11 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.031 -0.422 18415 8296 1 11 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.837 0.172 18415 8297 1 11 . 1 1 107 107 ASN H H 107 8.329 8.329 7.753 0.576 18415 8298 1 11 . 1 1 108 108 GLN N N 108 119.681 119.681 122.028 -2.347 18415 8299 1 11 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.923 -0.269 18415 8300 1 11 . 1 1 108 108 GLN C C 108 175.060 175.060 174.307 0.753 18415 8301 1 11 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.928 0.678 18415 8302 1 11 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.436 -1.172 18415 8303 1 11 . 1 1 108 108 GLN H H 108 8.558 8.558 8.990 -0.432 18415 8304 1 11 . 1 1 109 109 ASP N N 109 109.712 109.712 113.442 -3.730 18415 8305 1 11 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.490 0.487 18415 8306 1 11 . 1 1 109 109 ASP C C 109 174.354 174.354 174.646 -0.292 18415 8307 1 11 . 1 1 109 109 ASP CA C 109 55.199 55.199 54.906 0.293 18415 8308 1 11 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.079 -0.053 18415 8309 1 11 . 1 1 109 109 ASP H H 109 8.199 8.199 8.342 -0.143 18415 8310 1 11 . 1 1 110 110 LYS N N 110 115.590 115.590 115.697 -0.107 18415 8311 1 11 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.641 -0.089 18415 8312 1 11 . 1 1 110 110 LYS C C 110 174.674 174.674 175.220 -0.546 18415 8313 1 11 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.366 1.103 18415 8314 1 11 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.449 1.140 18415 8315 1 11 . 1 1 110 110 LYS H H 110 7.081 7.081 6.960 0.121 18415 8316 1 11 . 1 1 111 111 TRP N N 111 122.248 122.248 125.411 -3.163 18415 8317 1 11 . 1 1 111 111 TRP HA H 111 5.073 5.073 4.977 0.096 18415 8318 1 11 . 1 1 111 111 TRP C C 111 175.920 175.920 176.303 -0.383 18415 8319 1 11 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.119 -0.930 18415 8320 1 11 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.097 1.772 18415 8321 1 11 . 1 1 111 111 TRP H H 111 8.650 8.650 8.802 -0.152 18415 8322 1 11 . 1 1 112 112 ALA N N 112 124.184 124.184 125.943 -1.759 18415 8323 1 11 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.866 -0.698 18415 8324 1 11 . 1 1 112 112 ALA C C 112 174.995 174.995 175.397 -0.402 18415 8325 1 11 . 1 1 112 112 ALA CA C 112 52.315 52.315 50.878 1.437 18415 8326 1 11 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.009 -5.127 18415 8327 1 11 . 1 1 112 112 ALA H H 112 8.790 8.790 8.683 0.107 18415 8328 1 11 . 1 1 113 113 TRP N N 113 118.725 118.725 119.206 -0.481 18415 8329 1 11 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.456 0.700 18415 8330 1 11 . 1 1 113 113 TRP C C 113 177.471 177.471 177.039 0.432 18415 8331 1 11 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.684 -0.069 18415 8332 1 11 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.773 2.601 18415 8333 1 11 . 1 1 113 113 TRP H H 113 8.969 8.969 8.035 0.934 18415 8334 1 11 . 1 1 114 114 ASN N N 114 120.479 120.479 119.262 1.217 18415 8335 1 11 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.304 0.186 18415 8336 1 11 . 1 1 114 114 ASN C C 114 174.708 174.708 173.682 1.026 18415 8337 1 11 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.730 -0.973 18415 8338 1 11 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.515 -0.497 18415 8339 1 11 . 1 1 114 114 ASN H H 114 9.518 9.518 8.603 0.915 18415 8340 1 11 . 1 1 115 115 ASP N N 115 118.209 118.209 126.159 -7.950 18415 8341 1 11 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.986 0.885 18415 8342 1 11 . 1 1 115 115 ASP C C 115 174.291 174.291 175.506 -1.215 18415 8343 1 11 . 1 1 115 115 ASP CA C 115 52.187 52.187 56.140 -3.953 18415 8344 1 11 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.187 -0.683 18415 8345 1 11 . 1 1 115 115 ASP H H 115 8.563 8.563 8.936 -0.373 18415 8346 1 11 . 1 1 116 116 VAL N N 116 118.669 118.669 117.837 0.832 18415 8347 1 11 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.570 0.325 18415 8348 1 11 . 1 1 116 116 VAL C C 116 172.334 172.334 173.339 -1.005 18415 8349 1 11 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.504 -0.223 18415 8350 1 11 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.799 -0.466 18415 8351 1 11 . 1 1 116 116 VAL H H 116 9.369 9.369 8.870 0.499 18415 8352 1 11 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.721 0.213 18415 8353 1 11 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.957 0.119 18415 8354 1 11 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.691 0.668 18415 8355 1 11 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.563 -0.113 18415 8356 1 11 . 1 1 118 118 CYS C C 118 175.583 175.583 175.814 -0.231 18415 8357 1 11 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.331 -1.427 18415 8358 1 11 . 1 1 118 118 CYS CB C 118 43.841 43.841 27.439 16.402 18415 8359 1 11 . 1 1 119 119 ASN N N 119 117.251 117.251 118.729 -1.478 18415 8360 1 11 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.743 0.170 18415 8361 1 11 . 1 1 119 119 ASN C C 119 174.849 174.849 173.830 1.019 18415 8362 1 11 . 1 1 119 119 ASN CA C 119 53.142 53.142 52.823 0.319 18415 8363 1 11 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.373 -1.297 18415 8364 1 11 . 1 1 119 119 ASN H H 119 8.411 8.411 8.551 -0.140 18415 8365 1 11 . 1 1 120 120 PHE N N 120 123.415 123.415 123.016 0.399 18415 8366 1 11 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.851 -0.305 18415 8367 1 11 . 1 1 120 120 PHE C C 120 173.156 173.156 174.567 -1.411 18415 8368 1 11 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.059 1.301 18415 8369 1 11 . 1 1 120 120 PHE CB C 120 40.449 40.449 42.513 -2.064 18415 8370 1 11 . 1 1 120 120 PHE H H 120 8.097 8.097 7.929 0.168 18415 8371 1 11 . 1 1 121 121 GLU N N 121 119.143 119.143 127.198 -8.055 18415 8372 1 11 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.220 0.333 18415 8373 1 11 . 1 1 121 121 GLU C C 121 174.732 174.732 175.406 -0.674 18415 8374 1 11 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.534 -2.946 18415 8375 1 11 . 1 1 121 121 GLU CB C 121 30.420 30.420 28.372 2.048 18415 8376 1 11 . 1 1 121 121 GLU H H 121 7.012 7.012 8.491 -1.479 18415 8377 1 11 . 1 1 122 122 ALA N N 122 125.793 125.793 126.862 -1.069 18415 8378 1 11 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.495 -0.024 18415 8379 1 11 . 1 1 122 122 ALA C C 122 177.616 177.616 175.592 2.024 18415 8380 1 11 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.750 0.493 18415 8381 1 11 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.236 -1.634 18415 8382 1 11 . 1 1 122 122 ALA H H 122 8.441 8.441 8.613 -0.172 18415 8383 1 11 . 1 1 123 123 SER N N 123 115.420 115.420 114.339 1.081 18415 8384 1 11 . 1 1 123 123 SER HA H 123 4.522 4.522 5.379 -0.857 18415 8385 1 11 . 1 1 123 123 SER C C 123 172.514 172.514 174.827 -2.313 18415 8386 1 11 . 1 1 123 123 SER CA C 123 60.661 60.661 57.034 3.627 18415 8387 1 11 . 1 1 123 123 SER CB C 123 62.943 62.943 64.103 -1.160 18415 8388 1 11 . 1 1 123 123 SER H H 123 7.716 7.716 8.066 -0.350 18415 8389 1 11 . 1 1 124 124 ARG N N 124 112.529 112.529 116.444 -3.915 18415 8390 1 11 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.082 0.408 18415 8391 1 11 . 1 1 124 124 ARG C C 124 173.779 173.779 174.149 -0.370 18415 8392 1 11 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.511 0.428 18415 8393 1 11 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.846 -1.921 18415 8394 1 11 . 1 1 124 124 ARG H H 124 8.840 8.840 8.759 0.081 18415 8395 1 11 . 1 1 125 125 ILE N N 125 116.525 116.525 120.136 -3.611 18415 8396 1 11 . 1 1 125 125 ILE HA H 125 4.718 4.718 5.039 -0.321 18415 8397 1 11 . 1 1 125 125 ILE C C 125 175.656 175.656 174.897 0.759 18415 8398 1 11 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.534 1.302 18415 8399 1 11 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.973 -0.415 18415 8400 1 11 . 1 1 125 125 ILE H H 125 6.989 6.989 8.056 -1.067 18415 8401 1 11 . 1 1 126 126 CYS N N 126 123.910 123.910 126.348 -2.438 18415 8402 1 11 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.001 0.569 18415 8403 1 11 . 1 1 126 126 CYS C C 126 173.662 173.662 172.976 0.686 18415 8404 1 11 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.600 -5.760 18415 8405 1 11 . 1 1 126 126 CYS CB C 126 39.141 39.141 30.385 8.756 18415 8406 1 11 . 1 1 126 126 CYS H H 126 8.288 8.288 8.970 -0.682 18415 8407 1 11 . 1 1 127 127 LYS N N 127 124.170 124.170 123.742 0.428 18415 8408 1 11 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.260 0.359 18415 8409 1 11 . 1 1 127 127 LYS C C 127 174.637 174.637 174.660 -0.023 18415 8410 1 11 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.876 0.359 18415 8411 1 11 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.974 2.543 18415 8412 1 11 . 1 1 127 127 LYS H H 127 9.681 9.681 9.290 0.391 18415 8413 1 11 . 1 1 128 128 ILE N N 128 129.226 129.226 125.566 3.660 18415 8414 1 11 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.837 0.063 18415 8415 1 11 . 1 1 128 128 ILE C C 128 172.463 172.463 172.956 -0.493 18415 8416 1 11 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.188 1.196 18415 8417 1 11 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.674 1.214 18415 8418 1 11 . 1 1 128 128 ILE H H 128 9.205 9.205 9.206 -0.001 18415 8419 1 11 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.375 0.616 18415 8420 1 11 . 1 1 129 129 PRO C C 129 177.954 177.954 177.108 0.846 18415 8421 1 11 . 1 1 129 129 PRO CA C 129 62.624 62.624 63.023 -0.399 18415 8422 1 11 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.491 0.010 18415 8423 1 11 . 1 1 130 130 GLY N N 130 110.745 110.745 107.715 3.030 18415 8424 1 11 . 1 1 130 130 GLY C C 130 175.022 175.022 175.350 -0.328 18415 8425 1 11 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.935 0.321 18415 8426 1 11 . 1 1 130 130 GLY H H 130 8.673 8.673 8.740 -0.067 18415 8427 1 11 . 1 1 131 131 THR N N 131 112.246 112.246 110.445 1.801 18415 8428 1 11 . 1 1 131 131 THR HA H 131 4.427 4.427 3.864 0.563 18415 8429 1 11 . 1 1 131 131 THR C C 131 175.259 175.259 175.662 -0.403 18415 8430 1 11 . 1 1 131 131 THR CA C 131 61.500 61.500 64.474 -2.974 18415 8431 1 11 . 1 1 131 131 THR CB C 131 69.998 69.998 66.436 3.562 18415 8432 1 11 . 1 1 131 131 THR H H 131 7.870 7.870 8.182 -0.312 18415 8433 1 11 . 1 1 132 132 THR N N 132 116.455 116.455 112.544 3.911 18415 8434 1 11 . 1 1 132 132 THR HA H 132 4.281 4.281 4.182 0.099 18415 8435 1 11 . 1 1 132 132 THR C C 132 174.867 174.867 175.994 -1.127 18415 8436 1 11 . 1 1 132 132 THR CA C 132 62.453 62.453 63.496 -1.043 18415 8437 1 11 . 1 1 132 132 THR CB C 132 69.868 69.868 68.545 1.323 18415 8438 1 11 . 1 1 132 132 THR H H 132 8.120 8.120 7.183 0.937 18415 8439 1 11 . 1 1 133 133 LEU N N 133 124.001 124.001 120.915 3.086 18415 8440 1 11 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.138 0.124 18415 8441 1 11 . 1 1 133 133 LEU C C 133 177.365 177.365 177.658 -0.293 18415 8442 1 11 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.849 -1.102 18415 8443 1 11 . 1 1 133 133 LEU CB C 133 42.322 42.322 40.034 2.288 18415 8444 1 11 . 1 1 133 133 LEU H H 133 8.117 8.117 8.008 0.109 18415 8445 1 11 . 1 1 134 134 ASN N N 134 119.222 119.222 117.885 1.337 18415 8446 1 11 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.704 -0.083 18415 8447 1 11 . 1 1 134 134 ASN C C 134 175.725 175.725 176.559 -0.834 18415 8448 1 11 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.032 -1.407 18415 8449 1 11 . 1 1 134 134 ASN CB C 134 38.836 38.836 40.201 -1.365 18415 8450 1 11 . 1 1 134 134 ASN H H 134 8.325 8.325 7.756 0.569 18415 8451 1 11 . 1 1 135 135 ALA N N 135 123.649 123.649 121.954 1.695 18415 8452 1 11 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.442 -0.313 18415 8453 1 11 . 1 1 135 135 ALA C C 135 179.061 179.061 179.562 -0.501 18415 8454 1 11 . 1 1 135 135 ALA CA C 135 53.932 53.932 53.452 0.480 18415 8455 1 11 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.572 0.367 18415 8456 1 11 . 1 1 135 135 ALA H H 135 8.205 8.205 7.468 0.737 18415 8457 1 11 . 1 1 136 136 GLU N N 136 119.187 119.187 120.243 -1.056 18415 8458 1 11 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.049 0.156 18415 8459 1 11 . 1 1 136 136 GLU C C 136 177.504 177.504 178.917 -1.413 18415 8460 1 11 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.500 -1.621 18415 8461 1 11 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.234 0.412 18415 8462 1 11 . 1 1 136 136 GLU H H 136 8.349 8.349 8.638 -0.289 18415 8463 1 11 . 1 1 137 137 ASN N N 137 118.988 118.988 118.627 0.361 18415 8464 1 11 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.665 -0.028 18415 8465 1 11 . 1 1 137 137 ASN C C 137 176.785 176.785 177.582 -0.797 18415 8466 1 11 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.357 -0.883 18415 8467 1 11 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.449 0.260 18415 8468 1 11 . 1 1 137 137 ASN H H 137 8.259 8.259 7.720 0.539 18415 8469 1 11 . 1 1 138 138 LEU N N 138 121.438 121.438 121.607 -0.169 18415 8470 1 11 . 1 1 138 138 LEU HA H 138 4.135 4.135 3.975 0.160 18415 8471 1 11 . 1 1 138 138 LEU C C 138 178.872 178.872 178.330 0.542 18415 8472 1 11 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.058 -1.131 18415 8473 1 11 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.096 -0.096 18415 8474 1 11 . 1 1 138 138 LEU H H 138 8.084 8.084 7.437 0.647 18415 8475 1 11 . 1 1 139 139 TYR N N 139 120.558 120.558 118.668 1.890 18415 8476 1 11 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.094 0.192 18415 8477 1 11 . 1 1 139 139 TYR C C 139 177.587 177.587 176.958 0.629 18415 8478 1 11 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.304 -1.159 18415 8479 1 11 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.684 -0.318 18415 8480 1 11 . 1 1 139 139 TYR H H 139 8.130 8.130 8.274 -0.144 18415 8481 1 11 . 1 1 140 140 PHE N N 140 120.508 120.508 118.058 2.450 18415 8482 1 11 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.250 0.105 18415 8483 1 11 . 1 1 140 140 PHE C C 140 177.425 177.425 177.093 0.332 18415 8484 1 11 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.156 -0.526 18415 8485 1 11 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.893 -0.641 18415 8486 1 11 . 1 1 140 140 PHE H H 140 8.275 8.275 7.877 0.398 18415 8487 1 11 . 1 1 141 141 GLN N N 141 119.274 119.274 117.771 1.503 18415 8488 1 11 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.143 -0.030 18415 8489 1 11 . 1 1 141 141 GLN C C 141 176.976 176.976 176.596 0.380 18415 8490 1 11 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.332 1.031 18415 8491 1 11 . 1 1 141 141 GLN CB C 141 29.028 29.028 28.990 0.038 18415 8492 1 11 . 1 1 141 141 GLN H H 141 8.250 8.250 8.501 -0.251 18415 8493 1 12 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.426 -0.639 18415 8494 1 12 . 1 1 2 2 VAL C C 2 172.250 172.250 173.210 -0.960 18415 8495 1 12 . 1 1 2 2 VAL CA C 2 61.294 61.294 60.738 0.556 18415 8496 1 12 . 1 1 2 2 VAL CB C 2 33.708 33.708 34.884 -1.176 18415 8497 1 12 . 1 1 3 3 CYS N N 3 121.988 121.988 121.925 0.063 18415 8498 1 12 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.922 0.283 18415 8499 1 12 . 1 1 3 3 CYS C C 3 171.993 171.993 172.813 -0.820 18415 8500 1 12 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.514 -4.470 18415 8501 1 12 . 1 1 3 3 CYS CB C 3 39.461 39.461 28.573 10.888 18415 8502 1 12 . 1 1 3 3 CYS H H 3 8.628 8.628 8.696 -0.068 18415 8503 1 12 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.925 -0.102 18415 8504 1 12 . 1 1 5 5 ILE C C 5 176.622 176.622 176.188 0.434 18415 8505 1 12 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.380 -0.080 18415 8506 1 12 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.821 0.223 18415 8507 1 12 . 1 1 6 6 ASP N N 6 117.894 117.894 118.704 -0.810 18415 8508 1 12 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.524 -0.180 18415 8509 1 12 . 1 1 6 6 ASP H H 6 8.606 8.606 8.338 0.268 18415 8510 1 12 . 1 1 7 7 TRP N N 7 120.564 120.564 121.798 -1.234 18415 8511 1 12 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.677 0.013 18415 8512 1 12 . 1 1 7 7 TRP C C 7 176.415 176.415 175.810 0.605 18415 8513 1 12 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.141 0.897 18415 8514 1 12 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.267 -0.496 18415 8515 1 12 . 1 1 7 7 TRP H H 7 8.208 8.208 7.564 0.644 18415 8516 1 12 . 1 1 8 8 ARG N N 8 119.872 119.872 125.652 -5.780 18415 8517 1 12 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.290 0.396 18415 8518 1 12 . 1 1 8 8 ARG C C 8 176.146 176.146 175.686 0.460 18415 8519 1 12 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.654 -0.713 18415 8520 1 12 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.971 1.592 18415 8521 1 12 . 1 1 8 8 ARG H H 8 9.456 9.456 8.820 0.636 18415 8522 1 12 . 1 1 9 9 ALA N N 9 127.265 127.265 130.464 -3.199 18415 8523 1 12 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.596 0.795 18415 8524 1 12 . 1 1 9 9 ALA C C 9 176.927 176.927 176.413 0.514 18415 8525 1 12 . 1 1 9 9 ALA CA C 9 52.010 52.010 52.020 -0.010 18415 8526 1 12 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.583 3.080 18415 8527 1 12 . 1 1 9 9 ALA H H 9 8.819 8.819 8.254 0.565 18415 8528 1 12 . 1 1 10 10 PHE N N 10 120.450 120.450 127.080 -6.630 18415 8529 1 12 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.831 -0.637 18415 8530 1 12 . 1 1 10 10 PHE C C 10 174.606 174.606 174.925 -0.319 18415 8531 1 12 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.713 0.813 18415 8532 1 12 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.579 -0.718 18415 8533 1 12 . 1 1 10 10 PHE H H 10 8.202 8.202 9.238 -1.036 18415 8534 1 12 . 1 1 11 11 GLN N N 11 126.391 126.391 124.657 1.734 18415 8535 1 12 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.628 -0.167 18415 8536 1 12 . 1 1 11 11 GLN C C 11 175.859 175.859 175.429 0.430 18415 8537 1 12 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.203 -0.951 18415 8538 1 12 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.084 -1.122 18415 8539 1 12 . 1 1 11 11 GLN H H 11 8.872 8.872 8.763 0.109 18415 8540 1 12 . 1 1 12 12 SER N N 12 113.087 113.087 114.526 -1.439 18415 8541 1 12 . 1 1 12 12 SER HA H 12 4.252 4.252 4.499 -0.247 18415 8542 1 12 . 1 1 12 12 SER C C 12 173.339 173.339 172.693 0.646 18415 8543 1 12 . 1 1 12 12 SER CA C 12 59.795 59.795 58.081 1.714 18415 8544 1 12 . 1 1 12 12 SER CB C 12 62.943 62.943 65.674 -2.731 18415 8545 1 12 . 1 1 12 12 SER H H 12 8.189 8.189 8.207 -0.018 18415 8546 1 12 . 1 1 13 13 ASN N N 13 118.336 118.336 119.521 -1.185 18415 8547 1 12 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.965 0.291 18415 8548 1 12 . 1 1 13 13 ASN C C 13 174.330 174.330 172.910 1.420 18415 8549 1 12 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.318 0.024 18415 8550 1 12 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.313 1.145 18415 8551 1 12 . 1 1 13 13 ASN H H 13 8.242 8.242 7.920 0.322 18415 8552 1 12 . 1 1 14 14 CYS N N 14 118.315 118.315 117.186 1.129 18415 8553 1 12 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.223 0.638 18415 8554 1 12 . 1 1 14 14 CYS C C 14 174.314 174.314 173.102 1.212 18415 8555 1 12 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.748 -4.063 18415 8556 1 12 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.840 14.179 18415 8557 1 12 . 1 1 14 14 CYS H H 14 8.592 8.592 8.623 -0.031 18415 8558 1 12 . 1 1 15 15 TYR N N 15 121.588 121.588 120.495 1.093 18415 8559 1 12 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.566 0.211 18415 8560 1 12 . 1 1 15 15 TYR C C 15 176.333 176.333 174.779 1.554 18415 8561 1 12 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.857 1.759 18415 8562 1 12 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.258 3.325 18415 8563 1 12 . 1 1 15 15 TYR H H 15 9.947 9.947 9.271 0.676 18415 8564 1 12 . 1 1 16 16 PHE N N 16 121.989 121.989 124.439 -2.450 18415 8565 1 12 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.911 0.000 18415 8566 1 12 . 1 1 16 16 PHE C C 16 172.937 172.937 173.168 -0.231 18415 8567 1 12 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.821 -0.423 18415 8568 1 12 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.895 -1.825 18415 8569 1 12 . 1 1 16 16 PHE H H 16 8.717 8.717 9.500 -0.783 18415 8570 1 12 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.538 0.578 18415 8571 1 12 . 1 1 17 17 PRO C C 17 175.445 175.445 175.141 0.304 18415 8572 1 12 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.881 -0.393 18415 8573 1 12 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.562 0.429 18415 8574 1 12 . 1 1 18 18 LEU N N 18 126.062 126.062 122.161 3.901 18415 8575 1 12 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.887 -0.206 18415 8576 1 12 . 1 1 18 18 LEU C C 18 177.391 177.391 175.914 1.477 18415 8577 1 12 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.439 1.921 18415 8578 1 12 . 1 1 18 18 LEU CB C 18 45.482 45.482 45.078 0.404 18415 8579 1 12 . 1 1 18 18 LEU H H 18 9.054 9.054 8.452 0.602 18415 8580 1 12 . 1 1 19 19 THR N N 19 109.256 109.256 111.216 -1.960 18415 8581 1 12 . 1 1 19 19 THR HA H 19 4.612 4.612 4.356 0.256 18415 8582 1 12 . 1 1 19 19 THR C C 19 175.613 175.613 174.164 1.449 18415 8583 1 12 . 1 1 19 19 THR CA C 19 62.236 62.236 60.749 1.487 18415 8584 1 12 . 1 1 19 19 THR CB C 19 69.530 69.530 68.659 0.871 18415 8585 1 12 . 1 1 19 19 THR H H 19 8.303 8.303 8.569 -0.266 18415 8586 1 12 . 1 1 20 20 ASP N N 20 121.645 121.645 121.878 -0.233 18415 8587 1 12 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.504 -0.047 18415 8588 1 12 . 1 1 20 20 ASP C C 20 174.684 174.684 175.406 -0.722 18415 8589 1 12 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.707 -0.589 18415 8590 1 12 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.497 -1.428 18415 8591 1 12 . 1 1 20 20 ASP H H 20 8.834 8.834 7.949 0.885 18415 8592 1 12 . 1 1 21 21 ASN N N 21 118.648 118.648 120.352 -1.704 18415 8593 1 12 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.721 -0.075 18415 8594 1 12 . 1 1 21 21 ASN C C 21 176.542 176.542 174.829 1.713 18415 8595 1 12 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.591 -1.139 18415 8596 1 12 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.036 0.417 18415 8597 1 12 . 1 1 21 21 ASN H H 21 8.113 8.113 8.532 -0.419 18415 8598 1 12 . 1 1 22 22 LYS N N 22 122.470 122.470 123.426 -0.956 18415 8599 1 12 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.985 -0.129 18415 8600 1 12 . 1 1 22 22 LYS C C 22 176.711 176.711 175.846 0.865 18415 8601 1 12 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.533 1.132 18415 8602 1 12 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.432 2.107 18415 8603 1 12 . 1 1 22 22 LYS H H 22 8.794 8.794 8.858 -0.064 18415 8604 1 12 . 1 1 23 23 THR N N 23 109.009 109.009 114.475 -5.466 18415 8605 1 12 . 1 1 23 23 THR HA H 23 5.647 5.647 4.974 0.673 18415 8606 1 12 . 1 1 23 23 THR C C 23 178.411 178.411 175.527 2.884 18415 8607 1 12 . 1 1 23 23 THR CA C 23 61.773 61.773 60.592 1.181 18415 8608 1 12 . 1 1 23 23 THR CB C 23 71.820 71.820 69.990 1.830 18415 8609 1 12 . 1 1 23 23 THR H H 23 8.250 8.250 8.325 -0.075 18415 8610 1 12 . 1 1 24 24 TRP N N 24 126.345 126.345 123.156 3.189 18415 8611 1 12 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.883 -0.853 18415 8612 1 12 . 1 1 24 24 TRP C C 24 178.204 178.204 177.027 1.177 18415 8613 1 12 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.767 1.814 18415 8614 1 12 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.426 1.228 18415 8615 1 12 . 1 1 24 24 TRP H H 24 8.279 8.279 7.933 0.346 18415 8616 1 12 . 1 1 25 25 ALA N N 25 119.965 119.965 120.626 -0.661 18415 8617 1 12 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.937 0.011 18415 8618 1 12 . 1 1 25 25 ALA C C 25 182.089 182.089 179.879 2.210 18415 8619 1 12 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.296 0.594 18415 8620 1 12 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.052 0.203 18415 8621 1 12 . 1 1 25 25 ALA H H 25 9.634 9.634 7.843 1.791 18415 8622 1 12 . 1 1 26 26 GLU N N 26 116.492 116.492 117.880 -1.388 18415 8623 1 12 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.976 0.087 18415 8624 1 12 . 1 1 26 26 GLU C C 26 179.756 179.756 179.043 0.713 18415 8625 1 12 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.947 -0.652 18415 8626 1 12 . 1 1 26 26 GLU CB C 26 30.483 30.483 28.994 1.489 18415 8627 1 12 . 1 1 26 26 GLU H H 26 7.392 7.392 7.987 -0.595 18415 8628 1 12 . 1 1 27 27 SER N N 27 121.197 121.197 115.920 5.277 18415 8629 1 12 . 1 1 27 27 SER HA H 27 3.855 3.855 4.073 -0.218 18415 8630 1 12 . 1 1 27 27 SER C C 27 174.299 174.299 176.530 -2.231 18415 8631 1 12 . 1 1 27 27 SER CA C 27 63.344 63.344 62.213 1.131 18415 8632 1 12 . 1 1 27 27 SER CB C 27 62.329 62.329 62.831 -0.502 18415 8633 1 12 . 1 1 27 27 SER H H 27 8.596 8.596 8.455 0.141 18415 8634 1 12 . 1 1 28 28 GLU N N 28 124.173 124.173 120.588 3.585 18415 8635 1 12 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.867 0.401 18415 8636 1 12 . 1 1 28 28 GLU C C 28 178.856 178.856 178.805 0.051 18415 8637 1 12 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.530 -0.331 18415 8638 1 12 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.940 -2.040 18415 8639 1 12 . 1 1 28 28 GLU H H 28 8.133 8.133 7.742 0.391 18415 8640 1 12 . 1 1 29 29 ARG N N 29 120.498 120.498 119.589 0.909 18415 8641 1 12 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.096 -0.053 18415 8642 1 12 . 1 1 29 29 ARG C C 29 179.339 179.339 178.409 0.930 18415 8643 1 12 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.183 0.508 18415 8644 1 12 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.445 -0.209 18415 8645 1 12 . 1 1 29 29 ARG H H 29 7.962 7.962 7.823 0.139 18415 8646 1 12 . 1 1 30 30 ASN N N 30 119.000 119.000 117.188 1.812 18415 8647 1 12 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.603 -0.156 18415 8648 1 12 . 1 1 30 30 ASN C C 30 178.153 178.153 175.947 2.206 18415 8649 1 12 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.451 2.199 18415 8650 1 12 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.487 0.949 18415 8651 1 12 . 1 1 30 30 ASN H H 30 7.960 7.960 8.289 -0.329 18415 8652 1 12 . 1 1 31 31 CYS N N 31 116.301 116.301 117.147 -0.846 18415 8653 1 12 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.773 -0.292 18415 8654 1 12 . 1 1 31 31 CYS C C 31 178.072 178.072 176.009 2.063 18415 8655 1 12 . 1 1 31 31 CYS CA C 31 56.410 56.410 58.672 -2.262 18415 8656 1 12 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.624 6.085 18415 8657 1 12 . 1 1 31 31 CYS H H 31 8.477 8.477 7.886 0.591 18415 8658 1 12 . 1 1 32 32 SER N N 32 119.834 119.834 114.256 5.578 18415 8659 1 12 . 1 1 32 32 SER HA H 32 4.700 4.700 4.501 0.199 18415 8660 1 12 . 1 1 32 32 SER C C 32 179.062 179.062 176.786 2.276 18415 8661 1 12 . 1 1 32 32 SER CA C 32 61.663 61.663 60.930 0.733 18415 8662 1 12 . 1 1 32 32 SER CB C 32 62.655 62.655 62.459 0.196 18415 8663 1 12 . 1 1 32 32 SER H H 32 9.206 9.206 8.996 0.210 18415 8664 1 12 . 1 1 33 33 GLY N N 33 111.632 111.632 109.877 1.755 18415 8665 1 12 . 1 1 33 33 GLY C C 33 174.861 174.861 174.939 -0.078 18415 8666 1 12 . 1 1 33 33 GLY CA C 33 46.667 46.667 46.666 0.001 18415 8667 1 12 . 1 1 33 33 GLY H H 33 8.053 8.053 7.916 0.137 18415 8668 1 12 . 1 1 34 34 MET N N 34 116.998 116.998 119.212 -2.214 18415 8669 1 12 . 1 1 34 34 MET HA H 34 4.596 4.596 4.627 -0.031 18415 8670 1 12 . 1 1 34 34 MET C C 34 175.356 175.356 175.782 -0.426 18415 8671 1 12 . 1 1 34 34 MET CA C 34 54.887 54.887 55.022 -0.135 18415 8672 1 12 . 1 1 34 34 MET CB C 34 33.959 33.959 32.973 0.986 18415 8673 1 12 . 1 1 34 34 MET H H 34 7.441 7.441 8.237 -0.796 18415 8674 1 12 . 1 1 35 35 GLY N N 35 106.474 106.474 107.657 -1.183 18415 8675 1 12 . 1 1 35 35 GLY C C 35 173.112 173.112 173.690 -0.578 18415 8676 1 12 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.079 0.322 18415 8677 1 12 . 1 1 35 35 GLY H H 35 7.807 7.807 7.845 -0.038 18415 8678 1 12 . 1 1 36 36 ALA N N 36 121.833 121.833 121.022 0.811 18415 8679 1 12 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.448 0.254 18415 8680 1 12 . 1 1 36 36 ALA C C 36 174.285 174.285 175.313 -1.028 18415 8681 1 12 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.209 -1.488 18415 8682 1 12 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.159 3.503 18415 8683 1 12 . 1 1 36 36 ALA H H 36 7.693 7.693 7.417 0.276 18415 8684 1 12 . 1 1 37 37 HIS N N 37 111.683 111.683 115.551 -3.868 18415 8685 1 12 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.249 -0.118 18415 8686 1 12 . 1 1 37 37 HIS C C 37 175.351 175.351 174.086 1.265 18415 8687 1 12 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.225 -0.652 18415 8688 1 12 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.629 0.342 18415 8689 1 12 . 1 1 37 37 HIS H H 37 8.078 8.078 8.999 -0.921 18415 8690 1 12 . 1 1 38 38 LEU N N 38 123.260 123.260 124.028 -0.768 18415 8691 1 12 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.404 0.369 18415 8692 1 12 . 1 1 38 38 LEU C C 38 179.180 179.180 176.311 2.869 18415 8693 1 12 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.298 1.068 18415 8694 1 12 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.484 1.171 18415 8695 1 12 . 1 1 38 38 LEU H H 38 9.964 9.964 8.828 1.136 18415 8696 1 12 . 1 1 39 39 MET N N 39 119.511 119.511 127.675 -8.164 18415 8697 1 12 . 1 1 39 39 MET HA H 39 3.855 3.855 4.484 -0.629 18415 8698 1 12 . 1 1 39 39 MET C C 39 174.874 174.874 175.230 -0.356 18415 8699 1 12 . 1 1 39 39 MET CA C 39 58.789 58.789 56.838 1.951 18415 8700 1 12 . 1 1 39 39 MET CB C 39 34.405 34.405 33.041 1.364 18415 8701 1 12 . 1 1 39 39 MET H H 39 8.409 8.409 8.805 -0.396 18415 8702 1 12 . 1 1 40 40 THR N N 40 123.771 123.771 118.969 4.802 18415 8703 1 12 . 1 1 40 40 THR HA H 40 4.013 4.013 4.525 -0.512 18415 8704 1 12 . 1 1 40 40 THR C C 40 172.936 172.936 173.254 -0.318 18415 8705 1 12 . 1 1 40 40 THR CA C 40 59.869 59.869 59.231 0.638 18415 8706 1 12 . 1 1 40 40 THR CB C 40 70.587 70.587 69.228 1.359 18415 8707 1 12 . 1 1 40 40 THR H H 40 6.822 6.822 8.483 -1.661 18415 8708 1 12 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.107 0.142 18415 8709 1 12 . 1 1 41 41 ILE C C 41 174.349 174.349 175.021 -0.672 18415 8710 1 12 . 1 1 41 41 ILE CA C 41 59.757 59.757 61.792 -2.035 18415 8711 1 12 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.263 1.308 18415 8712 1 12 . 1 1 42 42 SER N N 42 122.113 122.113 121.274 0.839 18415 8713 1 12 . 1 1 42 42 SER HA H 42 4.647 4.647 4.494 0.153 18415 8714 1 12 . 1 1 42 42 SER C C 42 174.502 174.502 174.180 0.322 18415 8715 1 12 . 1 1 42 42 SER CA C 42 59.768 59.768 59.019 0.750 18415 8716 1 12 . 1 1 42 42 SER CB C 42 64.720 64.720 65.625 -0.905 18415 8717 1 12 . 1 1 42 42 SER H H 42 9.230 9.230 9.350 -0.120 18415 8718 1 12 . 1 1 43 43 THR N N 43 108.516 108.516 112.117 -3.601 18415 8719 1 12 . 1 1 43 43 THR HA H 43 4.807 4.807 4.872 -0.065 18415 8720 1 12 . 1 1 43 43 THR C C 43 173.812 173.812 175.164 -1.352 18415 8721 1 12 . 1 1 43 43 THR CA C 43 59.249 59.249 59.731 -0.482 18415 8722 1 12 . 1 1 43 43 THR CB C 43 73.128 73.128 72.266 0.862 18415 8723 1 12 . 1 1 43 43 THR H H 43 7.559 7.559 7.899 -0.340 18415 8724 1 12 . 1 1 44 44 GLU N N 44 123.057 123.057 123.997 -0.940 18415 8725 1 12 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.189 -0.740 18415 8726 1 12 . 1 1 44 44 GLU C C 44 178.262 178.262 178.083 0.179 18415 8727 1 12 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.806 -0.478 18415 8728 1 12 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.627 0.815 18415 8729 1 12 . 1 1 44 44 GLU H H 44 9.377 9.377 9.179 0.198 18415 8730 1 12 . 1 1 45 45 ALA N N 45 119.910 119.910 122.330 -2.420 18415 8731 1 12 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.304 -0.254 18415 8732 1 12 . 1 1 45 45 ALA C C 45 180.096 180.096 179.686 0.410 18415 8733 1 12 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.092 0.088 18415 8734 1 12 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.017 0.250 18415 8735 1 12 . 1 1 45 45 ALA H H 45 8.328 8.328 8.531 -0.203 18415 8736 1 12 . 1 1 46 46 GLU N N 46 118.861 118.861 119.040 -0.179 18415 8737 1 12 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.669 -0.057 18415 8738 1 12 . 1 1 46 46 GLU C C 46 177.452 177.452 178.540 -1.088 18415 8739 1 12 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.348 -0.064 18415 8740 1 12 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.462 1.051 18415 8741 1 12 . 1 1 46 46 GLU H H 46 7.852 7.852 7.749 0.103 18415 8742 1 12 . 1 1 47 47 GLN N N 47 119.473 119.473 119.018 0.455 18415 8743 1 12 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.839 -0.152 18415 8744 1 12 . 1 1 47 47 GLN C C 47 176.429 176.429 178.085 -1.656 18415 8745 1 12 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.553 1.355 18415 8746 1 12 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.062 1.913 18415 8747 1 12 . 1 1 47 47 GLN H H 47 7.054 7.054 7.763 -0.709 18415 8748 1 12 . 1 1 48 48 ASN N N 48 115.182 115.182 117.504 -2.322 18415 8749 1 12 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.202 0.011 18415 8750 1 12 . 1 1 48 48 ASN C C 48 176.986 176.986 177.426 -0.440 18415 8751 1 12 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.713 -0.684 18415 8752 1 12 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.305 -0.747 18415 8753 1 12 . 1 1 48 48 ASN H H 48 8.416 8.416 8.341 0.075 18415 8754 1 12 . 1 1 49 49 PHE N N 49 118.413 118.413 115.945 2.468 18415 8755 1 12 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.213 -0.234 18415 8756 1 12 . 1 1 49 49 PHE C C 49 177.254 177.254 176.557 0.697 18415 8757 1 12 . 1 1 49 49 PHE CA C 49 60.162 60.162 59.987 0.175 18415 8758 1 12 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.213 -1.130 18415 8759 1 12 . 1 1 49 49 PHE H H 49 7.473 7.473 8.071 -0.598 18415 8760 1 12 . 1 1 50 50 ILE N N 50 117.601 117.601 120.530 -2.929 18415 8761 1 12 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.976 -0.435 18415 8762 1 12 . 1 1 50 50 ILE C C 50 176.891 176.891 176.617 0.274 18415 8763 1 12 . 1 1 50 50 ILE CA C 50 59.652 59.652 61.649 -1.997 18415 8764 1 12 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.707 0.502 18415 8765 1 12 . 1 1 50 50 ILE H H 50 7.020 7.020 7.412 -0.392 18415 8766 1 12 . 1 1 51 51 ILE N N 51 114.824 114.824 116.295 -1.471 18415 8767 1 12 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.970 -0.077 18415 8768 1 12 . 1 1 51 51 ILE C C 51 177.092 177.092 175.953 1.139 18415 8769 1 12 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.226 0.978 18415 8770 1 12 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.501 0.419 18415 8771 1 12 . 1 1 51 51 ILE H H 51 7.216 7.216 7.171 0.045 18415 8772 1 12 . 1 1 52 52 GLN N N 52 116.767 116.767 117.208 -0.441 18415 8773 1 12 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.939 -0.169 18415 8774 1 12 . 1 1 52 52 GLN C C 52 176.442 176.442 176.699 -0.257 18415 8775 1 12 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.404 -0.134 18415 8776 1 12 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.466 0.554 18415 8777 1 12 . 1 1 52 52 GLN H H 52 6.416 6.416 7.209 -0.793 18415 8778 1 12 . 1 1 53 53 PHE N N 53 115.400 115.400 118.774 -3.374 18415 8779 1 12 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.397 0.180 18415 8780 1 12 . 1 1 53 53 PHE C C 53 174.993 174.993 176.032 -1.039 18415 8781 1 12 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.239 -2.345 18415 8782 1 12 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.790 -0.257 18415 8783 1 12 . 1 1 53 53 PHE H H 53 7.216 7.216 7.210 0.006 18415 8784 1 12 . 1 1 54 54 LEU N N 54 118.096 118.096 119.406 -1.310 18415 8785 1 12 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.976 0.115 18415 8786 1 12 . 1 1 54 54 LEU C C 54 175.467 175.467 176.259 -0.792 18415 8787 1 12 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.489 -0.918 18415 8788 1 12 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.580 0.128 18415 8789 1 12 . 1 1 54 54 LEU H H 54 6.668 6.668 7.418 -0.750 18415 8790 1 12 . 1 1 55 55 ASP N N 55 123.723 123.723 122.162 1.561 18415 8791 1 12 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.838 -0.023 18415 8792 1 12 . 1 1 55 55 ASP C C 55 177.896 177.896 177.206 0.690 18415 8793 1 12 . 1 1 55 55 ASP CA C 55 53.098 53.098 53.850 -0.752 18415 8794 1 12 . 1 1 55 55 ASP CB C 55 42.662 42.662 43.113 -0.451 18415 8795 1 12 . 1 1 55 55 ASP H H 55 8.687 8.687 8.619 0.068 18415 8796 1 12 . 1 1 56 56 ARG N N 56 124.370 124.370 124.692 -0.322 18415 8797 1 12 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.000 0.310 18415 8798 1 12 . 1 1 56 56 ARG C C 56 178.201 178.201 176.390 1.811 18415 8799 1 12 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.849 2.109 18415 8800 1 12 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.989 1.589 18415 8801 1 12 . 1 1 56 56 ARG H H 56 8.758 8.758 8.745 0.013 18415 8802 1 12 . 1 1 57 57 ARG N N 57 120.411 120.411 117.727 2.684 18415 8803 1 12 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.290 0.004 18415 8804 1 12 . 1 1 57 57 ARG C C 57 177.064 177.064 175.954 1.110 18415 8805 1 12 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.743 0.789 18415 8806 1 12 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.785 -1.093 18415 8807 1 12 . 1 1 57 57 ARG H H 57 9.150 9.150 8.020 1.130 18415 8808 1 12 . 1 1 58 58 LEU N N 58 119.445 119.445 119.335 0.110 18415 8809 1 12 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.586 0.118 18415 8810 1 12 . 1 1 58 58 LEU C C 58 176.450 176.450 175.006 1.444 18415 8811 1 12 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.416 0.863 18415 8812 1 12 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.831 -0.574 18415 8813 1 12 . 1 1 58 58 LEU H H 58 8.328 8.328 7.684 0.644 18415 8814 1 12 . 1 1 59 59 SER N N 59 116.536 116.536 113.659 2.877 18415 8815 1 12 . 1 1 59 59 SER HA H 59 5.505 5.505 5.200 0.305 18415 8816 1 12 . 1 1 59 59 SER C C 59 173.263 173.263 173.093 0.170 18415 8817 1 12 . 1 1 59 59 SER CA C 59 57.199 57.199 57.019 0.180 18415 8818 1 12 . 1 1 59 59 SER CB C 59 65.064 65.064 65.190 -0.126 18415 8819 1 12 . 1 1 59 59 SER H H 59 8.470 8.470 8.466 0.003 18415 8820 1 12 . 1 1 60 60 TYR N N 60 120.274 120.274 123.290 -3.016 18415 8821 1 12 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.971 -0.694 18415 8822 1 12 . 1 1 60 60 TYR C C 60 175.560 175.560 175.675 -0.115 18415 8823 1 12 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.720 -0.248 18415 8824 1 12 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.481 2.026 18415 8825 1 12 . 1 1 60 60 TYR H H 60 8.897 8.897 9.388 -0.491 18415 8826 1 12 . 1 1 61 61 PHE N N 61 123.635 123.635 122.730 0.905 18415 8827 1 12 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.599 0.689 18415 8828 1 12 . 1 1 61 61 PHE C C 61 175.433 175.433 175.095 0.338 18415 8829 1 12 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.708 0.367 18415 8830 1 12 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.825 1.044 18415 8831 1 12 . 1 1 61 61 PHE H H 61 9.521 9.521 9.359 0.162 18415 8832 1 12 . 1 1 62 62 LEU N N 62 114.382 114.382 120.983 -6.601 18415 8833 1 12 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.857 0.216 18415 8834 1 12 . 1 1 62 62 LEU C C 62 179.521 179.521 178.026 1.495 18415 8835 1 12 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.573 -1.790 18415 8836 1 12 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.932 1.344 18415 8837 1 12 . 1 1 62 62 LEU H H 62 8.394 8.394 8.252 0.142 18415 8838 1 12 . 1 1 63 63 GLY N N 63 106.675 106.675 110.798 -4.123 18415 8839 1 12 . 1 1 63 63 GLY C C 63 172.404 172.404 173.032 -0.628 18415 8840 1 12 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.805 2.588 18415 8841 1 12 . 1 1 63 63 GLY H H 63 9.253 9.253 9.545 -0.292 18415 8842 1 12 . 1 1 64 64 LEU N N 64 124.754 124.754 122.655 2.099 18415 8843 1 12 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.224 0.360 18415 8844 1 12 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.570 0.732 18415 8845 1 12 . 1 1 64 64 LEU CB C 64 43.272 43.272 43.014 0.258 18415 8846 1 12 . 1 1 64 64 LEU H H 64 6.840 6.840 8.017 -1.177 18415 8847 1 12 . 1 1 65 65 ARG N N 65 124.476 124.476 127.574 -3.098 18415 8848 1 12 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.310 0.850 18415 8849 1 12 . 1 1 65 65 ARG C C 65 174.245 174.245 174.202 0.043 18415 8850 1 12 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.362 0.542 18415 8851 1 12 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.928 1.603 18415 8852 1 12 . 1 1 65 65 ARG H H 65 8.218 8.218 8.828 -0.610 18415 8853 1 12 . 1 1 66 66 ASP N N 66 126.754 126.754 125.501 1.253 18415 8854 1 12 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.479 -0.050 18415 8855 1 12 . 1 1 66 66 ASP C C 66 176.516 176.516 175.041 1.475 18415 8856 1 12 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.725 -0.871 18415 8857 1 12 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.357 -3.589 18415 8858 1 12 . 1 1 66 66 ASP H H 66 8.756 8.756 8.022 0.734 18415 8859 1 12 . 1 1 67 67 GLU N N 67 123.390 123.390 124.276 -0.886 18415 8860 1 12 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.329 -0.553 18415 8861 1 12 . 1 1 67 67 GLU C C 67 175.648 175.648 175.238 0.410 18415 8862 1 12 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.766 3.082 18415 8863 1 12 . 1 1 67 67 GLU CB C 67 30.316 30.316 31.143 -0.827 18415 8864 1 12 . 1 1 67 67 GLU H H 67 8.488 8.488 8.508 -0.020 18415 8865 1 12 . 1 1 68 68 ASN N N 68 114.882 114.882 122.268 -7.386 18415 8866 1 12 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.275 0.389 18415 8867 1 12 . 1 1 68 68 ASN C C 68 174.482 174.482 173.797 0.685 18415 8868 1 12 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.158 -1.244 18415 8869 1 12 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.858 1.554 18415 8870 1 12 . 1 1 68 68 ASN H H 68 8.336 8.336 9.032 -0.696 18415 8871 1 12 . 1 1 69 69 ALA N N 69 118.915 118.915 116.745 2.170 18415 8872 1 12 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.025 -0.151 18415 8873 1 12 . 1 1 69 69 ALA C C 69 177.082 177.082 177.047 0.035 18415 8874 1 12 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.376 0.256 18415 8875 1 12 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.258 -0.087 18415 8876 1 12 . 1 1 69 69 ALA H H 69 7.444 7.444 8.806 -1.362 18415 8877 1 12 . 1 1 70 70 LYS N N 70 117.439 117.439 120.685 -3.246 18415 8878 1 12 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.227 0.091 18415 8879 1 12 . 1 1 70 70 LYS C C 70 177.726 177.726 178.082 -0.356 18415 8880 1 12 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.319 -0.896 18415 8881 1 12 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.099 -0.363 18415 8882 1 12 . 1 1 70 70 LYS H H 70 7.925 7.925 8.628 -0.703 18415 8883 1 12 . 1 1 71 71 GLY C C 71 175.127 175.127 173.800 1.327 18415 8884 1 12 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.637 0.037 18415 8885 1 12 . 1 1 72 72 GLN N N 72 124.084 124.084 119.985 4.099 18415 8886 1 12 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.192 0.199 18415 8887 1 12 . 1 1 72 72 GLN C C 72 174.283 174.283 175.419 -1.136 18415 8888 1 12 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.413 -0.256 18415 8889 1 12 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.353 0.280 18415 8890 1 12 . 1 1 72 72 GLN H H 72 7.749 7.749 7.812 -0.063 18415 8891 1 12 . 1 1 73 73 TRP N N 73 121.803 121.803 127.364 -5.561 18415 8892 1 12 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.242 -0.338 18415 8893 1 12 . 1 1 73 73 TRP C C 73 175.776 175.776 175.759 0.017 18415 8894 1 12 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.766 -0.945 18415 8895 1 12 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.560 0.316 18415 8896 1 12 . 1 1 73 73 TRP H H 73 6.599 6.599 7.794 -1.195 18415 8897 1 12 . 1 1 74 74 ARG N N 74 119.549 119.549 119.508 0.041 18415 8898 1 12 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.901 -0.195 18415 8899 1 12 . 1 1 74 74 ARG C C 74 176.980 176.980 175.705 1.275 18415 8900 1 12 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.175 0.158 18415 8901 1 12 . 1 1 74 74 ARG CB C 74 34.623 34.623 32.997 1.626 18415 8902 1 12 . 1 1 74 74 ARG H H 74 8.443 8.443 7.742 0.701 18415 8903 1 12 . 1 1 75 75 TRP N N 75 125.690 125.690 123.786 1.904 18415 8904 1 12 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.224 0.203 18415 8905 1 12 . 1 1 75 75 TRP C C 75 180.474 180.474 178.373 2.101 18415 8906 1 12 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.690 -1.924 18415 8907 1 12 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.309 0.721 18415 8908 1 12 . 1 1 75 75 TRP H H 75 9.052 9.052 8.789 0.263 18415 8909 1 12 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.094 0.184 18415 8910 1 12 . 1 1 76 76 VAL C C 76 175.431 175.431 175.725 -0.294 18415 8911 1 12 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.324 0.240 18415 8912 1 12 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.060 0.309 18415 8913 1 12 . 1 1 77 77 ASP N N 77 119.941 119.941 118.132 1.809 18415 8914 1 12 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.762 -0.784 18415 8915 1 12 . 1 1 77 77 ASP C C 77 176.293 176.293 176.492 -0.199 18415 8916 1 12 . 1 1 77 77 ASP CA C 77 52.759 52.759 52.962 -0.203 18415 8917 1 12 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.456 -0.046 18415 8918 1 12 . 1 1 77 77 ASP H H 77 8.004 8.004 8.472 -0.468 18415 8919 1 12 . 1 1 78 78 GLN N N 78 109.962 109.962 115.441 -5.479 18415 8920 1 12 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.050 0.075 18415 8921 1 12 . 1 1 78 78 GLN C C 78 176.387 176.387 175.386 1.001 18415 8922 1 12 . 1 1 78 78 GLN CA C 78 57.792 57.792 57.548 0.243 18415 8923 1 12 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.352 -1.251 18415 8924 1 12 . 1 1 78 78 GLN H H 78 8.124 8.124 8.342 -0.218 18415 8925 1 12 . 1 1 79 79 THR N N 79 121.656 121.656 119.746 1.910 18415 8926 1 12 . 1 1 79 79 THR HA H 79 4.250 4.250 4.512 -0.262 18415 8927 1 12 . 1 1 79 79 THR C C 79 172.901 172.901 172.917 -0.016 18415 8928 1 12 . 1 1 79 79 THR CA C 79 63.165 63.165 63.614 -0.449 18415 8929 1 12 . 1 1 79 79 THR CB C 79 69.427 69.427 69.011 0.416 18415 8930 1 12 . 1 1 79 79 THR H H 79 8.172 8.172 8.312 -0.140 18415 8931 1 12 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.517 0.005 18415 8932 1 12 . 1 1 80 80 PRO C C 80 176.940 176.940 176.594 0.346 18415 8933 1 12 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.975 0.713 18415 8934 1 12 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.453 -0.266 18415 8935 1 12 . 1 1 81 81 PHE N N 81 125.403 125.403 124.204 1.199 18415 8936 1 12 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.684 0.225 18415 8937 1 12 . 1 1 81 81 PHE C C 81 174.853 174.853 175.408 -0.555 18415 8938 1 12 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.910 -0.557 18415 8939 1 12 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.956 0.063 18415 8940 1 12 . 1 1 81 81 PHE H H 81 9.015 9.015 8.661 0.354 18415 8941 1 12 . 1 1 82 82 ASN N N 82 129.264 129.264 126.965 2.299 18415 8942 1 12 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.842 0.213 18415 8943 1 12 . 1 1 82 82 ASN C C 82 173.643 173.643 173.675 -0.032 18415 8944 1 12 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.652 -1.849 18415 8945 1 12 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.071 0.424 18415 8946 1 12 . 1 1 82 82 ASN H H 82 8.985 8.985 8.280 0.705 18415 8947 1 12 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.148 -0.145 18415 8948 1 12 . 1 1 83 83 PRO C C 83 177.123 177.123 177.514 -0.391 18415 8949 1 12 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.752 -0.967 18415 8950 1 12 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.929 0.585 18415 8951 1 12 . 1 1 84 84 ARG N N 84 114.801 114.801 115.795 -0.994 18415 8952 1 12 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.267 0.056 18415 8953 1 12 . 1 1 84 84 ARG C C 84 176.890 176.890 176.232 0.658 18415 8954 1 12 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.319 -0.316 18415 8955 1 12 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.081 0.077 18415 8956 1 12 . 1 1 84 84 ARG H H 84 7.697 7.697 8.205 -0.508 18415 8957 1 12 . 1 1 85 85 ARG N N 85 123.958 123.958 118.966 4.992 18415 8958 1 12 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.867 0.438 18415 8959 1 12 . 1 1 85 85 ARG C C 85 173.017 173.017 173.840 -0.823 18415 8960 1 12 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.833 -1.024 18415 8961 1 12 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.951 -0.910 18415 8962 1 12 . 1 1 85 85 ARG H H 85 7.596 7.596 7.320 0.276 18415 8963 1 12 . 1 1 86 86 VAL N N 86 110.039 110.039 121.698 -11.659 18415 8964 1 12 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.676 0.123 18415 8965 1 12 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.071 -2.805 18415 8966 1 12 . 1 1 86 86 VAL CB C 86 34.226 34.226 31.934 2.292 18415 8967 1 12 . 1 1 86 86 VAL H H 86 6.570 6.570 7.376 -0.806 18415 8968 1 12 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.249 0.073 18415 8969 1 12 . 1 1 87 87 PHE C C 87 173.471 173.471 174.556 -1.085 18415 8970 1 12 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.753 -0.376 18415 8971 1 12 . 1 1 87 87 PHE CB C 87 37.384 37.384 36.010 1.374 18415 8972 1 12 . 1 1 88 88 TRP N N 88 118.538 118.538 122.906 -4.368 18415 8973 1 12 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.548 0.254 18415 8974 1 12 . 1 1 88 88 TRP C C 88 179.297 179.297 177.622 1.675 18415 8975 1 12 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.680 -0.443 18415 8976 1 12 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.169 1.381 18415 8977 1 12 . 1 1 88 88 TRP H H 88 6.633 6.633 7.771 -1.138 18415 8978 1 12 . 1 1 89 89 HIS N N 89 122.693 122.693 121.238 1.455 18415 8979 1 12 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.392 -0.021 18415 8980 1 12 . 1 1 89 89 HIS C C 89 175.621 175.621 175.484 0.137 18415 8981 1 12 . 1 1 89 89 HIS CA C 89 58.121 58.121 59.064 -0.943 18415 8982 1 12 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.664 2.048 18415 8983 1 12 . 1 1 89 89 HIS H H 89 9.473 9.473 9.132 0.341 18415 8984 1 12 . 1 1 90 90 LYS N N 90 120.826 120.826 115.650 5.176 18415 8985 1 12 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.269 -0.158 18415 8986 1 12 . 1 1 90 90 LYS C C 90 177.228 177.228 174.697 2.531 18415 8987 1 12 . 1 1 90 90 LYS CA C 90 58.242 58.242 56.925 1.317 18415 8988 1 12 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.606 -0.124 18415 8989 1 12 . 1 1 90 90 LYS H H 90 8.741 8.741 8.211 0.530 18415 8990 1 12 . 1 1 91 91 ASN N N 91 117.166 117.166 117.746 -0.580 18415 8991 1 12 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.762 -0.446 18415 8992 1 12 . 1 1 91 91 ASN C C 91 173.391 173.391 174.432 -1.041 18415 8993 1 12 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.326 2.009 18415 8994 1 12 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.934 -2.549 18415 8995 1 12 . 1 1 91 91 ASN H H 91 8.906 8.906 8.564 0.342 18415 8996 1 12 . 1 1 92 92 GLU N N 92 116.991 116.991 121.623 -4.632 18415 8997 1 12 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.474 -0.187 18415 8998 1 12 . 1 1 92 92 GLU C C 92 173.188 173.188 174.987 -1.799 18415 8999 1 12 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.547 -1.276 18415 9000 1 12 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.643 0.811 18415 9001 1 12 . 1 1 92 92 GLU H H 92 7.738 7.738 8.247 -0.509 18415 9002 1 12 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.841 -0.197 18415 9003 1 12 . 1 1 95 95 ASN C C 95 175.699 175.699 175.715 -0.016 18415 9004 1 12 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.304 0.155 18415 9005 1 12 . 1 1 95 95 ASN CB C 95 38.725 38.725 40.013 -1.288 18415 9006 1 12 . 1 1 96 96 SER N N 96 116.489 116.489 114.736 1.753 18415 9007 1 12 . 1 1 96 96 SER HA H 96 4.405 4.405 4.613 -0.208 18415 9008 1 12 . 1 1 96 96 SER C C 96 174.831 174.831 173.869 0.962 18415 9009 1 12 . 1 1 96 96 SER CA C 96 58.753 58.753 57.897 0.856 18415 9010 1 12 . 1 1 96 96 SER CB C 96 64.216 64.216 64.122 0.094 18415 9011 1 12 . 1 1 96 96 SER H H 96 8.118 8.118 7.843 0.275 18415 9012 1 12 . 1 1 97 97 GLN N N 97 121.023 121.023 121.148 -0.125 18415 9013 1 12 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.394 -0.142 18415 9014 1 12 . 1 1 97 97 GLN C C 97 176.063 176.063 175.399 0.664 18415 9015 1 12 . 1 1 97 97 GLN CA C 97 55.957 55.957 54.403 1.554 18415 9016 1 12 . 1 1 97 97 GLN CB C 97 29.528 29.528 30.109 -0.581 18415 9017 1 12 . 1 1 97 97 GLN H H 97 8.371 8.371 8.235 0.136 18415 9018 1 12 . 1 1 98 98 GLY N N 98 110.498 110.498 108.263 2.235 18415 9019 1 12 . 1 1 98 98 GLY C C 98 172.460 172.460 174.810 -2.350 18415 9020 1 12 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.591 -0.655 18415 9021 1 12 . 1 1 98 98 GLY H H 98 8.080 8.080 8.189 -0.109 18415 9022 1 12 . 1 1 99 99 GLU N N 99 119.919 119.919 121.680 -1.761 18415 9023 1 12 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.956 0.315 18415 9024 1 12 . 1 1 99 99 GLU C C 99 176.605 176.605 174.834 1.771 18415 9025 1 12 . 1 1 99 99 GLU CA C 99 56.508 56.508 57.037 -0.529 18415 9026 1 12 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.938 1.531 18415 9027 1 12 . 1 1 99 99 GLU H H 99 8.004 8.004 9.095 -1.091 18415 9028 1 12 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.944 0.336 18415 9029 1 12 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.581 1.800 18415 9030 1 12 . 1 1 100 100 ASN CB C 100 41.917 41.917 41.528 0.389 18415 9031 1 12 . 1 1 101 101 CYS N N 101 121.118 121.118 117.612 3.506 18415 9032 1 12 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.148 0.342 18415 9033 1 12 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.204 1.134 18415 9034 1 12 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.401 13.377 18415 9035 1 12 . 1 1 101 101 CYS H H 101 9.707 9.707 8.346 1.361 18415 9036 1 12 . 1 1 102 102 VAL HA H 102 5.186 5.186 4.882 0.304 18415 9037 1 12 . 1 1 102 102 VAL C C 102 175.530 175.530 174.563 0.967 18415 9038 1 12 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.616 1.417 18415 9039 1 12 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.401 2.753 18415 9040 1 12 . 1 1 103 103 VAL N N 103 115.890 115.890 118.654 -2.764 18415 9041 1 12 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.828 0.520 18415 9042 1 12 . 1 1 103 103 VAL C C 103 175.136 175.136 174.307 0.829 18415 9043 1 12 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.299 -1.562 18415 9044 1 12 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.297 -0.163 18415 9045 1 12 . 1 1 103 103 VAL H H 103 8.698 8.698 8.789 -0.091 18415 9046 1 12 . 1 1 104 104 LEU N N 104 124.477 124.477 125.581 -1.104 18415 9047 1 12 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.062 -0.086 18415 9048 1 12 . 1 1 104 104 LEU C C 104 176.248 176.248 175.978 0.270 18415 9049 1 12 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.883 0.110 18415 9050 1 12 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.171 2.671 18415 9051 1 12 . 1 1 104 104 LEU H H 104 9.453 9.453 9.114 0.339 18415 9052 1 12 . 1 1 105 105 VAL N N 105 123.109 123.109 125.247 -2.138 18415 9053 1 12 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.805 0.210 18415 9054 1 12 . 1 1 105 105 VAL C C 105 173.635 173.635 173.701 -0.066 18415 9055 1 12 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.276 1.957 18415 9056 1 12 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.935 0.699 18415 9057 1 12 . 1 1 105 105 VAL H H 105 9.477 9.477 8.752 0.725 18415 9058 1 12 . 1 1 106 106 TYR N N 106 136.491 136.491 129.316 7.175 18415 9059 1 12 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.248 0.217 18415 9060 1 12 . 1 1 106 106 TYR C C 106 175.009 175.009 173.728 1.281 18415 9061 1 12 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.017 -0.968 18415 9062 1 12 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.333 0.618 18415 9063 1 12 . 1 1 106 106 TYR H H 106 9.509 9.509 8.041 1.468 18415 9064 1 12 . 1 1 107 107 ASN N N 107 124.433 124.433 124.407 0.026 18415 9065 1 12 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.870 -0.320 18415 9066 1 12 . 1 1 107 107 ASN C C 107 173.919 173.919 174.348 -0.429 18415 9067 1 12 . 1 1 107 107 ASN CA C 107 52.609 52.609 51.827 0.782 18415 9068 1 12 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.641 -0.631 18415 9069 1 12 . 1 1 107 107 ASN H H 107 8.329 8.329 8.544 -0.215 18415 9070 1 12 . 1 1 108 108 GLN N N 108 119.681 119.681 122.647 -2.966 18415 9071 1 12 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.912 -0.258 18415 9072 1 12 . 1 1 108 108 GLN C C 108 175.060 175.060 174.752 0.308 18415 9073 1 12 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.529 1.077 18415 9074 1 12 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.033 -0.769 18415 9075 1 12 . 1 1 108 108 GLN H H 108 8.558 8.558 8.846 -0.288 18415 9076 1 12 . 1 1 109 109 ASP N N 109 109.712 109.712 110.738 -1.026 18415 9077 1 12 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.861 0.116 18415 9078 1 12 . 1 1 109 109 ASP C C 109 174.354 174.354 174.473 -0.119 18415 9079 1 12 . 1 1 109 109 ASP CA C 109 55.199 55.199 54.873 0.326 18415 9080 1 12 . 1 1 109 109 ASP CB C 109 40.026 40.026 39.506 0.520 18415 9081 1 12 . 1 1 109 109 ASP H H 109 8.199 8.199 8.520 -0.321 18415 9082 1 12 . 1 1 110 110 LYS N N 110 115.590 115.590 113.983 1.607 18415 9083 1 12 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.393 0.159 18415 9084 1 12 . 1 1 110 110 LYS C C 110 174.674 174.674 174.811 -0.137 18415 9085 1 12 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.146 1.323 18415 9086 1 12 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.153 0.436 18415 9087 1 12 . 1 1 110 110 LYS H H 110 7.081 7.081 6.893 0.188 18415 9088 1 12 . 1 1 111 111 TRP N N 111 122.248 122.248 123.476 -1.228 18415 9089 1 12 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.000 0.073 18415 9090 1 12 . 1 1 111 111 TRP C C 111 175.920 175.920 176.625 -0.705 18415 9091 1 12 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.232 -1.043 18415 9092 1 12 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.997 0.872 18415 9093 1 12 . 1 1 111 111 TRP H H 111 8.650 8.650 8.577 0.073 18415 9094 1 12 . 1 1 112 112 ALA N N 112 124.184 124.184 124.657 -0.473 18415 9095 1 12 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.583 -0.415 18415 9096 1 12 . 1 1 112 112 ALA C C 112 174.995 174.995 175.412 -0.417 18415 9097 1 12 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.974 0.341 18415 9098 1 12 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.875 -4.993 18415 9099 1 12 . 1 1 112 112 ALA H H 112 8.790 8.790 9.009 -0.219 18415 9100 1 12 . 1 1 113 113 TRP N N 113 118.725 118.725 119.630 -0.905 18415 9101 1 12 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.584 0.572 18415 9102 1 12 . 1 1 113 113 TRP C C 113 177.471 177.471 176.396 1.075 18415 9103 1 12 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.110 0.505 18415 9104 1 12 . 1 1 113 113 TRP CB C 113 32.374 32.374 28.916 3.458 18415 9105 1 12 . 1 1 113 113 TRP H H 113 8.969 8.969 8.083 0.886 18415 9106 1 12 . 1 1 114 114 ASN N N 114 120.479 120.479 121.635 -1.156 18415 9107 1 12 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.078 0.412 18415 9108 1 12 . 1 1 114 114 ASN C C 114 174.708 174.708 173.913 0.795 18415 9109 1 12 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.644 -0.886 18415 9110 1 12 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.827 0.191 18415 9111 1 12 . 1 1 114 114 ASN H H 114 9.518 9.518 8.701 0.817 18415 9112 1 12 . 1 1 115 115 ASP N N 115 118.209 118.209 124.617 -6.408 18415 9113 1 12 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.817 1.054 18415 9114 1 12 . 1 1 115 115 ASP C C 115 174.291 174.291 174.504 -0.213 18415 9115 1 12 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.469 -2.282 18415 9116 1 12 . 1 1 115 115 ASP CB C 115 40.504 40.504 42.039 -1.535 18415 9117 1 12 . 1 1 115 115 ASP H H 115 8.563 8.563 8.954 -0.391 18415 9118 1 12 . 1 1 116 116 VAL N N 116 118.669 118.669 124.816 -6.147 18415 9119 1 12 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.508 0.387 18415 9120 1 12 . 1 1 116 116 VAL C C 116 172.334 172.334 173.730 -1.396 18415 9121 1 12 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.078 0.203 18415 9122 1 12 . 1 1 116 116 VAL CB C 116 34.333 34.333 35.132 -0.799 18415 9123 1 12 . 1 1 116 116 VAL H H 116 9.369 9.369 8.955 0.414 18415 9124 1 12 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.421 0.513 18415 9125 1 12 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.326 -0.250 18415 9126 1 12 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.511 0.848 18415 9127 1 12 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.494 -0.044 18415 9128 1 12 . 1 1 118 118 CYS C C 118 175.583 175.583 175.587 -0.004 18415 9129 1 12 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.858 -1.954 18415 9130 1 12 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.326 17.515 18415 9131 1 12 . 1 1 119 119 ASN N N 119 117.251 117.251 116.150 1.101 18415 9132 1 12 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.729 0.184 18415 9133 1 12 . 1 1 119 119 ASN C C 119 174.849 174.849 174.225 0.624 18415 9134 1 12 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.442 -0.300 18415 9135 1 12 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.888 -1.812 18415 9136 1 12 . 1 1 119 119 ASN H H 119 8.411 8.411 8.352 0.059 18415 9137 1 12 . 1 1 120 120 PHE N N 120 123.415 123.415 122.379 1.036 18415 9138 1 12 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.613 -0.067 18415 9139 1 12 . 1 1 120 120 PHE C C 120 173.156 173.156 174.515 -1.359 18415 9140 1 12 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.361 0.999 18415 9141 1 12 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.919 -0.470 18415 9142 1 12 . 1 1 120 120 PHE H H 120 8.097 8.097 8.117 -0.020 18415 9143 1 12 . 1 1 121 121 GLU N N 121 119.143 119.143 126.490 -7.347 18415 9144 1 12 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.274 0.279 18415 9145 1 12 . 1 1 121 121 GLU C C 121 174.732 174.732 174.558 0.174 18415 9146 1 12 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.720 -2.132 18415 9147 1 12 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.268 1.152 18415 9148 1 12 . 1 1 121 121 GLU H H 121 7.012 7.012 8.386 -1.374 18415 9149 1 12 . 1 1 122 122 ALA N N 122 125.793 125.793 127.994 -2.201 18415 9150 1 12 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.542 -0.071 18415 9151 1 12 . 1 1 122 122 ALA C C 122 177.616 177.616 175.532 2.084 18415 9152 1 12 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.656 0.587 18415 9153 1 12 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.367 -1.765 18415 9154 1 12 . 1 1 122 122 ALA H H 122 8.441 8.441 9.046 -0.605 18415 9155 1 12 . 1 1 123 123 SER N N 123 115.420 115.420 114.435 0.985 18415 9156 1 12 . 1 1 123 123 SER HA H 123 4.522 4.522 5.431 -0.909 18415 9157 1 12 . 1 1 123 123 SER C C 123 172.514 172.514 174.801 -2.287 18415 9158 1 12 . 1 1 123 123 SER CA C 123 60.661 60.661 57.160 3.501 18415 9159 1 12 . 1 1 123 123 SER CB C 123 62.943 62.943 64.186 -1.243 18415 9160 1 12 . 1 1 123 123 SER H H 123 7.716 7.716 8.228 -0.512 18415 9161 1 12 . 1 1 124 124 ARG N N 124 112.529 112.529 116.102 -3.573 18415 9162 1 12 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.197 0.293 18415 9163 1 12 . 1 1 124 124 ARG C C 124 173.779 173.779 174.317 -0.538 18415 9164 1 12 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.160 0.779 18415 9165 1 12 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.056 -2.131 18415 9166 1 12 . 1 1 124 124 ARG H H 124 8.840 8.840 9.096 -0.256 18415 9167 1 12 . 1 1 125 125 ILE N N 125 116.525 116.525 118.911 -2.386 18415 9168 1 12 . 1 1 125 125 ILE HA H 125 4.718 4.718 5.091 -0.373 18415 9169 1 12 . 1 1 125 125 ILE C C 125 175.656 175.656 175.123 0.533 18415 9170 1 12 . 1 1 125 125 ILE CA C 125 60.836 60.836 58.380 2.456 18415 9171 1 12 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.258 1.300 18415 9172 1 12 . 1 1 125 125 ILE H H 125 6.989 6.989 8.038 -1.049 18415 9173 1 12 . 1 1 126 126 CYS N N 126 123.910 123.910 126.751 -2.841 18415 9174 1 12 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.162 0.408 18415 9175 1 12 . 1 1 126 126 CYS C C 126 173.662 173.662 173.632 0.030 18415 9176 1 12 . 1 1 126 126 CYS CA C 126 51.840 51.840 58.043 -6.203 18415 9177 1 12 . 1 1 126 126 CYS CB C 126 39.141 39.141 30.353 8.788 18415 9178 1 12 . 1 1 126 126 CYS H H 126 8.288 8.288 9.093 -0.805 18415 9179 1 12 . 1 1 127 127 LYS N N 127 124.170 124.170 125.161 -0.991 18415 9180 1 12 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.622 -0.003 18415 9181 1 12 . 1 1 127 127 LYS C C 127 174.637 174.637 174.580 0.057 18415 9182 1 12 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.811 0.424 18415 9183 1 12 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.045 2.473 18415 9184 1 12 . 1 1 127 127 LYS H H 127 9.681 9.681 9.447 0.234 18415 9185 1 12 . 1 1 128 128 ILE N N 128 129.226 129.226 124.916 4.310 18415 9186 1 12 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.654 0.246 18415 9187 1 12 . 1 1 128 128 ILE C C 128 172.463 172.463 172.582 -0.119 18415 9188 1 12 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.349 1.034 18415 9189 1 12 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.214 1.674 18415 9190 1 12 . 1 1 128 128 ILE H H 128 9.205 9.205 9.053 0.152 18415 9191 1 12 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.411 0.580 18415 9192 1 12 . 1 1 129 129 PRO C C 129 177.954 177.954 176.528 1.426 18415 9193 1 12 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.592 0.032 18415 9194 1 12 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.155 0.346 18415 9195 1 12 . 1 1 130 130 GLY N N 130 110.745 110.745 107.526 3.219 18415 9196 1 12 . 1 1 130 130 GLY C C 130 175.022 175.022 175.098 -0.076 18415 9197 1 12 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.408 0.848 18415 9198 1 12 . 1 1 130 130 GLY H H 130 8.673 8.673 8.062 0.611 18415 9199 1 12 . 1 1 131 131 THR N N 131 112.246 112.246 117.532 -5.286 18415 9200 1 12 . 1 1 131 131 THR HA H 131 4.427 4.427 4.343 0.084 18415 9201 1 12 . 1 1 131 131 THR C C 131 175.259 175.259 175.784 -0.525 18415 9202 1 12 . 1 1 131 131 THR CA C 131 61.500 61.500 62.601 -1.101 18415 9203 1 12 . 1 1 131 131 THR CB C 131 69.998 69.998 68.024 1.974 18415 9204 1 12 . 1 1 131 131 THR H H 131 7.870 7.870 7.921 -0.051 18415 9205 1 12 . 1 1 132 132 THR N N 132 116.455 116.455 116.907 -0.452 18415 9206 1 12 . 1 1 132 132 THR HA H 132 4.281 4.281 4.040 0.241 18415 9207 1 12 . 1 1 132 132 THR C C 132 174.867 174.867 175.366 -0.499 18415 9208 1 12 . 1 1 132 132 THR CA C 132 62.453 62.453 64.865 -2.412 18415 9209 1 12 . 1 1 132 132 THR CB C 132 69.868 69.868 68.360 1.508 18415 9210 1 12 . 1 1 132 132 THR H H 132 8.120 8.120 7.542 0.578 18415 9211 1 12 . 1 1 133 133 LEU N N 133 124.001 124.001 118.360 5.641 18415 9212 1 12 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.146 0.116 18415 9213 1 12 . 1 1 133 133 LEU C C 133 177.365 177.365 177.564 -0.199 18415 9214 1 12 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.101 -0.354 18415 9215 1 12 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.783 0.539 18415 9216 1 12 . 1 1 133 133 LEU H H 133 8.117 8.117 7.535 0.582 18415 9217 1 12 . 1 1 134 134 ASN N N 134 119.222 119.222 117.104 2.118 18415 9218 1 12 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.693 -0.072 18415 9219 1 12 . 1 1 134 134 ASN C C 134 175.725 175.725 176.033 -0.308 18415 9220 1 12 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.281 -1.656 18415 9221 1 12 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.286 -0.450 18415 9222 1 12 . 1 1 134 134 ASN H H 134 8.325 8.325 7.460 0.865 18415 9223 1 12 . 1 1 135 135 ALA N N 135 123.649 123.649 121.960 1.689 18415 9224 1 12 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.619 -0.490 18415 9225 1 12 . 1 1 135 135 ALA C C 135 179.061 179.061 177.488 1.573 18415 9226 1 12 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.735 2.197 18415 9227 1 12 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.310 0.629 18415 9228 1 12 . 1 1 135 135 ALA H H 135 8.205 8.205 8.054 0.151 18415 9229 1 12 . 1 1 136 136 GLU N N 136 119.187 119.187 119.834 -0.647 18415 9230 1 12 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.076 0.129 18415 9231 1 12 . 1 1 136 136 GLU C C 136 177.504 177.504 178.458 -0.954 18415 9232 1 12 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.345 -1.466 18415 9233 1 12 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.810 0.836 18415 9234 1 12 . 1 1 136 136 GLU H H 136 8.349 8.349 8.236 0.113 18415 9235 1 12 . 1 1 137 137 ASN N N 137 118.988 118.988 118.040 0.948 18415 9236 1 12 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.605 0.032 18415 9237 1 12 . 1 1 137 137 ASN C C 137 176.785 176.785 177.234 -0.449 18415 9238 1 12 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.186 -0.712 18415 9239 1 12 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.402 0.307 18415 9240 1 12 . 1 1 137 137 ASN H H 137 8.259 8.259 8.255 0.004 18415 9241 1 12 . 1 1 138 138 LEU N N 138 121.438 121.438 121.308 0.130 18415 9242 1 12 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.032 0.103 18415 9243 1 12 . 1 1 138 138 LEU C C 138 178.872 178.872 178.034 0.838 18415 9244 1 12 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.777 -0.850 18415 9245 1 12 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.139 -0.138 18415 9246 1 12 . 1 1 138 138 LEU H H 138 8.084 8.084 7.762 0.322 18415 9247 1 12 . 1 1 139 139 TYR N N 139 120.558 120.558 117.413 3.145 18415 9248 1 12 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.249 0.037 18415 9249 1 12 . 1 1 139 139 TYR C C 139 177.587 177.587 176.806 0.781 18415 9250 1 12 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.478 -0.334 18415 9251 1 12 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.863 -0.497 18415 9252 1 12 . 1 1 139 139 TYR H H 139 8.130 8.130 8.238 -0.108 18415 9253 1 12 . 1 1 140 140 PHE N N 140 120.508 120.508 118.662 1.846 18415 9254 1 12 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.110 0.245 18415 9255 1 12 . 1 1 140 140 PHE C C 140 177.425 177.425 176.821 0.604 18415 9256 1 12 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.151 -0.521 18415 9257 1 12 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.656 -0.404 18415 9258 1 12 . 1 1 140 140 PHE H H 140 8.275 8.275 7.795 0.480 18415 9259 1 12 . 1 1 141 141 GLN N N 141 119.274 119.274 118.136 1.138 18415 9260 1 12 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.310 -0.197 18415 9261 1 12 . 1 1 141 141 GLN C C 141 176.976 176.976 175.615 1.361 18415 9262 1 12 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.007 1.356 18415 9263 1 12 . 1 1 141 141 GLN CB C 141 29.028 29.028 28.630 0.398 18415 9264 1 12 . 1 1 141 141 GLN H H 141 8.250 8.250 7.820 0.430 18415 9265 1 13 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.067 -0.280 18415 9266 1 13 . 1 1 2 2 VAL C C 2 172.250 172.250 174.380 -2.130 18415 9267 1 13 . 1 1 2 2 VAL CA C 2 61.294 61.294 60.404 0.890 18415 9268 1 13 . 1 1 2 2 VAL CB C 2 33.708 33.708 34.900 -1.192 18415 9269 1 13 . 1 1 3 3 CYS N N 3 121.988 121.988 121.514 0.474 18415 9270 1 13 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.424 0.781 18415 9271 1 13 . 1 1 3 3 CYS C C 3 171.993 171.993 172.899 -0.906 18415 9272 1 13 . 1 1 3 3 CYS CA C 3 52.044 52.044 54.825 -2.781 18415 9273 1 13 . 1 1 3 3 CYS CB C 3 39.461 39.461 26.813 12.648 18415 9274 1 13 . 1 1 3 3 CYS H H 3 8.628 8.628 8.071 0.557 18415 9275 1 13 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.896 -0.073 18415 9276 1 13 . 1 1 5 5 ILE C C 5 176.622 176.622 175.771 0.851 18415 9277 1 13 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.929 0.371 18415 9278 1 13 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.928 0.116 18415 9279 1 13 . 1 1 6 6 ASP N N 6 117.894 117.894 118.495 -0.601 18415 9280 1 13 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.512 -0.168 18415 9281 1 13 . 1 1 6 6 ASP H H 6 8.606 8.606 7.958 0.648 18415 9282 1 13 . 1 1 7 7 TRP N N 7 120.564 120.564 121.495 -0.931 18415 9283 1 13 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.476 0.214 18415 9284 1 13 . 1 1 7 7 TRP C C 7 176.415 176.415 176.814 -0.399 18415 9285 1 13 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.590 0.447 18415 9286 1 13 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.292 -0.521 18415 9287 1 13 . 1 1 7 7 TRP H H 7 8.208 8.208 7.547 0.661 18415 9288 1 13 . 1 1 8 8 ARG N N 8 119.872 119.872 121.218 -1.346 18415 9289 1 13 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.421 0.265 18415 9290 1 13 . 1 1 8 8 ARG C C 8 176.146 176.146 175.043 1.103 18415 9291 1 13 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.425 -0.484 18415 9292 1 13 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.300 1.263 18415 9293 1 13 . 1 1 8 8 ARG H H 8 9.456 9.456 9.009 0.447 18415 9294 1 13 . 1 1 9 9 ALA N N 9 127.265 127.265 130.975 -3.710 18415 9295 1 13 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.121 0.270 18415 9296 1 13 . 1 1 9 9 ALA C C 9 176.927 176.927 176.134 0.793 18415 9297 1 13 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.264 0.746 18415 9298 1 13 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.847 2.816 18415 9299 1 13 . 1 1 9 9 ALA H H 9 8.819 8.819 8.464 0.355 18415 9300 1 13 . 1 1 10 10 PHE N N 10 120.450 120.450 126.259 -5.809 18415 9301 1 13 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.842 -0.648 18415 9302 1 13 . 1 1 10 10 PHE C C 10 174.606 174.606 174.955 -0.349 18415 9303 1 13 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.956 0.570 18415 9304 1 13 . 1 1 10 10 PHE CB C 10 40.861 40.861 42.979 -2.118 18415 9305 1 13 . 1 1 10 10 PHE H H 10 8.202 8.202 9.130 -0.928 18415 9306 1 13 . 1 1 11 11 GLN N N 11 126.391 126.391 124.030 2.361 18415 9307 1 13 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.491 -0.030 18415 9308 1 13 . 1 1 11 11 GLN C C 11 175.859 175.859 175.372 0.487 18415 9309 1 13 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.883 -0.631 18415 9310 1 13 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.648 -1.686 18415 9311 1 13 . 1 1 11 11 GLN H H 11 8.872 8.872 8.451 0.421 18415 9312 1 13 . 1 1 12 12 SER N N 12 113.087 113.087 113.438 -0.351 18415 9313 1 13 . 1 1 12 12 SER HA H 12 4.252 4.252 4.624 -0.372 18415 9314 1 13 . 1 1 12 12 SER C C 12 173.339 173.339 172.938 0.401 18415 9315 1 13 . 1 1 12 12 SER CA C 12 59.795 59.795 57.879 1.916 18415 9316 1 13 . 1 1 12 12 SER CB C 12 62.943 62.943 64.409 -1.466 18415 9317 1 13 . 1 1 12 12 SER H H 12 8.189 8.189 8.259 -0.070 18415 9318 1 13 . 1 1 13 13 ASN N N 13 118.336 118.336 119.845 -1.509 18415 9319 1 13 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.179 0.077 18415 9320 1 13 . 1 1 13 13 ASN C C 13 174.330 174.330 173.211 1.119 18415 9321 1 13 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.513 -0.171 18415 9322 1 13 . 1 1 13 13 ASN CB C 13 43.458 43.458 43.236 0.222 18415 9323 1 13 . 1 1 13 13 ASN H H 13 8.242 8.242 8.219 0.023 18415 9324 1 13 . 1 1 14 14 CYS N N 14 118.315 118.315 118.084 0.231 18415 9325 1 13 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.290 0.571 18415 9326 1 13 . 1 1 14 14 CYS C C 14 174.314 174.314 173.770 0.544 18415 9327 1 13 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.880 -4.195 18415 9328 1 13 . 1 1 14 14 CYS CB C 14 44.019 44.019 27.806 16.213 18415 9329 1 13 . 1 1 14 14 CYS H H 14 8.592 8.592 8.941 -0.349 18415 9330 1 13 . 1 1 15 15 TYR N N 15 121.588 121.588 120.895 0.693 18415 9331 1 13 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.579 0.198 18415 9332 1 13 . 1 1 15 15 TYR C C 15 176.333 176.333 174.342 1.991 18415 9333 1 13 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.410 2.206 18415 9334 1 13 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.792 2.791 18415 9335 1 13 . 1 1 15 15 TYR H H 15 9.947 9.947 9.626 0.321 18415 9336 1 13 . 1 1 16 16 PHE N N 16 121.989 121.989 121.019 0.970 18415 9337 1 13 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.651 0.260 18415 9338 1 13 . 1 1 16 16 PHE C C 16 172.937 172.937 172.539 0.398 18415 9339 1 13 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.863 -0.465 18415 9340 1 13 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.820 -1.750 18415 9341 1 13 . 1 1 16 16 PHE H H 16 8.717 8.717 8.561 0.156 18415 9342 1 13 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.556 0.560 18415 9343 1 13 . 1 1 17 17 PRO C C 17 175.445 175.445 175.038 0.407 18415 9344 1 13 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.739 -0.251 18415 9345 1 13 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.885 0.106 18415 9346 1 13 . 1 1 18 18 LEU N N 18 126.062 126.062 125.807 0.255 18415 9347 1 13 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.301 0.380 18415 9348 1 13 . 1 1 18 18 LEU C C 18 177.391 177.391 178.029 -0.638 18415 9349 1 13 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.037 2.323 18415 9350 1 13 . 1 1 18 18 LEU CB C 18 45.482 45.482 42.314 3.168 18415 9351 1 13 . 1 1 18 18 LEU H H 18 9.054 9.054 8.901 0.153 18415 9352 1 13 . 1 1 19 19 THR N N 19 109.256 109.256 111.444 -2.188 18415 9353 1 13 . 1 1 19 19 THR HA H 19 4.612 4.612 4.305 0.307 18415 9354 1 13 . 1 1 19 19 THR C C 19 175.613 175.613 174.336 1.277 18415 9355 1 13 . 1 1 19 19 THR CA C 19 62.236 62.236 61.381 0.855 18415 9356 1 13 . 1 1 19 19 THR CB C 19 69.530 69.530 69.335 0.195 18415 9357 1 13 . 1 1 19 19 THR H H 19 8.303 8.303 8.443 -0.140 18415 9358 1 13 . 1 1 20 20 ASP N N 20 121.645 121.645 121.714 -0.069 18415 9359 1 13 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.588 -0.131 18415 9360 1 13 . 1 1 20 20 ASP C C 20 174.684 174.684 175.047 -0.363 18415 9361 1 13 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.188 -0.070 18415 9362 1 13 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.547 -1.478 18415 9363 1 13 . 1 1 20 20 ASP H H 20 8.834 8.834 7.955 0.879 18415 9364 1 13 . 1 1 21 21 ASN N N 21 118.648 118.648 115.120 3.528 18415 9365 1 13 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.969 -0.323 18415 9366 1 13 . 1 1 21 21 ASN C C 21 176.542 176.542 174.626 1.916 18415 9367 1 13 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.252 1.200 18415 9368 1 13 . 1 1 21 21 ASN CB C 21 39.453 39.453 40.345 -0.892 18415 9369 1 13 . 1 1 21 21 ASN H H 21 8.113 8.113 8.493 -0.380 18415 9370 1 13 . 1 1 22 22 LYS N N 22 122.470 122.470 122.554 -0.084 18415 9371 1 13 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.998 -0.142 18415 9372 1 13 . 1 1 22 22 LYS C C 22 176.711 176.711 176.416 0.295 18415 9373 1 13 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.838 0.827 18415 9374 1 13 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.899 2.640 18415 9375 1 13 . 1 1 22 22 LYS H H 22 8.794 8.794 8.804 -0.010 18415 9376 1 13 . 1 1 23 23 THR N N 23 109.009 109.009 114.418 -5.409 18415 9377 1 13 . 1 1 23 23 THR HA H 23 5.647 5.647 4.882 0.765 18415 9378 1 13 . 1 1 23 23 THR C C 23 178.411 178.411 175.822 2.589 18415 9379 1 13 . 1 1 23 23 THR CA C 23 61.773 61.773 62.155 -0.382 18415 9380 1 13 . 1 1 23 23 THR CB C 23 71.820 71.820 69.702 2.118 18415 9381 1 13 . 1 1 23 23 THR H H 23 8.250 8.250 9.166 -0.916 18415 9382 1 13 . 1 1 24 24 TRP N N 24 126.345 126.345 125.973 0.372 18415 9383 1 13 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.532 -0.502 18415 9384 1 13 . 1 1 24 24 TRP C C 24 178.204 178.204 177.134 1.070 18415 9385 1 13 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.581 3.000 18415 9386 1 13 . 1 1 24 24 TRP CB C 24 30.654 30.654 28.818 1.836 18415 9387 1 13 . 1 1 24 24 TRP H H 24 8.279 8.279 8.372 -0.093 18415 9388 1 13 . 1 1 25 25 ALA N N 25 119.965 119.965 120.036 -0.071 18415 9389 1 13 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.088 -0.140 18415 9390 1 13 . 1 1 25 25 ALA C C 25 182.089 182.089 179.881 2.208 18415 9391 1 13 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.532 0.358 18415 9392 1 13 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.021 0.234 18415 9393 1 13 . 1 1 25 25 ALA H H 25 9.634 9.634 7.883 1.751 18415 9394 1 13 . 1 1 26 26 GLU N N 26 116.492 116.492 118.209 -1.717 18415 9395 1 13 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.114 -0.051 18415 9396 1 13 . 1 1 26 26 GLU C C 26 179.756 179.756 179.237 0.519 18415 9397 1 13 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.555 -0.260 18415 9398 1 13 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.235 1.248 18415 9399 1 13 . 1 1 26 26 GLU H H 26 7.392 7.392 7.794 -0.402 18415 9400 1 13 . 1 1 27 27 SER N N 27 121.197 121.197 116.701 4.496 18415 9401 1 13 . 1 1 27 27 SER HA H 27 3.855 3.855 4.062 -0.207 18415 9402 1 13 . 1 1 27 27 SER C C 27 174.299 174.299 175.996 -1.697 18415 9403 1 13 . 1 1 27 27 SER CA C 27 63.344 63.344 62.636 0.708 18415 9404 1 13 . 1 1 27 27 SER CB C 27 62.329 62.329 62.717 -0.388 18415 9405 1 13 . 1 1 27 27 SER H H 27 8.596 8.596 8.709 -0.113 18415 9406 1 13 . 1 1 28 28 GLU N N 28 124.173 124.173 121.594 2.579 18415 9407 1 13 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.678 0.590 18415 9408 1 13 . 1 1 28 28 GLU C C 28 178.856 178.856 178.597 0.259 18415 9409 1 13 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.979 -0.780 18415 9410 1 13 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.322 -2.422 18415 9411 1 13 . 1 1 28 28 GLU H H 28 8.133 8.133 7.946 0.187 18415 9412 1 13 . 1 1 29 29 ARG N N 29 120.498 120.498 116.966 3.532 18415 9413 1 13 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.165 -0.122 18415 9414 1 13 . 1 1 29 29 ARG C C 29 179.339 179.339 178.486 0.853 18415 9415 1 13 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.873 0.818 18415 9416 1 13 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.375 -0.140 18415 9417 1 13 . 1 1 29 29 ARG H H 29 7.962 7.962 7.607 0.355 18415 9418 1 13 . 1 1 30 30 ASN N N 30 119.000 119.000 118.061 0.939 18415 9419 1 13 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.631 -0.184 18415 9420 1 13 . 1 1 30 30 ASN C C 30 178.153 178.153 175.518 2.635 18415 9421 1 13 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.175 2.475 18415 9422 1 13 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.128 1.308 18415 9423 1 13 . 1 1 30 30 ASN H H 30 7.960 7.960 8.012 -0.052 18415 9424 1 13 . 1 1 31 31 CYS N N 31 116.301 116.301 117.978 -1.677 18415 9425 1 13 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.968 -0.487 18415 9426 1 13 . 1 1 31 31 CYS C C 31 178.072 178.072 174.945 3.127 18415 9427 1 13 . 1 1 31 31 CYS CA C 31 56.410 56.410 57.860 -1.450 18415 9428 1 13 . 1 1 31 31 CYS CB C 31 34.709 34.709 26.787 7.922 18415 9429 1 13 . 1 1 31 31 CYS H H 31 8.477 8.477 7.755 0.722 18415 9430 1 13 . 1 1 32 32 SER N N 32 119.834 119.834 120.703 -0.869 18415 9431 1 13 . 1 1 32 32 SER HA H 32 4.700 4.700 4.649 0.051 18415 9432 1 13 . 1 1 32 32 SER C C 32 179.062 179.062 176.287 2.775 18415 9433 1 13 . 1 1 32 32 SER CA C 32 61.663 61.663 59.461 2.202 18415 9434 1 13 . 1 1 32 32 SER CB C 32 62.655 62.655 63.022 -0.367 18415 9435 1 13 . 1 1 32 32 SER H H 32 9.206 9.206 8.746 0.460 18415 9436 1 13 . 1 1 33 33 GLY N N 33 111.632 111.632 112.148 -0.516 18415 9437 1 13 . 1 1 33 33 GLY C C 33 174.861 174.861 175.707 -0.846 18415 9438 1 13 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.716 -1.049 18415 9439 1 13 . 1 1 33 33 GLY H H 33 8.053 8.053 8.980 -0.927 18415 9440 1 13 . 1 1 34 34 MET N N 34 116.998 116.998 117.649 -0.651 18415 9441 1 13 . 1 1 34 34 MET HA H 34 4.596 4.596 4.606 -0.010 18415 9442 1 13 . 1 1 34 34 MET C C 34 175.356 175.356 176.552 -1.196 18415 9443 1 13 . 1 1 34 34 MET CA C 34 54.887 54.887 53.523 1.364 18415 9444 1 13 . 1 1 34 34 MET CB C 34 33.959 33.959 31.343 2.616 18415 9445 1 13 . 1 1 34 34 MET H H 34 7.441 7.441 7.464 -0.023 18415 9446 1 13 . 1 1 35 35 GLY N N 35 106.474 106.474 107.147 -0.673 18415 9447 1 13 . 1 1 35 35 GLY C C 35 173.112 173.112 173.148 -0.036 18415 9448 1 13 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.225 0.176 18415 9449 1 13 . 1 1 35 35 GLY H H 35 7.807 7.807 8.182 -0.375 18415 9450 1 13 . 1 1 36 36 ALA N N 36 121.833 121.833 120.354 1.479 18415 9451 1 13 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.879 -0.177 18415 9452 1 13 . 1 1 36 36 ALA C C 36 174.285 174.285 175.160 -0.875 18415 9453 1 13 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.545 -0.824 18415 9454 1 13 . 1 1 36 36 ALA CB C 36 24.662 24.662 22.002 2.660 18415 9455 1 13 . 1 1 36 36 ALA H H 36 7.693 7.693 7.182 0.511 18415 9456 1 13 . 1 1 37 37 HIS N N 37 111.683 111.683 114.490 -2.807 18415 9457 1 13 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.185 -0.054 18415 9458 1 13 . 1 1 37 37 HIS C C 37 175.351 175.351 174.429 0.922 18415 9459 1 13 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.667 -0.094 18415 9460 1 13 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.349 0.622 18415 9461 1 13 . 1 1 37 37 HIS H H 37 8.078 8.078 8.780 -0.702 18415 9462 1 13 . 1 1 38 38 LEU N N 38 123.260 123.260 123.072 0.188 18415 9463 1 13 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.600 0.173 18415 9464 1 13 . 1 1 38 38 LEU C C 38 179.180 179.180 176.698 2.482 18415 9465 1 13 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.169 1.196 18415 9466 1 13 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.807 0.848 18415 9467 1 13 . 1 1 38 38 LEU H H 38 9.964 9.964 8.819 1.145 18415 9468 1 13 . 1 1 39 39 MET N N 39 119.511 119.511 127.270 -7.759 18415 9469 1 13 . 1 1 39 39 MET HA H 39 3.855 3.855 4.472 -0.617 18415 9470 1 13 . 1 1 39 39 MET C C 39 174.874 174.874 175.471 -0.597 18415 9471 1 13 . 1 1 39 39 MET CA C 39 58.789 58.789 56.696 2.093 18415 9472 1 13 . 1 1 39 39 MET CB C 39 34.405 34.405 32.822 1.583 18415 9473 1 13 . 1 1 39 39 MET H H 39 8.409 8.409 8.816 -0.407 18415 9474 1 13 . 1 1 40 40 THR N N 40 123.771 123.771 121.473 2.298 18415 9475 1 13 . 1 1 40 40 THR HA H 40 4.013 4.013 4.928 -0.915 18415 9476 1 13 . 1 1 40 40 THR C C 40 172.936 172.936 174.478 -1.542 18415 9477 1 13 . 1 1 40 40 THR CA C 40 59.869 59.869 59.865 0.004 18415 9478 1 13 . 1 1 40 40 THR CB C 40 70.587 70.587 69.280 1.307 18415 9479 1 13 . 1 1 40 40 THR H H 40 6.822 6.822 8.494 -1.672 18415 9480 1 13 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.353 -0.104 18415 9481 1 13 . 1 1 41 41 ILE C C 41 174.349 174.349 176.550 -2.201 18415 9482 1 13 . 1 1 41 41 ILE CA C 41 59.757 59.757 61.700 -1.943 18415 9483 1 13 . 1 1 41 41 ILE CB C 41 38.571 38.571 35.942 2.629 18415 9484 1 13 . 1 1 42 42 SER N N 42 122.113 122.113 122.710 -0.597 18415 9485 1 13 . 1 1 42 42 SER HA H 42 4.647 4.647 4.408 0.239 18415 9486 1 13 . 1 1 42 42 SER C C 42 174.502 174.502 173.578 0.924 18415 9487 1 13 . 1 1 42 42 SER CA C 42 59.768 59.768 60.019 -0.251 18415 9488 1 13 . 1 1 42 42 SER CB C 42 64.720 64.720 64.886 -0.166 18415 9489 1 13 . 1 1 42 42 SER H H 42 9.230 9.230 9.791 -0.561 18415 9490 1 13 . 1 1 43 43 THR N N 43 108.516 108.516 110.053 -1.537 18415 9491 1 13 . 1 1 43 43 THR HA H 43 4.807 4.807 4.724 0.083 18415 9492 1 13 . 1 1 43 43 THR C C 43 173.812 173.812 174.638 -0.826 18415 9493 1 13 . 1 1 43 43 THR CA C 43 59.249 59.249 59.758 -0.509 18415 9494 1 13 . 1 1 43 43 THR CB C 43 73.128 73.128 72.294 0.834 18415 9495 1 13 . 1 1 43 43 THR H H 43 7.559 7.559 7.314 0.245 18415 9496 1 13 . 1 1 44 44 GLU N N 44 123.057 123.057 123.442 -0.385 18415 9497 1 13 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.022 -0.573 18415 9498 1 13 . 1 1 44 44 GLU C C 44 178.262 178.262 177.879 0.383 18415 9499 1 13 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.300 0.029 18415 9500 1 13 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.031 0.411 18415 9501 1 13 . 1 1 44 44 GLU H H 44 9.377 9.377 9.118 0.259 18415 9502 1 13 . 1 1 45 45 ALA N N 45 119.910 119.910 121.979 -2.069 18415 9503 1 13 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.274 -0.224 18415 9504 1 13 . 1 1 45 45 ALA C C 45 180.096 180.096 179.569 0.527 18415 9505 1 13 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.720 0.460 18415 9506 1 13 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.137 0.130 18415 9507 1 13 . 1 1 45 45 ALA H H 45 8.328 8.328 8.478 -0.150 18415 9508 1 13 . 1 1 46 46 GLU N N 46 118.861 118.861 119.887 -1.026 18415 9509 1 13 . 1 1 46 46 GLU HA H 46 3.612 3.612 4.055 -0.443 18415 9510 1 13 . 1 1 46 46 GLU C C 46 177.452 177.452 178.393 -0.941 18415 9511 1 13 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.719 -0.435 18415 9512 1 13 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.505 1.008 18415 9513 1 13 . 1 1 46 46 GLU H H 46 7.852 7.852 7.892 -0.040 18415 9514 1 13 . 1 1 47 47 GLN N N 47 119.473 119.473 118.773 0.700 18415 9515 1 13 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.875 -0.188 18415 9516 1 13 . 1 1 47 47 GLN C C 47 176.429 176.429 177.836 -1.407 18415 9517 1 13 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.984 0.924 18415 9518 1 13 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.512 1.464 18415 9519 1 13 . 1 1 47 47 GLN H H 47 7.054 7.054 7.948 -0.894 18415 9520 1 13 . 1 1 48 48 ASN N N 48 115.182 115.182 118.073 -2.891 18415 9521 1 13 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.251 -0.038 18415 9522 1 13 . 1 1 48 48 ASN C C 48 176.986 176.986 176.930 0.056 18415 9523 1 13 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.362 -0.333 18415 9524 1 13 . 1 1 48 48 ASN CB C 48 37.558 37.558 37.870 -0.312 18415 9525 1 13 . 1 1 48 48 ASN H H 48 8.416 8.416 7.801 0.615 18415 9526 1 13 . 1 1 49 49 PHE N N 49 118.413 118.413 116.691 1.722 18415 9527 1 13 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.130 -0.151 18415 9528 1 13 . 1 1 49 49 PHE C C 49 177.254 177.254 176.069 1.185 18415 9529 1 13 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.123 0.039 18415 9530 1 13 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.056 -0.973 18415 9531 1 13 . 1 1 49 49 PHE H H 49 7.473 7.473 7.963 -0.490 18415 9532 1 13 . 1 1 50 50 ILE N N 50 117.601 117.601 120.169 -2.568 18415 9533 1 13 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.943 -0.402 18415 9534 1 13 . 1 1 50 50 ILE C C 50 176.891 176.891 176.529 0.362 18415 9535 1 13 . 1 1 50 50 ILE CA C 50 59.652 59.652 61.208 -1.556 18415 9536 1 13 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.960 0.249 18415 9537 1 13 . 1 1 50 50 ILE H H 50 7.020 7.020 7.394 -0.374 18415 9538 1 13 . 1 1 51 51 ILE N N 51 114.824 114.824 117.060 -2.236 18415 9539 1 13 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.985 -0.092 18415 9540 1 13 . 1 1 51 51 ILE C C 51 177.092 177.092 176.255 0.837 18415 9541 1 13 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.535 0.669 18415 9542 1 13 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.754 0.166 18415 9543 1 13 . 1 1 51 51 ILE H H 51 7.216 7.216 7.272 -0.056 18415 9544 1 13 . 1 1 52 52 GLN N N 52 116.767 116.767 116.511 0.256 18415 9545 1 13 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.970 -0.200 18415 9546 1 13 . 1 1 52 52 GLN C C 52 176.442 176.442 176.253 0.189 18415 9547 1 13 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.058 0.212 18415 9548 1 13 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.315 0.705 18415 9549 1 13 . 1 1 52 52 GLN H H 52 6.416 6.416 7.670 -1.254 18415 9550 1 13 . 1 1 53 53 PHE N N 53 115.400 115.400 117.911 -2.511 18415 9551 1 13 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.410 0.167 18415 9552 1 13 . 1 1 53 53 PHE C C 53 174.993 174.993 175.912 -0.919 18415 9553 1 13 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.678 -1.784 18415 9554 1 13 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.803 -0.271 18415 9555 1 13 . 1 1 53 53 PHE H H 53 7.216 7.216 7.141 0.075 18415 9556 1 13 . 1 1 54 54 LEU N N 54 118.096 118.096 119.319 -1.223 18415 9557 1 13 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.850 0.241 18415 9558 1 13 . 1 1 54 54 LEU C C 54 175.467 175.467 176.054 -0.587 18415 9559 1 13 . 1 1 54 54 LEU CA C 54 53.571 53.571 53.894 -0.323 18415 9560 1 13 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.522 0.185 18415 9561 1 13 . 1 1 54 54 LEU H H 54 6.668 6.668 7.134 -0.466 18415 9562 1 13 . 1 1 55 55 ASP N N 55 123.723 123.723 122.491 1.232 18415 9563 1 13 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.671 0.144 18415 9564 1 13 . 1 1 55 55 ASP C C 55 177.896 177.896 176.748 1.148 18415 9565 1 13 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.260 -1.162 18415 9566 1 13 . 1 1 55 55 ASP CB C 55 42.662 42.662 41.979 0.683 18415 9567 1 13 . 1 1 55 55 ASP H H 55 8.687 8.687 8.380 0.307 18415 9568 1 13 . 1 1 56 56 ARG N N 56 124.370 124.370 127.096 -2.726 18415 9569 1 13 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.256 0.054 18415 9570 1 13 . 1 1 56 56 ARG C C 56 178.201 178.201 175.684 2.517 18415 9571 1 13 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.384 1.574 18415 9572 1 13 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.252 2.326 18415 9573 1 13 . 1 1 56 56 ARG H H 56 8.758 8.758 8.952 -0.194 18415 9574 1 13 . 1 1 57 57 ARG N N 57 120.411 120.411 118.940 1.471 18415 9575 1 13 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.336 -0.042 18415 9576 1 13 . 1 1 57 57 ARG C C 57 177.064 177.064 174.798 2.266 18415 9577 1 13 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.368 1.164 18415 9578 1 13 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.298 -1.606 18415 9579 1 13 . 1 1 57 57 ARG H H 57 9.150 9.150 8.862 0.288 18415 9580 1 13 . 1 1 58 58 LEU N N 58 119.445 119.445 122.017 -2.572 18415 9581 1 13 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.564 0.140 18415 9582 1 13 . 1 1 58 58 LEU C C 58 176.450 176.450 175.942 0.508 18415 9583 1 13 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.550 0.729 18415 9584 1 13 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.215 0.043 18415 9585 1 13 . 1 1 58 58 LEU H H 58 8.328 8.328 7.838 0.490 18415 9586 1 13 . 1 1 59 59 SER N N 59 116.536 116.536 114.726 1.810 18415 9587 1 13 . 1 1 59 59 SER HA H 59 5.505 5.505 5.013 0.492 18415 9588 1 13 . 1 1 59 59 SER C C 59 173.263 173.263 173.111 0.152 18415 9589 1 13 . 1 1 59 59 SER CA C 59 57.199 57.199 57.042 0.157 18415 9590 1 13 . 1 1 59 59 SER CB C 59 65.064 65.064 64.113 0.951 18415 9591 1 13 . 1 1 59 59 SER H H 59 8.470 8.470 8.502 -0.032 18415 9592 1 13 . 1 1 60 60 TYR N N 60 120.274 120.274 124.224 -3.950 18415 9593 1 13 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.756 -0.479 18415 9594 1 13 . 1 1 60 60 TYR C C 60 175.560 175.560 175.334 0.226 18415 9595 1 13 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.902 -0.430 18415 9596 1 13 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.432 2.075 18415 9597 1 13 . 1 1 60 60 TYR H H 60 8.897 8.897 9.001 -0.104 18415 9598 1 13 . 1 1 61 61 PHE N N 61 123.635 123.635 122.597 1.038 18415 9599 1 13 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.711 0.577 18415 9600 1 13 . 1 1 61 61 PHE C C 61 175.433 175.433 175.591 -0.158 18415 9601 1 13 . 1 1 61 61 PHE CA C 61 61.075 61.075 59.368 1.707 18415 9602 1 13 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.367 1.502 18415 9603 1 13 . 1 1 61 61 PHE H H 61 9.521 9.521 8.885 0.636 18415 9604 1 13 . 1 1 62 62 LEU N N 62 114.382 114.382 116.020 -1.638 18415 9605 1 13 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.066 0.007 18415 9606 1 13 . 1 1 62 62 LEU C C 62 179.521 179.521 177.707 1.814 18415 9607 1 13 . 1 1 62 62 LEU CA C 62 51.783 51.783 52.899 -1.116 18415 9608 1 13 . 1 1 62 62 LEU CB C 62 46.276 46.276 43.715 2.562 18415 9609 1 13 . 1 1 62 62 LEU H H 62 8.394 8.394 8.169 0.225 18415 9610 1 13 . 1 1 63 63 GLY N N 63 106.675 106.675 108.763 -2.088 18415 9611 1 13 . 1 1 63 63 GLY C C 63 172.404 172.404 173.443 -1.039 18415 9612 1 13 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.927 2.466 18415 9613 1 13 . 1 1 63 63 GLY H H 63 9.253 9.253 9.215 0.038 18415 9614 1 13 . 1 1 64 64 LEU N N 64 124.754 124.754 123.835 0.919 18415 9615 1 13 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.823 -0.239 18415 9616 1 13 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.242 1.060 18415 9617 1 13 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.514 0.758 18415 9618 1 13 . 1 1 64 64 LEU H H 64 6.840 6.840 8.535 -1.695 18415 9619 1 13 . 1 1 65 65 ARG N N 65 124.476 124.476 124.851 -0.375 18415 9620 1 13 . 1 1 65 65 ARG HA H 65 5.160 5.160 3.897 1.263 18415 9621 1 13 . 1 1 65 65 ARG C C 65 174.245 174.245 174.307 -0.062 18415 9622 1 13 . 1 1 65 65 ARG CA C 65 54.904 54.904 55.469 -0.565 18415 9623 1 13 . 1 1 65 65 ARG CB C 65 34.531 34.531 31.756 2.775 18415 9624 1 13 . 1 1 65 65 ARG H H 65 8.218 8.218 8.935 -0.717 18415 9625 1 13 . 1 1 66 66 ASP N N 66 126.754 126.754 127.184 -0.430 18415 9626 1 13 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.541 -0.112 18415 9627 1 13 . 1 1 66 66 ASP C C 66 176.516 176.516 174.909 1.607 18415 9628 1 13 . 1 1 66 66 ASP CA C 66 51.854 51.854 53.290 -1.436 18415 9629 1 13 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.669 -2.901 18415 9630 1 13 . 1 1 66 66 ASP H H 66 8.756 8.756 7.949 0.807 18415 9631 1 13 . 1 1 67 67 GLU N N 67 123.390 123.390 118.959 4.431 18415 9632 1 13 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.138 -0.362 18415 9633 1 13 . 1 1 67 67 GLU C C 67 175.648 175.648 175.335 0.313 18415 9634 1 13 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.945 2.903 18415 9635 1 13 . 1 1 67 67 GLU CB C 67 30.316 30.316 28.881 1.435 18415 9636 1 13 . 1 1 67 67 GLU H H 67 8.488 8.488 8.268 0.220 18415 9637 1 13 . 1 1 68 68 ASN N N 68 114.882 114.882 116.597 -1.715 18415 9638 1 13 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.733 -0.069 18415 9639 1 13 . 1 1 68 68 ASN C C 68 174.482 174.482 173.092 1.390 18415 9640 1 13 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.443 -0.529 18415 9641 1 13 . 1 1 68 68 ASN CB C 68 39.412 39.412 40.837 -1.425 18415 9642 1 13 . 1 1 68 68 ASN H H 68 8.336 8.336 7.221 1.115 18415 9643 1 13 . 1 1 69 69 ALA N N 69 118.915 118.915 126.513 -7.598 18415 9644 1 13 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.122 -0.248 18415 9645 1 13 . 1 1 69 69 ALA C C 69 177.082 177.082 176.467 0.615 18415 9646 1 13 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.437 1.195 18415 9647 1 13 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.933 -0.762 18415 9648 1 13 . 1 1 69 69 ALA H H 69 7.444 7.444 8.099 -0.655 18415 9649 1 13 . 1 1 70 70 LYS N N 70 117.439 117.439 122.724 -5.285 18415 9650 1 13 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.425 -0.107 18415 9651 1 13 . 1 1 70 70 LYS C C 70 177.726 177.726 176.435 1.291 18415 9652 1 13 . 1 1 70 70 LYS CA C 70 55.423 55.423 54.758 0.665 18415 9653 1 13 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.802 -1.066 18415 9654 1 13 . 1 1 70 70 LYS H H 70 7.925 7.925 7.612 0.313 18415 9655 1 13 . 1 1 71 71 GLY C C 71 175.127 175.127 174.032 1.095 18415 9656 1 13 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.579 0.095 18415 9657 1 13 . 1 1 72 72 GLN N N 72 124.084 124.084 118.093 5.991 18415 9658 1 13 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.157 0.234 18415 9659 1 13 . 1 1 72 72 GLN C C 72 174.283 174.283 175.369 -1.086 18415 9660 1 13 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.325 -1.168 18415 9661 1 13 . 1 1 72 72 GLN CB C 72 27.633 27.633 29.047 -1.414 18415 9662 1 13 . 1 1 72 72 GLN H H 72 7.749 7.749 7.681 0.068 18415 9663 1 13 . 1 1 73 73 TRP N N 73 121.803 121.803 121.195 0.608 18415 9664 1 13 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.456 -0.551 18415 9665 1 13 . 1 1 73 73 TRP C C 73 175.776 175.776 176.256 -0.480 18415 9666 1 13 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.550 -1.729 18415 9667 1 13 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.699 0.177 18415 9668 1 13 . 1 1 73 73 TRP H H 73 6.599 6.599 7.978 -1.379 18415 9669 1 13 . 1 1 74 74 ARG N N 74 119.549 119.549 120.461 -0.912 18415 9670 1 13 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.667 0.039 18415 9671 1 13 . 1 1 74 74 ARG C C 74 176.980 176.980 175.637 1.343 18415 9672 1 13 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.812 -0.479 18415 9673 1 13 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.085 0.538 18415 9674 1 13 . 1 1 74 74 ARG H H 74 8.443 8.443 7.926 0.517 18415 9675 1 13 . 1 1 75 75 TRP N N 75 125.690 125.690 120.815 4.875 18415 9676 1 13 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.422 0.005 18415 9677 1 13 . 1 1 75 75 TRP C C 75 180.474 180.474 178.047 2.427 18415 9678 1 13 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.196 -1.430 18415 9679 1 13 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.144 0.886 18415 9680 1 13 . 1 1 75 75 TRP H H 75 9.052 9.052 8.731 0.321 18415 9681 1 13 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.168 0.110 18415 9682 1 13 . 1 1 76 76 VAL C C 76 175.431 175.431 176.118 -0.687 18415 9683 1 13 . 1 1 76 76 VAL CA C 76 64.564 64.564 63.368 1.196 18415 9684 1 13 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.234 0.135 18415 9685 1 13 . 1 1 77 77 ASP N N 77 119.941 119.941 120.432 -0.491 18415 9686 1 13 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.716 -0.738 18415 9687 1 13 . 1 1 77 77 ASP C C 77 176.293 176.293 176.457 -0.164 18415 9688 1 13 . 1 1 77 77 ASP CA C 77 52.759 52.759 52.876 -0.117 18415 9689 1 13 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.612 -0.202 18415 9690 1 13 . 1 1 77 77 ASP H H 77 8.004 8.004 7.956 0.048 18415 9691 1 13 . 1 1 78 78 GLN N N 78 109.962 109.962 122.680 -12.718 18415 9692 1 13 . 1 1 78 78 GLN HA H 78 4.125 4.125 3.871 0.254 18415 9693 1 13 . 1 1 78 78 GLN C C 78 176.387 176.387 175.952 0.435 18415 9694 1 13 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.474 -0.682 18415 9695 1 13 . 1 1 78 78 GLN CB C 78 26.101 26.101 28.002 -1.901 18415 9696 1 13 . 1 1 78 78 GLN H H 78 8.124 8.124 8.854 -0.730 18415 9697 1 13 . 1 1 79 79 THR N N 79 121.656 121.656 119.500 2.156 18415 9698 1 13 . 1 1 79 79 THR HA H 79 4.250 4.250 4.241 0.009 18415 9699 1 13 . 1 1 79 79 THR C C 79 172.901 172.901 173.136 -0.235 18415 9700 1 13 . 1 1 79 79 THR CA C 79 63.165 63.165 64.251 -1.086 18415 9701 1 13 . 1 1 79 79 THR CB C 79 69.427 69.427 68.130 1.297 18415 9702 1 13 . 1 1 79 79 THR H H 79 8.172 8.172 8.211 -0.039 18415 9703 1 13 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.612 -0.090 18415 9704 1 13 . 1 1 80 80 PRO C C 80 176.940 176.940 176.913 0.027 18415 9705 1 13 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.512 1.176 18415 9706 1 13 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.548 -0.361 18415 9707 1 13 . 1 1 81 81 PHE N N 81 125.403 125.403 119.519 5.884 18415 9708 1 13 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.569 0.340 18415 9709 1 13 . 1 1 81 81 PHE C C 81 174.853 174.853 175.482 -0.629 18415 9710 1 13 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.632 -1.279 18415 9711 1 13 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.670 0.349 18415 9712 1 13 . 1 1 81 81 PHE H H 81 9.015 9.015 8.619 0.396 18415 9713 1 13 . 1 1 82 82 ASN N N 82 129.264 129.264 126.405 2.859 18415 9714 1 13 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.809 0.246 18415 9715 1 13 . 1 1 82 82 ASN C C 82 173.643 173.643 173.574 0.069 18415 9716 1 13 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.538 -2.735 18415 9717 1 13 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.907 0.588 18415 9718 1 13 . 1 1 82 82 ASN H H 82 8.985 8.985 8.451 0.534 18415 9719 1 13 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.445 -0.442 18415 9720 1 13 . 1 1 83 83 PRO C C 83 177.123 177.123 176.711 0.412 18415 9721 1 13 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.358 -0.573 18415 9722 1 13 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.196 0.318 18415 9723 1 13 . 1 1 84 84 ARG N N 84 114.801 114.801 118.873 -4.072 18415 9724 1 13 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.247 0.075 18415 9725 1 13 . 1 1 84 84 ARG C C 84 176.890 176.890 175.828 1.062 18415 9726 1 13 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.740 -0.737 18415 9727 1 13 . 1 1 84 84 ARG CB C 84 30.158 30.158 31.022 -0.864 18415 9728 1 13 . 1 1 84 84 ARG H H 84 7.697 7.697 8.271 -0.574 18415 9729 1 13 . 1 1 85 85 ARG N N 85 123.958 123.958 121.015 2.943 18415 9730 1 13 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.902 0.403 18415 9731 1 13 . 1 1 85 85 ARG C C 85 173.017 173.017 174.100 -1.083 18415 9732 1 13 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.866 -1.057 18415 9733 1 13 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.168 -0.127 18415 9734 1 13 . 1 1 85 85 ARG H H 85 7.596 7.596 7.895 -0.299 18415 9735 1 13 . 1 1 86 86 VAL N N 86 110.039 110.039 122.726 -12.687 18415 9736 1 13 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.640 0.159 18415 9737 1 13 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.438 -2.172 18415 9738 1 13 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.443 1.784 18415 9739 1 13 . 1 1 86 86 VAL H H 86 6.570 6.570 7.422 -0.852 18415 9740 1 13 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.187 0.135 18415 9741 1 13 . 1 1 87 87 PHE C C 87 173.471 173.471 174.242 -0.771 18415 9742 1 13 . 1 1 87 87 PHE CA C 87 55.377 55.377 56.379 -1.002 18415 9743 1 13 . 1 1 87 87 PHE CB C 87 37.384 37.384 37.112 0.272 18415 9744 1 13 . 1 1 88 88 TRP N N 88 118.538 118.538 122.893 -4.355 18415 9745 1 13 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.861 -0.059 18415 9746 1 13 . 1 1 88 88 TRP C C 88 179.297 179.297 177.051 2.246 18415 9747 1 13 . 1 1 88 88 TRP CA C 88 57.237 57.237 55.444 1.793 18415 9748 1 13 . 1 1 88 88 TRP CB C 88 31.550 31.550 31.520 0.030 18415 9749 1 13 . 1 1 88 88 TRP H H 88 6.633 6.633 7.893 -1.260 18415 9750 1 13 . 1 1 89 89 HIS N N 89 122.693 122.693 117.783 4.910 18415 9751 1 13 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.520 -0.149 18415 9752 1 13 . 1 1 89 89 HIS C C 89 175.621 175.621 176.296 -0.675 18415 9753 1 13 . 1 1 89 89 HIS CA C 89 58.121 58.121 60.177 -2.056 18415 9754 1 13 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.405 1.307 18415 9755 1 13 . 1 1 89 89 HIS H H 89 9.473 9.473 8.988 0.485 18415 9756 1 13 . 1 1 90 90 LYS N N 90 120.826 120.826 116.814 4.012 18415 9757 1 13 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.402 -0.291 18415 9758 1 13 . 1 1 90 90 LYS C C 90 177.228 177.228 175.796 1.432 18415 9759 1 13 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.838 0.404 18415 9760 1 13 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.485 -1.003 18415 9761 1 13 . 1 1 90 90 LYS H H 90 8.741 8.741 9.197 -0.456 18415 9762 1 13 . 1 1 91 91 ASN N N 91 117.166 117.166 118.222 -1.056 18415 9763 1 13 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.663 -0.347 18415 9764 1 13 . 1 1 91 91 ASN C C 91 173.391 173.391 173.315 0.076 18415 9765 1 13 . 1 1 91 91 ASN CA C 91 55.335 55.335 54.329 1.006 18415 9766 1 13 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.712 -1.327 18415 9767 1 13 . 1 1 91 91 ASN H H 91 8.906 8.906 7.955 0.951 18415 9768 1 13 . 1 1 92 92 GLU N N 92 116.991 116.991 120.413 -3.422 18415 9769 1 13 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.650 -0.363 18415 9770 1 13 . 1 1 92 92 GLU C C 92 173.188 173.188 173.962 -0.774 18415 9771 1 13 . 1 1 92 92 GLU CA C 92 53.271 53.271 52.420 0.851 18415 9772 1 13 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.339 0.115 18415 9773 1 13 . 1 1 92 92 GLU H H 92 7.738 7.738 8.124 -0.386 18415 9774 1 13 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.719 -0.075 18415 9775 1 13 . 1 1 95 95 ASN C C 95 175.699 175.699 175.473 0.226 18415 9776 1 13 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.967 -0.508 18415 9777 1 13 . 1 1 95 95 ASN CB C 95 38.725 38.725 41.560 -2.835 18415 9778 1 13 . 1 1 96 96 SER N N 96 116.489 116.489 117.407 -0.918 18415 9779 1 13 . 1 1 96 96 SER HA H 96 4.405 4.405 4.404 0.001 18415 9780 1 13 . 1 1 96 96 SER C C 96 174.831 174.831 173.919 0.912 18415 9781 1 13 . 1 1 96 96 SER CA C 96 58.753 58.753 58.096 0.657 18415 9782 1 13 . 1 1 96 96 SER CB C 96 64.216 64.216 62.457 1.759 18415 9783 1 13 . 1 1 96 96 SER H H 96 8.118 8.118 8.665 -0.547 18415 9784 1 13 . 1 1 97 97 GLN N N 97 121.023 121.023 126.172 -5.149 18415 9785 1 13 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.080 0.172 18415 9786 1 13 . 1 1 97 97 GLN C C 97 176.063 176.063 176.159 -0.096 18415 9787 1 13 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.564 -0.607 18415 9788 1 13 . 1 1 97 97 GLN CB C 97 29.528 29.528 27.001 2.527 18415 9789 1 13 . 1 1 97 97 GLN H H 97 8.371 8.371 8.024 0.347 18415 9790 1 13 . 1 1 98 98 GLY N N 98 110.498 110.498 112.679 -2.181 18415 9791 1 13 . 1 1 98 98 GLY C C 98 172.460 172.460 173.736 -1.276 18415 9792 1 13 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.503 -0.567 18415 9793 1 13 . 1 1 98 98 GLY H H 98 8.080 8.080 8.158 -0.078 18415 9794 1 13 . 1 1 99 99 GLU N N 99 119.919 119.919 121.953 -2.034 18415 9795 1 13 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.522 -0.251 18415 9796 1 13 . 1 1 99 99 GLU C C 99 176.605 176.605 175.205 1.400 18415 9797 1 13 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.155 1.353 18415 9798 1 13 . 1 1 99 99 GLU CB C 99 29.469 29.469 31.976 -2.507 18415 9799 1 13 . 1 1 99 99 GLU H H 99 8.004 8.004 7.776 0.228 18415 9800 1 13 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.996 0.284 18415 9801 1 13 . 1 1 100 100 ASN CA C 100 53.381 53.381 53.584 -0.203 18415 9802 1 13 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.260 1.657 18415 9803 1 13 . 1 1 101 101 CYS N N 101 121.118 121.118 116.848 4.270 18415 9804 1 13 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.045 1.445 18415 9805 1 13 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.595 0.743 18415 9806 1 13 . 1 1 101 101 CYS CB C 101 43.778 43.778 25.343 18.435 18415 9807 1 13 . 1 1 101 101 CYS H H 101 9.707 9.707 8.147 1.560 18415 9808 1 13 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.757 -0.571 18415 9809 1 13 . 1 1 102 102 VAL C C 102 175.530 175.530 175.580 -0.050 18415 9810 1 13 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.735 3.298 18415 9811 1 13 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.599 1.555 18415 9812 1 13 . 1 1 103 103 VAL N N 103 115.890 115.890 123.094 -7.204 18415 9813 1 13 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.968 0.380 18415 9814 1 13 . 1 1 103 103 VAL C C 103 175.136 175.136 174.801 0.335 18415 9815 1 13 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.456 -1.719 18415 9816 1 13 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.644 -0.510 18415 9817 1 13 . 1 1 103 103 VAL H H 103 8.698 8.698 8.435 0.263 18415 9818 1 13 . 1 1 104 104 LEU N N 104 124.477 124.477 129.135 -4.658 18415 9819 1 13 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.034 -0.058 18415 9820 1 13 . 1 1 104 104 LEU C C 104 176.248 176.248 175.974 0.274 18415 9821 1 13 . 1 1 104 104 LEU CA C 104 54.993 54.993 55.147 -0.154 18415 9822 1 13 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.750 3.092 18415 9823 1 13 . 1 1 104 104 LEU H H 104 9.453 9.453 9.192 0.261 18415 9824 1 13 . 1 1 105 105 VAL N N 105 123.109 123.109 124.451 -1.342 18415 9825 1 13 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.729 0.286 18415 9826 1 13 . 1 1 105 105 VAL C C 105 173.635 173.635 173.801 -0.166 18415 9827 1 13 . 1 1 105 105 VAL CA C 105 61.233 61.233 58.910 2.322 18415 9828 1 13 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.271 0.363 18415 9829 1 13 . 1 1 105 105 VAL H H 105 9.477 9.477 8.850 0.627 18415 9830 1 13 . 1 1 106 106 TYR N N 106 136.491 136.491 127.886 8.605 18415 9831 1 13 . 1 1 106 106 TYR HA H 106 4.465 4.465 3.841 0.624 18415 9832 1 13 . 1 1 106 106 TYR C C 106 175.009 175.009 173.879 1.130 18415 9833 1 13 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.489 -1.440 18415 9834 1 13 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.888 0.063 18415 9835 1 13 . 1 1 106 106 TYR H H 106 9.509 9.509 8.494 1.015 18415 9836 1 13 . 1 1 107 107 ASN N N 107 124.433 124.433 125.258 -0.825 18415 9837 1 13 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.395 0.155 18415 9838 1 13 . 1 1 107 107 ASN C C 107 173.919 173.919 173.578 0.341 18415 9839 1 13 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.883 -0.274 18415 9840 1 13 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.383 0.627 18415 9841 1 13 . 1 1 107 107 ASN H H 107 8.329 8.329 8.287 0.042 18415 9842 1 13 . 1 1 108 108 GLN N N 108 119.681 119.681 123.162 -3.481 18415 9843 1 13 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.868 -0.214 18415 9844 1 13 . 1 1 108 108 GLN C C 108 175.060 175.060 175.005 0.055 18415 9845 1 13 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.954 0.652 18415 9846 1 13 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.675 -0.411 18415 9847 1 13 . 1 1 108 108 GLN H H 108 8.558 8.558 8.769 -0.211 18415 9848 1 13 . 1 1 109 109 ASP N N 109 109.712 109.712 112.718 -3.006 18415 9849 1 13 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.933 0.044 18415 9850 1 13 . 1 1 109 109 ASP C C 109 174.354 174.354 175.068 -0.714 18415 9851 1 13 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.894 -0.695 18415 9852 1 13 . 1 1 109 109 ASP CB C 109 40.026 40.026 41.107 -1.081 18415 9853 1 13 . 1 1 109 109 ASP H H 109 8.199 8.199 8.301 -0.102 18415 9854 1 13 . 1 1 110 110 LYS N N 110 115.590 115.590 117.060 -1.470 18415 9855 1 13 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.653 -0.101 18415 9856 1 13 . 1 1 110 110 LYS C C 110 174.674 174.674 175.990 -1.316 18415 9857 1 13 . 1 1 110 110 LYS CA C 110 55.469 55.469 55.045 0.424 18415 9858 1 13 . 1 1 110 110 LYS CB C 110 35.589 35.589 33.801 1.788 18415 9859 1 13 . 1 1 110 110 LYS H H 110 7.081 7.081 7.184 -0.103 18415 9860 1 13 . 1 1 111 111 TRP N N 111 122.248 122.248 123.218 -0.970 18415 9861 1 13 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.272 -0.199 18415 9862 1 13 . 1 1 111 111 TRP C C 111 175.920 175.920 176.552 -0.632 18415 9863 1 13 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.714 -0.525 18415 9864 1 13 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.043 0.826 18415 9865 1 13 . 1 1 111 111 TRP H H 111 8.650 8.650 8.667 -0.017 18415 9866 1 13 . 1 1 112 112 ALA N N 112 124.184 124.184 123.979 0.205 18415 9867 1 13 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.369 -0.201 18415 9868 1 13 . 1 1 112 112 ALA C C 112 174.995 174.995 175.237 -0.242 18415 9869 1 13 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.223 1.092 18415 9870 1 13 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.543 -4.661 18415 9871 1 13 . 1 1 112 112 ALA H H 112 8.790 8.790 8.830 -0.040 18415 9872 1 13 . 1 1 113 113 TRP N N 113 118.725 118.725 119.258 -0.533 18415 9873 1 13 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.697 0.459 18415 9874 1 13 . 1 1 113 113 TRP C C 113 177.471 177.471 177.197 0.274 18415 9875 1 13 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.383 -0.768 18415 9876 1 13 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.958 2.416 18415 9877 1 13 . 1 1 113 113 TRP H H 113 8.969 8.969 8.465 0.504 18415 9878 1 13 . 1 1 114 114 ASN N N 114 120.479 120.479 118.176 2.303 18415 9879 1 13 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.206 0.284 18415 9880 1 13 . 1 1 114 114 ASN C C 114 174.708 174.708 173.588 1.120 18415 9881 1 13 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.397 -0.639 18415 9882 1 13 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.377 -0.359 18415 9883 1 13 . 1 1 114 114 ASN H H 114 9.518 9.518 8.653 0.865 18415 9884 1 13 . 1 1 115 115 ASP N N 115 118.209 118.209 124.614 -6.405 18415 9885 1 13 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.820 1.051 18415 9886 1 13 . 1 1 115 115 ASP C C 115 174.291 174.291 175.190 -0.899 18415 9887 1 13 . 1 1 115 115 ASP CA C 115 52.187 52.187 55.408 -3.221 18415 9888 1 13 . 1 1 115 115 ASP CB C 115 40.504 40.504 40.997 -0.493 18415 9889 1 13 . 1 1 115 115 ASP H H 115 8.563 8.563 8.624 -0.061 18415 9890 1 13 . 1 1 116 116 VAL N N 116 118.669 118.669 120.939 -2.270 18415 9891 1 13 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.458 0.437 18415 9892 1 13 . 1 1 116 116 VAL C C 116 172.334 172.334 173.230 -0.896 18415 9893 1 13 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.714 -0.433 18415 9894 1 13 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.280 0.053 18415 9895 1 13 . 1 1 116 116 VAL H H 116 9.369 9.369 8.782 0.587 18415 9896 1 13 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.319 0.615 18415 9897 1 13 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.119 -0.043 18415 9898 1 13 . 1 1 117 117 PRO CB C 117 32.359 32.359 32.326 0.033 18415 9899 1 13 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.271 0.179 18415 9900 1 13 . 1 1 118 118 CYS C C 118 175.583 175.583 176.081 -0.498 18415 9901 1 13 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.768 -1.864 18415 9902 1 13 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.204 17.637 18415 9903 1 13 . 1 1 119 119 ASN N N 119 117.251 117.251 116.880 0.371 18415 9904 1 13 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.789 0.124 18415 9905 1 13 . 1 1 119 119 ASN C C 119 174.849 174.849 174.306 0.543 18415 9906 1 13 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.681 -0.539 18415 9907 1 13 . 1 1 119 119 ASN CB C 119 37.076 37.076 39.236 -2.160 18415 9908 1 13 . 1 1 119 119 ASN H H 119 8.411 8.411 8.007 0.404 18415 9909 1 13 . 1 1 120 120 PHE N N 120 123.415 123.415 121.908 1.507 18415 9910 1 13 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.684 -0.138 18415 9911 1 13 . 1 1 120 120 PHE C C 120 173.156 173.156 174.660 -1.504 18415 9912 1 13 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.784 1.576 18415 9913 1 13 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.821 -0.372 18415 9914 1 13 . 1 1 120 120 PHE H H 120 8.097 8.097 8.123 -0.026 18415 9915 1 13 . 1 1 121 121 GLU N N 121 119.143 119.143 126.493 -7.350 18415 9916 1 13 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.508 0.045 18415 9917 1 13 . 1 1 121 121 GLU C C 121 174.732 174.732 174.824 -0.092 18415 9918 1 13 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.638 -2.050 18415 9919 1 13 . 1 1 121 121 GLU CB C 121 30.420 30.420 30.178 0.242 18415 9920 1 13 . 1 1 121 121 GLU H H 121 7.012 7.012 8.358 -1.346 18415 9921 1 13 . 1 1 122 122 ALA N N 122 125.793 125.793 126.599 -0.806 18415 9922 1 13 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.295 0.176 18415 9923 1 13 . 1 1 122 122 ALA C C 122 177.616 177.616 175.079 2.537 18415 9924 1 13 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.905 0.338 18415 9925 1 13 . 1 1 122 122 ALA CB C 122 20.602 20.602 20.972 -0.370 18415 9926 1 13 . 1 1 122 122 ALA H H 122 8.441 8.441 9.065 -0.624 18415 9927 1 13 . 1 1 123 123 SER N N 123 115.420 115.420 114.684 0.736 18415 9928 1 13 . 1 1 123 123 SER HA H 123 4.522 4.522 5.440 -0.918 18415 9929 1 13 . 1 1 123 123 SER C C 123 172.514 172.514 174.819 -2.305 18415 9930 1 13 . 1 1 123 123 SER CA C 123 60.661 60.661 56.897 3.764 18415 9931 1 13 . 1 1 123 123 SER CB C 123 62.943 62.943 64.060 -1.117 18415 9932 1 13 . 1 1 123 123 SER H H 123 7.716 7.716 8.004 -0.288 18415 9933 1 13 . 1 1 124 124 ARG N N 124 112.529 112.529 118.787 -6.258 18415 9934 1 13 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.864 0.626 18415 9935 1 13 . 1 1 124 124 ARG C C 124 173.779 173.779 174.823 -1.044 18415 9936 1 13 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.141 0.798 18415 9937 1 13 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.478 -2.553 18415 9938 1 13 . 1 1 124 124 ARG H H 124 8.840 8.840 7.882 0.958 18415 9939 1 13 . 1 1 125 125 ILE N N 125 116.525 116.525 119.587 -3.062 18415 9940 1 13 . 1 1 125 125 ILE HA H 125 4.718 4.718 5.016 -0.298 18415 9941 1 13 . 1 1 125 125 ILE C C 125 175.656 175.656 175.000 0.656 18415 9942 1 13 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.545 1.291 18415 9943 1 13 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.309 0.249 18415 9944 1 13 . 1 1 125 125 ILE H H 125 6.989 6.989 8.230 -1.241 18415 9945 1 13 . 1 1 126 126 CYS N N 126 123.910 123.910 127.096 -3.186 18415 9946 1 13 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.415 0.155 18415 9947 1 13 . 1 1 126 126 CYS C C 126 173.662 173.662 174.022 -0.360 18415 9948 1 13 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.528 -5.688 18415 9949 1 13 . 1 1 126 126 CYS CB C 126 39.141 39.141 27.634 11.507 18415 9950 1 13 . 1 1 126 126 CYS H H 126 8.288 8.288 8.957 -0.669 18415 9951 1 13 . 1 1 127 127 LYS N N 127 124.170 124.170 125.581 -1.411 18415 9952 1 13 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.125 0.494 18415 9953 1 13 . 1 1 127 127 LYS C C 127 174.637 174.637 174.747 -0.110 18415 9954 1 13 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.562 0.673 18415 9955 1 13 . 1 1 127 127 LYS CB C 127 38.518 38.518 34.857 3.661 18415 9956 1 13 . 1 1 127 127 LYS H H 127 9.681 9.681 9.388 0.293 18415 9957 1 13 . 1 1 128 128 ILE N N 128 129.226 129.226 125.866 3.360 18415 9958 1 13 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.873 0.027 18415 9959 1 13 . 1 1 128 128 ILE C C 128 172.463 172.463 172.928 -0.465 18415 9960 1 13 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.238 1.146 18415 9961 1 13 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.549 1.339 18415 9962 1 13 . 1 1 128 128 ILE H H 128 9.205 9.205 8.947 0.258 18415 9963 1 13 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.587 0.404 18415 9964 1 13 . 1 1 129 129 PRO C C 129 177.954 177.954 177.796 0.158 18415 9965 1 13 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.695 -0.071 18415 9966 1 13 . 1 1 129 129 PRO CB C 129 32.501 32.501 31.950 0.551 18415 9967 1 13 . 1 1 130 130 GLY N N 130 110.745 110.745 109.569 1.176 18415 9968 1 13 . 1 1 130 130 GLY C C 130 175.022 175.022 174.888 0.134 18415 9969 1 13 . 1 1 130 130 GLY CA C 130 46.256 46.256 44.915 1.341 18415 9970 1 13 . 1 1 130 130 GLY H H 130 8.673 8.673 8.752 -0.079 18415 9971 1 13 . 1 1 131 131 THR N N 131 112.246 112.246 115.578 -3.332 18415 9972 1 13 . 1 1 131 131 THR HA H 131 4.427 4.427 4.056 0.371 18415 9973 1 13 . 1 1 131 131 THR C C 131 175.259 175.259 175.570 -0.311 18415 9974 1 13 . 1 1 131 131 THR CA C 131 61.500 61.500 65.845 -4.345 18415 9975 1 13 . 1 1 131 131 THR CB C 131 69.998 69.998 68.704 1.294 18415 9976 1 13 . 1 1 131 131 THR H H 131 7.870 7.870 8.272 -0.402 18415 9977 1 13 . 1 1 132 132 THR N N 132 116.455 116.455 113.576 2.879 18415 9978 1 13 . 1 1 132 132 THR HA H 132 4.281 4.281 4.327 -0.046 18415 9979 1 13 . 1 1 132 132 THR C C 132 174.867 174.867 174.723 0.144 18415 9980 1 13 . 1 1 132 132 THR CA C 132 62.453 62.453 62.805 -0.352 18415 9981 1 13 . 1 1 132 132 THR CB C 132 69.868 69.868 68.247 1.621 18415 9982 1 13 . 1 1 132 132 THR H H 132 8.120 8.120 8.302 -0.182 18415 9983 1 13 . 1 1 133 133 LEU N N 133 124.001 124.001 122.462 1.539 18415 9984 1 13 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.238 0.024 18415 9985 1 13 . 1 1 133 133 LEU C C 133 177.365 177.365 177.781 -0.416 18415 9986 1 13 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.893 -1.146 18415 9987 1 13 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.904 0.418 18415 9988 1 13 . 1 1 133 133 LEU H H 133 8.117 8.117 7.530 0.587 18415 9989 1 13 . 1 1 134 134 ASN N N 134 119.222 119.222 117.478 1.744 18415 9990 1 13 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.675 -0.054 18415 9991 1 13 . 1 1 134 134 ASN C C 134 175.725 175.725 176.728 -1.003 18415 9992 1 13 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.202 -1.577 18415 9993 1 13 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.786 -0.951 18415 9994 1 13 . 1 1 134 134 ASN H H 134 8.325 8.325 7.957 0.368 18415 9995 1 13 . 1 1 135 135 ALA N N 135 123.649 123.649 123.826 -0.177 18415 9996 1 13 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.682 -0.553 18415 9997 1 13 . 1 1 135 135 ALA C C 135 179.061 179.061 177.235 1.826 18415 9998 1 13 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.377 2.555 18415 9999 1 13 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.597 1.342 18415 10000 1 13 . 1 1 135 135 ALA H H 135 8.205 8.205 7.936 0.269 18415 10001 1 13 . 1 1 136 136 GLU N N 136 119.187 119.187 120.388 -1.201 18415 10002 1 13 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.081 0.124 18415 10003 1 13 . 1 1 136 136 GLU C C 136 177.504 177.504 178.345 -0.841 18415 10004 1 13 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.272 -1.393 18415 10005 1 13 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.883 0.763 18415 10006 1 13 . 1 1 136 136 GLU H H 136 8.349 8.349 7.861 0.488 18415 10007 1 13 . 1 1 137 137 ASN N N 137 118.988 118.988 117.749 1.239 18415 10008 1 13 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.660 -0.023 18415 10009 1 13 . 1 1 137 137 ASN C C 137 176.785 176.785 177.206 -0.421 18415 10010 1 13 . 1 1 137 137 ASN CA C 137 54.474 54.474 54.989 -0.515 18415 10011 1 13 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.739 -0.030 18415 10012 1 13 . 1 1 137 137 ASN H H 137 8.259 8.259 8.207 0.052 18415 10013 1 13 . 1 1 138 138 LEU N N 138 121.438 121.438 121.735 -0.297 18415 10014 1 13 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.066 0.069 18415 10015 1 13 . 1 1 138 138 LEU C C 138 178.872 178.872 178.445 0.427 18415 10016 1 13 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.086 -1.159 18415 10017 1 13 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.297 0.704 18415 10018 1 13 . 1 1 138 138 LEU H H 138 8.084 8.084 7.988 0.096 18415 10019 1 13 . 1 1 139 139 TYR N N 139 120.558 120.558 116.819 3.739 18415 10020 1 13 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.346 -0.060 18415 10021 1 13 . 1 1 139 139 TYR C C 139 177.587 177.587 178.352 -0.765 18415 10022 1 13 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.419 -1.274 18415 10023 1 13 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.992 -0.625 18415 10024 1 13 . 1 1 139 139 TYR H H 139 8.130 8.130 8.366 -0.236 18415 10025 1 13 . 1 1 140 140 PHE N N 140 120.508 120.508 121.012 -0.504 18415 10026 1 13 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.276 0.079 18415 10027 1 13 . 1 1 140 140 PHE C C 140 177.425 177.425 176.539 0.886 18415 10028 1 13 . 1 1 140 140 PHE CA C 140 59.630 59.630 61.017 -1.387 18415 10029 1 13 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.161 0.091 18415 10030 1 13 . 1 1 140 140 PHE H H 140 8.275 8.275 7.984 0.291 18415 10031 1 13 . 1 1 141 141 GLN N N 141 119.274 119.274 117.206 2.068 18415 10032 1 13 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.200 -0.087 18415 10033 1 13 . 1 1 141 141 GLN C C 141 176.976 176.976 175.730 1.246 18415 10034 1 13 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.136 1.227 18415 10035 1 13 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.347 -0.319 18415 10036 1 13 . 1 1 141 141 GLN H H 141 8.250 8.250 7.946 0.304 18415 10037 1 14 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.285 -0.498 18415 10038 1 14 . 1 1 2 2 VAL C C 2 172.250 172.250 173.884 -1.634 18415 10039 1 14 . 1 1 2 2 VAL CA C 2 61.294 61.294 59.834 1.460 18415 10040 1 14 . 1 1 2 2 VAL CB C 2 33.708 33.708 33.774 -0.066 18415 10041 1 14 . 1 1 3 3 CYS N N 3 121.988 121.988 121.681 0.307 18415 10042 1 14 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.567 0.638 18415 10043 1 14 . 1 1 3 3 CYS C C 3 171.993 171.993 173.360 -1.367 18415 10044 1 14 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.489 -4.445 18415 10045 1 14 . 1 1 3 3 CYS CB C 3 39.461 39.461 26.068 13.393 18415 10046 1 14 . 1 1 3 3 CYS H H 3 8.628 8.628 8.357 0.271 18415 10047 1 14 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.643 0.180 18415 10048 1 14 . 1 1 5 5 ILE C C 5 176.622 176.622 176.528 0.094 18415 10049 1 14 . 1 1 5 5 ILE CA C 5 63.300 63.300 64.289 -0.989 18415 10050 1 14 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.109 0.935 18415 10051 1 14 . 1 1 6 6 ASP N N 6 117.894 117.894 120.310 -2.416 18415 10052 1 14 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.850 -0.506 18415 10053 1 14 . 1 1 6 6 ASP H H 6 8.606 8.606 8.211 0.395 18415 10054 1 14 . 1 1 7 7 TRP N N 7 120.564 120.564 122.658 -2.094 18415 10055 1 14 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.636 0.054 18415 10056 1 14 . 1 1 7 7 TRP C C 7 176.415 176.415 176.255 0.160 18415 10057 1 14 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.195 -0.157 18415 10058 1 14 . 1 1 7 7 TRP CB C 7 28.771 28.771 28.499 0.272 18415 10059 1 14 . 1 1 7 7 TRP H H 7 8.208 8.208 8.052 0.156 18415 10060 1 14 . 1 1 8 8 ARG N N 8 119.872 119.872 124.976 -5.104 18415 10061 1 14 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.270 0.416 18415 10062 1 14 . 1 1 8 8 ARG C C 8 176.146 176.146 175.639 0.507 18415 10063 1 14 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.369 -0.428 18415 10064 1 14 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.504 2.059 18415 10065 1 14 . 1 1 8 8 ARG H H 8 9.456 9.456 9.061 0.395 18415 10066 1 14 . 1 1 9 9 ALA N N 9 127.265 127.265 129.203 -1.938 18415 10067 1 14 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.923 0.468 18415 10068 1 14 . 1 1 9 9 ALA C C 9 176.927 176.927 176.513 0.414 18415 10069 1 14 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.295 0.715 18415 10070 1 14 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.838 2.825 18415 10071 1 14 . 1 1 9 9 ALA H H 9 8.819 8.819 8.545 0.274 18415 10072 1 14 . 1 1 10 10 PHE N N 10 120.450 120.450 127.306 -6.856 18415 10073 1 14 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.754 -0.560 18415 10074 1 14 . 1 1 10 10 PHE C C 10 174.606 174.606 174.959 -0.353 18415 10075 1 14 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.505 1.021 18415 10076 1 14 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.377 -0.516 18415 10077 1 14 . 1 1 10 10 PHE H H 10 8.202 8.202 9.120 -0.918 18415 10078 1 14 . 1 1 11 11 GLN N N 11 126.391 126.391 124.544 1.847 18415 10079 1 14 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.602 -0.141 18415 10080 1 14 . 1 1 11 11 GLN C C 11 175.859 175.859 175.876 -0.017 18415 10081 1 14 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.901 -0.649 18415 10082 1 14 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.294 -1.332 18415 10083 1 14 . 1 1 11 11 GLN H H 11 8.872 8.872 8.791 0.081 18415 10084 1 14 . 1 1 12 12 SER N N 12 113.087 113.087 112.397 0.690 18415 10085 1 14 . 1 1 12 12 SER HA H 12 4.252 4.252 4.538 -0.286 18415 10086 1 14 . 1 1 12 12 SER C C 12 173.339 173.339 173.060 0.279 18415 10087 1 14 . 1 1 12 12 SER CA C 12 59.795 59.795 58.684 1.111 18415 10088 1 14 . 1 1 12 12 SER CB C 12 62.943 62.943 66.073 -3.130 18415 10089 1 14 . 1 1 12 12 SER H H 12 8.189 8.189 8.259 -0.070 18415 10090 1 14 . 1 1 13 13 ASN N N 13 118.336 118.336 121.180 -2.844 18415 10091 1 14 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.902 0.354 18415 10092 1 14 . 1 1 13 13 ASN C C 13 174.330 174.330 173.342 0.988 18415 10093 1 14 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.335 0.007 18415 10094 1 14 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.613 2.845 18415 10095 1 14 . 1 1 13 13 ASN H H 13 8.242 8.242 8.032 0.210 18415 10096 1 14 . 1 1 14 14 CYS N N 14 118.315 118.315 118.144 0.171 18415 10097 1 14 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.468 0.393 18415 10098 1 14 . 1 1 14 14 CYS C C 14 174.314 174.314 173.478 0.836 18415 10099 1 14 . 1 1 14 14 CYS CA C 14 53.685 53.685 57.902 -4.217 18415 10100 1 14 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.788 14.231 18415 10101 1 14 . 1 1 14 14 CYS H H 14 8.592 8.592 8.771 -0.179 18415 10102 1 14 . 1 1 15 15 TYR N N 15 121.588 121.588 121.659 -0.071 18415 10103 1 14 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.549 0.228 18415 10104 1 14 . 1 1 15 15 TYR C C 15 176.333 176.333 174.248 2.085 18415 10105 1 14 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.566 2.050 18415 10106 1 14 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.401 3.182 18415 10107 1 14 . 1 1 15 15 TYR H H 15 9.947 9.947 9.094 0.853 18415 10108 1 14 . 1 1 16 16 PHE N N 16 121.989 121.989 122.534 -0.545 18415 10109 1 14 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.752 0.159 18415 10110 1 14 . 1 1 16 16 PHE C C 16 172.937 172.937 172.776 0.161 18415 10111 1 14 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.428 -0.030 18415 10112 1 14 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.260 -2.190 18415 10113 1 14 . 1 1 16 16 PHE H H 16 8.717 8.717 9.213 -0.496 18415 10114 1 14 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.742 0.374 18415 10115 1 14 . 1 1 17 17 PRO C C 17 175.445 175.445 175.046 0.399 18415 10116 1 14 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.607 -0.119 18415 10117 1 14 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.093 -0.102 18415 10118 1 14 . 1 1 18 18 LEU N N 18 126.062 126.062 126.044 0.018 18415 10119 1 14 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.524 0.157 18415 10120 1 14 . 1 1 18 18 LEU C C 18 177.391 177.391 177.231 0.160 18415 10121 1 14 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.210 1.150 18415 10122 1 14 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.309 1.173 18415 10123 1 14 . 1 1 18 18 LEU H H 18 9.054 9.054 9.125 -0.071 18415 10124 1 14 . 1 1 19 19 THR N N 19 109.256 109.256 112.042 -2.786 18415 10125 1 14 . 1 1 19 19 THR HA H 19 4.612 4.612 4.378 0.234 18415 10126 1 14 . 1 1 19 19 THR C C 19 175.613 175.613 173.777 1.836 18415 10127 1 14 . 1 1 19 19 THR CA C 19 62.236 62.236 60.796 1.440 18415 10128 1 14 . 1 1 19 19 THR CB C 19 69.530 69.530 68.768 0.762 18415 10129 1 14 . 1 1 19 19 THR H H 19 8.303 8.303 8.575 -0.272 18415 10130 1 14 . 1 1 20 20 ASP N N 20 121.645 121.645 120.817 0.828 18415 10131 1 14 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.598 -0.141 18415 10132 1 14 . 1 1 20 20 ASP C C 20 174.684 174.684 175.376 -0.692 18415 10133 1 14 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.030 0.088 18415 10134 1 14 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.837 -1.768 18415 10135 1 14 . 1 1 20 20 ASP H H 20 8.834 8.834 7.870 0.964 18415 10136 1 14 . 1 1 21 21 ASN N N 21 118.648 118.648 119.909 -1.261 18415 10137 1 14 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.435 0.211 18415 10138 1 14 . 1 1 21 21 ASN C C 21 176.542 176.542 174.668 1.874 18415 10139 1 14 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.842 -1.390 18415 10140 1 14 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.649 0.804 18415 10141 1 14 . 1 1 21 21 ASN H H 21 8.113 8.113 8.609 -0.496 18415 10142 1 14 . 1 1 22 22 LYS N N 22 122.470 122.470 126.239 -3.769 18415 10143 1 14 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.647 0.209 18415 10144 1 14 . 1 1 22 22 LYS C C 22 176.711 176.711 175.326 1.385 18415 10145 1 14 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.671 0.994 18415 10146 1 14 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.291 3.248 18415 10147 1 14 . 1 1 22 22 LYS H H 22 8.794 8.794 8.402 0.392 18415 10148 1 14 . 1 1 23 23 THR N N 23 109.009 109.009 118.027 -9.018 18415 10149 1 14 . 1 1 23 23 THR HA H 23 5.647 5.647 5.086 0.561 18415 10150 1 14 . 1 1 23 23 THR C C 23 178.411 178.411 175.771 2.640 18415 10151 1 14 . 1 1 23 23 THR CA C 23 61.773 61.773 60.838 0.935 18415 10152 1 14 . 1 1 23 23 THR CB C 23 71.820 71.820 70.099 1.721 18415 10153 1 14 . 1 1 23 23 THR H H 23 8.250 8.250 8.221 0.029 18415 10154 1 14 . 1 1 24 24 TRP N N 24 126.345 126.345 126.661 -0.316 18415 10155 1 14 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.837 -0.807 18415 10156 1 14 . 1 1 24 24 TRP C C 24 178.204 178.204 176.727 1.477 18415 10157 1 14 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.361 2.220 18415 10158 1 14 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.134 1.520 18415 10159 1 14 . 1 1 24 24 TRP H H 24 8.279 8.279 7.963 0.316 18415 10160 1 14 . 1 1 25 25 ALA N N 25 119.965 119.965 119.771 0.194 18415 10161 1 14 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.047 -0.099 18415 10162 1 14 . 1 1 25 25 ALA C C 25 182.089 182.089 179.783 2.306 18415 10163 1 14 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.404 0.486 18415 10164 1 14 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.278 -0.023 18415 10165 1 14 . 1 1 25 25 ALA H H 25 9.634 9.634 8.393 1.241 18415 10166 1 14 . 1 1 26 26 GLU N N 26 116.492 116.492 118.565 -2.073 18415 10167 1 14 . 1 1 26 26 GLU HA H 26 4.063 4.063 4.001 0.062 18415 10168 1 14 . 1 1 26 26 GLU C C 26 179.756 179.756 179.095 0.661 18415 10169 1 14 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.906 -0.611 18415 10170 1 14 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.531 0.952 18415 10171 1 14 . 1 1 26 26 GLU H H 26 7.392 7.392 7.795 -0.403 18415 10172 1 14 . 1 1 27 27 SER N N 27 121.197 121.197 116.602 4.595 18415 10173 1 14 . 1 1 27 27 SER HA H 27 3.855 3.855 4.077 -0.222 18415 10174 1 14 . 1 1 27 27 SER C C 27 174.299 174.299 176.372 -2.073 18415 10175 1 14 . 1 1 27 27 SER CA C 27 63.344 63.344 62.709 0.635 18415 10176 1 14 . 1 1 27 27 SER CB C 27 62.329 62.329 62.840 -0.511 18415 10177 1 14 . 1 1 27 27 SER H H 27 8.596 8.596 8.490 0.106 18415 10178 1 14 . 1 1 28 28 GLU N N 28 124.173 124.173 120.294 3.879 18415 10179 1 14 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.054 0.213 18415 10180 1 14 . 1 1 28 28 GLU C C 28 178.856 178.856 177.379 1.477 18415 10181 1 14 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.282 0.917 18415 10182 1 14 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.252 -2.352 18415 10183 1 14 . 1 1 28 28 GLU H H 28 8.133 8.133 7.627 0.506 18415 10184 1 14 . 1 1 29 29 ARG N N 29 120.498 120.498 118.373 2.125 18415 10185 1 14 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.101 -0.058 18415 10186 1 14 . 1 1 29 29 ARG C C 29 179.339 179.339 177.457 1.882 18415 10187 1 14 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.846 0.845 18415 10188 1 14 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.234 0.001 18415 10189 1 14 . 1 1 29 29 ARG H H 29 7.962 7.962 7.573 0.389 18415 10190 1 14 . 1 1 30 30 ASN N N 30 119.000 119.000 115.612 3.388 18415 10191 1 14 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.706 -0.259 18415 10192 1 14 . 1 1 30 30 ASN C C 30 178.153 178.153 175.852 2.301 18415 10193 1 14 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.821 2.829 18415 10194 1 14 . 1 1 30 30 ASN CB C 30 40.436 40.436 40.034 0.402 18415 10195 1 14 . 1 1 30 30 ASN H H 30 7.960 7.960 7.965 -0.005 18415 10196 1 14 . 1 1 31 31 CYS N N 31 116.301 116.301 117.276 -0.975 18415 10197 1 14 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.800 -0.319 18415 10198 1 14 . 1 1 31 31 CYS C C 31 178.072 178.072 176.142 1.930 18415 10199 1 14 . 1 1 31 31 CYS CA C 31 56.410 56.410 58.171 -1.761 18415 10200 1 14 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.113 6.596 18415 10201 1 14 . 1 1 31 31 CYS H H 31 8.477 8.477 8.147 0.330 18415 10202 1 14 . 1 1 32 32 SER N N 32 119.834 119.834 115.844 3.990 18415 10203 1 14 . 1 1 32 32 SER HA H 32 4.700 4.700 4.196 0.504 18415 10204 1 14 . 1 1 32 32 SER C C 32 179.062 179.062 176.737 2.325 18415 10205 1 14 . 1 1 32 32 SER CA C 32 61.663 61.663 60.830 0.833 18415 10206 1 14 . 1 1 32 32 SER CB C 32 62.655 62.655 62.406 0.249 18415 10207 1 14 . 1 1 32 32 SER H H 32 9.206 9.206 8.931 0.275 18415 10208 1 14 . 1 1 33 33 GLY N N 33 111.632 111.632 109.906 1.726 18415 10209 1 14 . 1 1 33 33 GLY C C 33 174.861 174.861 175.281 -0.420 18415 10210 1 14 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.382 -0.715 18415 10211 1 14 . 1 1 33 33 GLY H H 33 8.053 8.053 8.332 -0.279 18415 10212 1 14 . 1 1 34 34 MET N N 34 116.998 116.998 119.099 -2.101 18415 10213 1 14 . 1 1 34 34 MET HA H 34 4.596 4.596 4.513 0.083 18415 10214 1 14 . 1 1 34 34 MET C C 34 175.356 175.356 175.870 -0.514 18415 10215 1 14 . 1 1 34 34 MET CA C 34 54.887 54.887 54.454 0.433 18415 10216 1 14 . 1 1 34 34 MET CB C 34 33.959 33.959 32.642 1.317 18415 10217 1 14 . 1 1 34 34 MET H H 34 7.441 7.441 7.453 -0.012 18415 10218 1 14 . 1 1 35 35 GLY N N 35 106.474 106.474 106.931 -0.457 18415 10219 1 14 . 1 1 35 35 GLY C C 35 173.112 173.112 172.725 0.387 18415 10220 1 14 . 1 1 35 35 GLY CA C 35 45.401 45.401 44.985 0.416 18415 10221 1 14 . 1 1 35 35 GLY H H 35 7.807 7.807 7.934 -0.127 18415 10222 1 14 . 1 1 36 36 ALA N N 36 121.833 121.833 120.660 1.173 18415 10223 1 14 . 1 1 36 36 ALA HA H 36 4.702 4.702 5.114 -0.412 18415 10224 1 14 . 1 1 36 36 ALA C C 36 174.285 174.285 175.141 -0.856 18415 10225 1 14 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.952 -1.231 18415 10226 1 14 . 1 1 36 36 ALA CB C 36 24.662 24.662 22.145 2.517 18415 10227 1 14 . 1 1 36 36 ALA H H 36 7.693 7.693 7.100 0.593 18415 10228 1 14 . 1 1 37 37 HIS N N 37 111.683 111.683 114.358 -2.675 18415 10229 1 14 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.568 -0.437 18415 10230 1 14 . 1 1 37 37 HIS C C 37 175.351 175.351 174.386 0.965 18415 10231 1 14 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.069 -0.496 18415 10232 1 14 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.682 0.289 18415 10233 1 14 . 1 1 37 37 HIS H H 37 8.078 8.078 8.463 -0.385 18415 10234 1 14 . 1 1 38 38 LEU N N 38 123.260 123.260 121.522 1.738 18415 10235 1 14 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.584 0.189 18415 10236 1 14 . 1 1 38 38 LEU C C 38 179.180 179.180 178.345 0.835 18415 10237 1 14 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.767 0.599 18415 10238 1 14 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.864 0.792 18415 10239 1 14 . 1 1 38 38 LEU H H 38 9.964 9.964 9.295 0.669 18415 10240 1 14 . 1 1 39 39 MET N N 39 119.511 119.511 121.372 -1.861 18415 10241 1 14 . 1 1 39 39 MET HA H 39 3.855 3.855 4.422 -0.567 18415 10242 1 14 . 1 1 39 39 MET C C 39 174.874 174.874 176.001 -1.127 18415 10243 1 14 . 1 1 39 39 MET CA C 39 58.789 58.789 55.627 3.162 18415 10244 1 14 . 1 1 39 39 MET CB C 39 34.405 34.405 30.087 4.318 18415 10245 1 14 . 1 1 39 39 MET H H 39 8.409 8.409 8.455 -0.046 18415 10246 1 14 . 1 1 40 40 THR N N 40 123.771 123.771 117.345 6.426 18415 10247 1 14 . 1 1 40 40 THR HA H 40 4.013 4.013 4.227 -0.214 18415 10248 1 14 . 1 1 40 40 THR C C 40 172.936 172.936 173.364 -0.428 18415 10249 1 14 . 1 1 40 40 THR CA C 40 59.869 59.869 59.790 0.079 18415 10250 1 14 . 1 1 40 40 THR CB C 40 70.587 70.587 68.211 2.376 18415 10251 1 14 . 1 1 40 40 THR H H 40 6.822 6.822 8.303 -1.481 18415 10252 1 14 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.077 0.172 18415 10253 1 14 . 1 1 41 41 ILE C C 41 174.349 174.349 175.035 -0.686 18415 10254 1 14 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.305 -2.548 18415 10255 1 14 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.802 0.769 18415 10256 1 14 . 1 1 42 42 SER N N 42 122.113 122.113 120.783 1.330 18415 10257 1 14 . 1 1 42 42 SER HA H 42 4.647 4.647 4.780 -0.133 18415 10258 1 14 . 1 1 42 42 SER C C 42 174.502 174.502 174.372 0.130 18415 10259 1 14 . 1 1 42 42 SER CA C 42 59.768 59.768 58.902 0.866 18415 10260 1 14 . 1 1 42 42 SER CB C 42 64.720 64.720 65.466 -0.746 18415 10261 1 14 . 1 1 42 42 SER H H 42 9.230 9.230 9.785 -0.555 18415 10262 1 14 . 1 1 43 43 THR N N 43 108.516 108.516 112.968 -4.452 18415 10263 1 14 . 1 1 43 43 THR HA H 43 4.807 4.807 4.813 -0.006 18415 10264 1 14 . 1 1 43 43 THR C C 43 173.812 173.812 174.405 -0.593 18415 10265 1 14 . 1 1 43 43 THR CA C 43 59.249 59.249 60.097 -0.848 18415 10266 1 14 . 1 1 43 43 THR CB C 43 73.128 73.128 72.015 1.113 18415 10267 1 14 . 1 1 43 43 THR H H 43 7.559 7.559 8.196 -0.637 18415 10268 1 14 . 1 1 44 44 GLU N N 44 123.057 123.057 123.120 -0.063 18415 10269 1 14 . 1 1 44 44 GLU HA H 44 3.449 3.449 3.936 -0.487 18415 10270 1 14 . 1 1 44 44 GLU C C 44 178.262 178.262 177.833 0.429 18415 10271 1 14 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.773 -0.444 18415 10272 1 14 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.624 0.818 18415 10273 1 14 . 1 1 44 44 GLU H H 44 9.377 9.377 9.151 0.226 18415 10274 1 14 . 1 1 45 45 ALA N N 45 119.910 119.910 122.289 -2.379 18415 10275 1 14 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.347 -0.297 18415 10276 1 14 . 1 1 45 45 ALA C C 45 180.096 180.096 179.573 0.523 18415 10277 1 14 . 1 1 45 45 ALA CA C 45 55.180 55.180 54.907 0.273 18415 10278 1 14 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.045 0.222 18415 10279 1 14 . 1 1 45 45 ALA H H 45 8.328 8.328 8.500 -0.172 18415 10280 1 14 . 1 1 46 46 GLU N N 46 118.861 118.861 119.653 -0.792 18415 10281 1 14 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.679 -0.067 18415 10282 1 14 . 1 1 46 46 GLU C C 46 177.452 177.452 178.370 -0.918 18415 10283 1 14 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.593 -0.309 18415 10284 1 14 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.384 1.129 18415 10285 1 14 . 1 1 46 46 GLU H H 46 7.852 7.852 7.843 0.009 18415 10286 1 14 . 1 1 47 47 GLN N N 47 119.473 119.473 118.651 0.822 18415 10287 1 14 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.913 -0.226 18415 10288 1 14 . 1 1 47 47 GLN C C 47 176.429 176.429 178.290 -1.861 18415 10289 1 14 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.927 0.981 18415 10290 1 14 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.684 1.292 18415 10291 1 14 . 1 1 47 47 GLN H H 47 7.054 7.054 7.784 -0.730 18415 10292 1 14 . 1 1 48 48 ASN N N 48 115.182 115.182 118.307 -3.125 18415 10293 1 14 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.292 -0.079 18415 10294 1 14 . 1 1 48 48 ASN C C 48 176.986 176.986 177.256 -0.270 18415 10295 1 14 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.452 -0.423 18415 10296 1 14 . 1 1 48 48 ASN CB C 48 37.558 37.558 37.826 -0.268 18415 10297 1 14 . 1 1 48 48 ASN H H 48 8.416 8.416 8.300 0.116 18415 10298 1 14 . 1 1 49 49 PHE N N 49 118.413 118.413 117.779 0.634 18415 10299 1 14 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.172 -0.193 18415 10300 1 14 . 1 1 49 49 PHE C C 49 177.254 177.254 177.456 -0.202 18415 10301 1 14 . 1 1 49 49 PHE CA C 49 60.162 60.162 61.197 -1.035 18415 10302 1 14 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.167 -1.085 18415 10303 1 14 . 1 1 49 49 PHE H H 49 7.473 7.473 8.081 -0.608 18415 10304 1 14 . 1 1 50 50 ILE N N 50 117.601 117.601 121.165 -3.564 18415 10305 1 14 . 1 1 50 50 ILE HA H 50 3.541 3.541 4.018 -0.477 18415 10306 1 14 . 1 1 50 50 ILE C C 50 176.891 176.891 177.012 -0.121 18415 10307 1 14 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.233 -2.581 18415 10308 1 14 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.223 0.986 18415 10309 1 14 . 1 1 50 50 ILE H H 50 7.020 7.020 7.538 -0.518 18415 10310 1 14 . 1 1 51 51 ILE N N 51 114.824 114.824 116.644 -1.820 18415 10311 1 14 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.054 -0.161 18415 10312 1 14 . 1 1 51 51 ILE C C 51 177.092 177.092 175.851 1.241 18415 10313 1 14 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.081 1.123 18415 10314 1 14 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.250 0.670 18415 10315 1 14 . 1 1 51 51 ILE H H 51 7.216 7.216 7.373 -0.157 18415 10316 1 14 . 1 1 52 52 GLN N N 52 116.767 116.767 117.301 -0.534 18415 10317 1 14 . 1 1 52 52 GLN HA H 52 3.770 3.770 4.018 -0.247 18415 10318 1 14 . 1 1 52 52 GLN C C 52 176.442 176.442 176.254 0.188 18415 10319 1 14 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.176 0.094 18415 10320 1 14 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.580 0.440 18415 10321 1 14 . 1 1 52 52 GLN H H 52 6.416 6.416 7.248 -0.832 18415 10322 1 14 . 1 1 53 53 PHE N N 53 115.400 115.400 118.183 -2.783 18415 10323 1 14 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.436 0.141 18415 10324 1 14 . 1 1 53 53 PHE C C 53 174.993 174.993 175.903 -0.910 18415 10325 1 14 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.271 -2.376 18415 10326 1 14 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.100 -0.567 18415 10327 1 14 . 1 1 53 53 PHE H H 53 7.216 7.216 7.339 -0.123 18415 10328 1 14 . 1 1 54 54 LEU N N 54 118.096 118.096 119.706 -1.610 18415 10329 1 14 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.925 0.166 18415 10330 1 14 . 1 1 54 54 LEU C C 54 175.467 175.467 176.436 -0.969 18415 10331 1 14 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.186 -0.615 18415 10332 1 14 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.715 -0.008 18415 10333 1 14 . 1 1 54 54 LEU H H 54 6.668 6.668 7.150 -0.482 18415 10334 1 14 . 1 1 55 55 ASP N N 55 123.723 123.723 121.864 1.859 18415 10335 1 14 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.778 0.037 18415 10336 1 14 . 1 1 55 55 ASP C C 55 177.896 177.896 177.125 0.771 18415 10337 1 14 . 1 1 55 55 ASP CA C 55 53.098 53.098 53.758 -0.660 18415 10338 1 14 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.791 -0.129 18415 10339 1 14 . 1 1 55 55 ASP H H 55 8.687 8.687 8.846 -0.159 18415 10340 1 14 . 1 1 56 56 ARG N N 56 124.370 124.370 124.911 -0.541 18415 10341 1 14 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.988 0.322 18415 10342 1 14 . 1 1 56 56 ARG C C 56 178.201 178.201 175.364 2.837 18415 10343 1 14 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.297 2.661 18415 10344 1 14 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.383 2.195 18415 10345 1 14 . 1 1 56 56 ARG H H 56 8.758 8.758 8.663 0.095 18415 10346 1 14 . 1 1 57 57 ARG N N 57 120.411 120.411 113.921 6.490 18415 10347 1 14 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.435 -0.141 18415 10348 1 14 . 1 1 57 57 ARG C C 57 177.064 177.064 175.155 1.909 18415 10349 1 14 . 1 1 57 57 ARG CA C 57 57.532 57.532 54.605 2.926 18415 10350 1 14 . 1 1 57 57 ARG CB C 57 30.692 30.692 30.931 -0.239 18415 10351 1 14 . 1 1 57 57 ARG H H 57 9.150 9.150 7.428 1.722 18415 10352 1 14 . 1 1 58 58 LEU N N 58 119.445 119.445 122.745 -3.300 18415 10353 1 14 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.460 0.244 18415 10354 1 14 . 1 1 58 58 LEU C C 58 176.450 176.450 175.554 0.896 18415 10355 1 14 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.840 0.439 18415 10356 1 14 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.942 -0.684 18415 10357 1 14 . 1 1 58 58 LEU H H 58 8.328 8.328 7.995 0.333 18415 10358 1 14 . 1 1 59 59 SER N N 59 116.536 116.536 116.139 0.397 18415 10359 1 14 . 1 1 59 59 SER HA H 59 5.505 5.505 4.941 0.564 18415 10360 1 14 . 1 1 59 59 SER C C 59 173.263 173.263 173.056 0.207 18415 10361 1 14 . 1 1 59 59 SER CA C 59 57.199 57.199 56.875 0.324 18415 10362 1 14 . 1 1 59 59 SER CB C 59 65.064 65.064 63.529 1.536 18415 10363 1 14 . 1 1 59 59 SER H H 59 8.470 8.470 8.480 -0.010 18415 10364 1 14 . 1 1 60 60 TYR N N 60 120.274 120.274 123.891 -3.617 18415 10365 1 14 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.784 -0.507 18415 10366 1 14 . 1 1 60 60 TYR C C 60 175.560 175.560 175.419 0.141 18415 10367 1 14 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.563 -0.091 18415 10368 1 14 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.410 2.097 18415 10369 1 14 . 1 1 60 60 TYR H H 60 8.897 8.897 9.091 -0.194 18415 10370 1 14 . 1 1 61 61 PHE N N 61 123.635 123.635 121.942 1.693 18415 10371 1 14 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.802 0.486 18415 10372 1 14 . 1 1 61 61 PHE C C 61 175.433 175.433 175.804 -0.371 18415 10373 1 14 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.189 0.886 18415 10374 1 14 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.346 1.522 18415 10375 1 14 . 1 1 61 61 PHE H H 61 9.521 9.521 8.668 0.853 18415 10376 1 14 . 1 1 62 62 LEU N N 62 114.382 114.382 120.661 -6.279 18415 10377 1 14 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.811 0.262 18415 10378 1 14 . 1 1 62 62 LEU C C 62 179.521 179.521 177.939 1.582 18415 10379 1 14 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.555 -1.772 18415 10380 1 14 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.069 2.207 18415 10381 1 14 . 1 1 62 62 LEU H H 62 8.394 8.394 9.278 -0.884 18415 10382 1 14 . 1 1 63 63 GLY N N 63 106.675 106.675 109.852 -3.177 18415 10383 1 14 . 1 1 63 63 GLY C C 63 172.404 172.404 172.955 -0.551 18415 10384 1 14 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.834 2.558 18415 10385 1 14 . 1 1 63 63 GLY H H 63 9.253 9.253 9.231 0.022 18415 10386 1 14 . 1 1 64 64 LEU N N 64 124.754 124.754 123.108 1.646 18415 10387 1 14 . 1 1 64 64 LEU HA H 64 4.584 4.584 5.157 -0.573 18415 10388 1 14 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.903 0.399 18415 10389 1 14 . 1 1 64 64 LEU CB C 64 43.272 43.272 45.260 -1.988 18415 10390 1 14 . 1 1 64 64 LEU H H 64 6.840 6.840 8.231 -1.391 18415 10391 1 14 . 1 1 65 65 ARG N N 65 124.476 124.476 124.207 0.269 18415 10392 1 14 . 1 1 65 65 ARG HA H 65 5.160 5.160 5.080 0.080 18415 10393 1 14 . 1 1 65 65 ARG C C 65 174.245 174.245 173.640 0.605 18415 10394 1 14 . 1 1 65 65 ARG CA C 65 54.904 54.904 53.491 1.413 18415 10395 1 14 . 1 1 65 65 ARG CB C 65 34.531 34.531 34.086 0.445 18415 10396 1 14 . 1 1 65 65 ARG H H 65 8.218 8.218 9.142 -0.924 18415 10397 1 14 . 1 1 66 66 ASP N N 66 126.754 126.754 120.055 6.699 18415 10398 1 14 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.544 -0.115 18415 10399 1 14 . 1 1 66 66 ASP C C 66 176.516 176.516 174.255 2.261 18415 10400 1 14 . 1 1 66 66 ASP CA C 66 51.854 51.854 51.651 0.203 18415 10401 1 14 . 1 1 66 66 ASP CB C 66 39.768 39.768 44.035 -4.267 18415 10402 1 14 . 1 1 66 66 ASP H H 66 8.756 8.756 8.246 0.510 18415 10403 1 14 . 1 1 67 67 GLU N N 67 123.390 123.390 123.515 -0.125 18415 10404 1 14 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.378 -0.602 18415 10405 1 14 . 1 1 67 67 GLU C C 67 175.648 175.648 176.110 -0.462 18415 10406 1 14 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.245 3.603 18415 10407 1 14 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.372 -0.056 18415 10408 1 14 . 1 1 67 67 GLU H H 67 8.488 8.488 8.448 0.040 18415 10409 1 14 . 1 1 68 68 ASN N N 68 114.882 114.882 123.001 -8.119 18415 10410 1 14 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.172 0.492 18415 10411 1 14 . 1 1 68 68 ASN C C 68 174.482 174.482 174.119 0.363 18415 10412 1 14 . 1 1 68 68 ASN CA C 68 52.914 52.914 56.071 -3.157 18415 10413 1 14 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.935 1.477 18415 10414 1 14 . 1 1 68 68 ASN H H 68 8.336 8.336 8.808 -0.472 18415 10415 1 14 . 1 1 69 69 ALA N N 69 118.915 118.915 121.242 -2.327 18415 10416 1 14 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.413 -0.539 18415 10417 1 14 . 1 1 69 69 ALA C C 69 177.082 177.082 175.792 1.290 18415 10418 1 14 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.312 1.320 18415 10419 1 14 . 1 1 69 69 ALA CB C 69 17.171 17.171 18.728 -1.557 18415 10420 1 14 . 1 1 69 69 ALA H H 69 7.444 7.444 8.110 -0.666 18415 10421 1 14 . 1 1 70 70 LYS N N 70 117.439 117.439 121.637 -4.198 18415 10422 1 14 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.339 -0.021 18415 10423 1 14 . 1 1 70 70 LYS C C 70 177.726 177.726 177.597 0.129 18415 10424 1 14 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.596 -1.173 18415 10425 1 14 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.376 -0.640 18415 10426 1 14 . 1 1 70 70 LYS H H 70 7.925 7.925 9.351 -1.426 18415 10427 1 14 . 1 1 71 71 GLY C C 71 175.127 175.127 173.744 1.383 18415 10428 1 14 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.109 0.565 18415 10429 1 14 . 1 1 72 72 GLN N N 72 124.084 124.084 120.252 3.832 18415 10430 1 14 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.603 -0.212 18415 10431 1 14 . 1 1 72 72 GLN C C 72 174.283 174.283 175.083 -0.800 18415 10432 1 14 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.470 -0.313 18415 10433 1 14 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.542 -0.909 18415 10434 1 14 . 1 1 72 72 GLN H H 72 7.749 7.749 7.873 -0.124 18415 10435 1 14 . 1 1 73 73 TRP N N 73 121.803 121.803 125.887 -4.084 18415 10436 1 14 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.679 -0.774 18415 10437 1 14 . 1 1 73 73 TRP C C 73 175.776 175.776 176.441 -0.665 18415 10438 1 14 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.339 -0.518 18415 10439 1 14 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.848 -0.972 18415 10440 1 14 . 1 1 73 73 TRP H H 73 6.599 6.599 8.686 -2.087 18415 10441 1 14 . 1 1 74 74 ARG N N 74 119.549 119.549 117.396 2.153 18415 10442 1 14 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.836 -0.130 18415 10443 1 14 . 1 1 74 74 ARG C C 74 176.980 176.980 175.636 1.344 18415 10444 1 14 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.145 -0.812 18415 10445 1 14 . 1 1 74 74 ARG CB C 74 34.623 34.623 33.131 1.492 18415 10446 1 14 . 1 1 74 74 ARG H H 74 8.443 8.443 8.825 -0.382 18415 10447 1 14 . 1 1 75 75 TRP N N 75 125.690 125.690 122.883 2.807 18415 10448 1 14 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.348 0.079 18415 10449 1 14 . 1 1 75 75 TRP C C 75 180.474 180.474 178.566 1.908 18415 10450 1 14 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.630 -1.864 18415 10451 1 14 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.162 0.868 18415 10452 1 14 . 1 1 75 75 TRP H H 75 9.052 9.052 9.445 -0.393 18415 10453 1 14 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.030 0.248 18415 10454 1 14 . 1 1 76 76 VAL C C 76 175.431 175.431 174.648 0.783 18415 10455 1 14 . 1 1 76 76 VAL CA C 76 64.564 64.564 63.514 1.050 18415 10456 1 14 . 1 1 76 76 VAL CB C 76 32.369 32.369 31.745 0.624 18415 10457 1 14 . 1 1 77 77 ASP N N 77 119.941 119.941 114.914 5.027 18415 10458 1 14 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.717 -0.739 18415 10459 1 14 . 1 1 77 77 ASP C C 77 176.293 176.293 176.353 -0.060 18415 10460 1 14 . 1 1 77 77 ASP CA C 77 52.759 52.759 52.511 0.248 18415 10461 1 14 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.187 0.223 18415 10462 1 14 . 1 1 77 77 ASP H H 77 8.004 8.004 8.220 -0.216 18415 10463 1 14 . 1 1 78 78 GLN N N 78 109.962 109.962 116.769 -6.807 18415 10464 1 14 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.054 0.071 18415 10465 1 14 . 1 1 78 78 GLN C C 78 176.387 176.387 175.369 1.018 18415 10466 1 14 . 1 1 78 78 GLN CA C 78 57.792 57.792 57.762 0.030 18415 10467 1 14 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.312 -1.211 18415 10468 1 14 . 1 1 78 78 GLN H H 78 8.124 8.124 7.911 0.213 18415 10469 1 14 . 1 1 79 79 THR N N 79 121.656 121.656 120.112 1.544 18415 10470 1 14 . 1 1 79 79 THR HA H 79 4.250 4.250 4.575 -0.325 18415 10471 1 14 . 1 1 79 79 THR C C 79 172.901 172.901 173.226 -0.325 18415 10472 1 14 . 1 1 79 79 THR CA C 79 63.165 63.165 63.450 -0.285 18415 10473 1 14 . 1 1 79 79 THR CB C 79 69.427 69.427 68.829 0.598 18415 10474 1 14 . 1 1 79 79 THR H H 79 8.172 8.172 8.045 0.127 18415 10475 1 14 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.512 0.010 18415 10476 1 14 . 1 1 80 80 PRO C C 80 176.940 176.940 176.353 0.587 18415 10477 1 14 . 1 1 80 80 PRO CA C 80 63.688 63.688 63.232 0.456 18415 10478 1 14 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.383 -0.196 18415 10479 1 14 . 1 1 81 81 PHE N N 81 125.403 125.403 123.200 2.203 18415 10480 1 14 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.355 0.554 18415 10481 1 14 . 1 1 81 81 PHE C C 81 174.853 174.853 175.282 -0.429 18415 10482 1 14 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.097 -0.744 18415 10483 1 14 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.965 0.054 18415 10484 1 14 . 1 1 81 81 PHE H H 81 9.015 9.015 8.077 0.938 18415 10485 1 14 . 1 1 82 82 ASN N N 82 129.264 129.264 125.989 3.275 18415 10486 1 14 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.775 0.280 18415 10487 1 14 . 1 1 82 82 ASN C C 82 173.643 173.643 173.386 0.257 18415 10488 1 14 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.902 -2.099 18415 10489 1 14 . 1 1 82 82 ASN CB C 82 39.495 39.495 37.896 1.599 18415 10490 1 14 . 1 1 82 82 ASN H H 82 8.985 8.985 8.400 0.585 18415 10491 1 14 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.069 -0.066 18415 10492 1 14 . 1 1 83 83 PRO C C 83 177.123 177.123 177.357 -0.234 18415 10493 1 14 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.788 -1.003 18415 10494 1 14 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.855 0.659 18415 10495 1 14 . 1 1 84 84 ARG N N 84 114.801 114.801 116.966 -2.165 18415 10496 1 14 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.242 0.081 18415 10497 1 14 . 1 1 84 84 ARG C C 84 176.890 176.890 175.777 1.113 18415 10498 1 14 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.642 -0.639 18415 10499 1 14 . 1 1 84 84 ARG CB C 84 30.158 30.158 28.904 1.254 18415 10500 1 14 . 1 1 84 84 ARG H H 84 7.697 7.697 8.260 -0.563 18415 10501 1 14 . 1 1 85 85 ARG N N 85 123.958 123.958 119.083 4.875 18415 10502 1 14 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.117 0.188 18415 10503 1 14 . 1 1 85 85 ARG C C 85 173.017 173.017 174.158 -1.141 18415 10504 1 14 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.949 -1.140 18415 10505 1 14 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.723 -0.683 18415 10506 1 14 . 1 1 85 85 ARG H H 85 7.596 7.596 7.306 0.290 18415 10507 1 14 . 1 1 86 86 VAL N N 86 110.039 110.039 119.274 -9.235 18415 10508 1 14 . 1 1 86 86 VAL HA H 86 3.799 3.799 2.822 0.977 18415 10509 1 14 . 1 1 86 86 VAL CA C 86 58.266 58.266 59.322 -1.056 18415 10510 1 14 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.903 1.323 18415 10511 1 14 . 1 1 86 86 VAL H H 86 6.570 6.570 6.862 -0.292 18415 10512 1 14 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.563 -0.241 18415 10513 1 14 . 1 1 87 87 PHE C C 87 173.471 173.471 174.539 -1.068 18415 10514 1 14 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.417 -0.040 18415 10515 1 14 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.646 -1.262 18415 10516 1 14 . 1 1 88 88 TRP N N 88 118.538 118.538 122.520 -3.982 18415 10517 1 14 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.917 -0.115 18415 10518 1 14 . 1 1 88 88 TRP C C 88 179.297 179.297 177.434 1.863 18415 10519 1 14 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.899 -0.662 18415 10520 1 14 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.490 1.060 18415 10521 1 14 . 1 1 88 88 TRP H H 88 6.633 6.633 7.989 -1.356 18415 10522 1 14 . 1 1 89 89 HIS N N 89 122.693 122.693 117.482 5.211 18415 10523 1 14 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.477 -0.106 18415 10524 1 14 . 1 1 89 89 HIS C C 89 175.621 175.621 177.078 -1.457 18415 10525 1 14 . 1 1 89 89 HIS CA C 89 58.121 58.121 60.266 -2.145 18415 10526 1 14 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.433 1.279 18415 10527 1 14 . 1 1 89 89 HIS H H 89 9.473 9.473 9.705 -0.232 18415 10528 1 14 . 1 1 90 90 LYS N N 90 120.826 120.826 118.403 2.423 18415 10529 1 14 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.426 -0.315 18415 10530 1 14 . 1 1 90 90 LYS C C 90 177.228 177.228 175.538 1.690 18415 10531 1 14 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.558 0.684 18415 10532 1 14 . 1 1 90 90 LYS CB C 90 32.482 32.482 34.032 -1.550 18415 10533 1 14 . 1 1 90 90 LYS H H 90 8.741 8.741 9.134 -0.393 18415 10534 1 14 . 1 1 91 91 ASN N N 91 117.166 117.166 115.639 1.527 18415 10535 1 14 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.658 -0.342 18415 10536 1 14 . 1 1 91 91 ASN C C 91 173.391 173.391 174.117 -0.726 18415 10537 1 14 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.211 2.124 18415 10538 1 14 . 1 1 91 91 ASN CB C 91 37.385 37.385 37.767 -0.383 18415 10539 1 14 . 1 1 91 91 ASN H H 91 8.906 8.906 7.998 0.908 18415 10540 1 14 . 1 1 92 92 GLU N N 92 116.991 116.991 120.681 -3.690 18415 10541 1 14 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.252 0.035 18415 10542 1 14 . 1 1 92 92 GLU C C 92 173.188 173.188 175.510 -2.322 18415 10543 1 14 . 1 1 92 92 GLU CA C 92 53.271 53.271 56.077 -2.806 18415 10544 1 14 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.238 1.216 18415 10545 1 14 . 1 1 92 92 GLU H H 92 7.738 7.738 8.242 -0.504 18415 10546 1 14 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.774 -0.130 18415 10547 1 14 . 1 1 95 95 ASN C C 95 175.699 175.699 175.604 0.095 18415 10548 1 14 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.781 -0.322 18415 10549 1 14 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.781 -1.056 18415 10550 1 14 . 1 1 96 96 SER N N 96 116.489 116.489 117.302 -0.813 18415 10551 1 14 . 1 1 96 96 SER HA H 96 4.405 4.405 4.496 -0.091 18415 10552 1 14 . 1 1 96 96 SER C C 96 174.831 174.831 173.539 1.292 18415 10553 1 14 . 1 1 96 96 SER CA C 96 58.753 58.753 58.922 -0.169 18415 10554 1 14 . 1 1 96 96 SER CB C 96 64.216 64.216 63.461 0.755 18415 10555 1 14 . 1 1 96 96 SER H H 96 8.118 8.118 7.870 0.248 18415 10556 1 14 . 1 1 97 97 GLN N N 97 121.023 121.023 125.914 -4.891 18415 10557 1 14 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.320 -0.068 18415 10558 1 14 . 1 1 97 97 GLN C C 97 176.063 176.063 175.081 0.982 18415 10559 1 14 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.359 0.598 18415 10560 1 14 . 1 1 97 97 GLN CB C 97 29.528 29.528 29.238 0.291 18415 10561 1 14 . 1 1 97 97 GLN H H 97 8.371 8.371 8.838 -0.467 18415 10562 1 14 . 1 1 98 98 GLY N N 98 110.498 110.498 112.714 -2.216 18415 10563 1 14 . 1 1 98 98 GLY C C 98 172.460 172.460 172.759 -0.299 18415 10564 1 14 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.600 -0.664 18415 10565 1 14 . 1 1 98 98 GLY H H 98 8.080 8.080 8.120 -0.040 18415 10566 1 14 . 1 1 99 99 GLU N N 99 119.919 119.919 119.751 0.168 18415 10567 1 14 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.758 0.513 18415 10568 1 14 . 1 1 99 99 GLU C C 99 176.605 176.605 174.654 1.951 18415 10569 1 14 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.316 0.192 18415 10570 1 14 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.811 1.657 18415 10571 1 14 . 1 1 99 99 GLU H H 99 8.004 8.004 7.885 0.119 18415 10572 1 14 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.074 0.206 18415 10573 1 14 . 1 1 100 100 ASN CA C 100 53.381 53.381 53.219 0.162 18415 10574 1 14 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.319 1.598 18415 10575 1 14 . 1 1 101 101 CYS N N 101 121.118 121.118 120.505 0.613 18415 10576 1 14 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.302 0.188 18415 10577 1 14 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.626 0.712 18415 10578 1 14 . 1 1 101 101 CYS CB C 101 43.778 43.778 31.310 12.468 18415 10579 1 14 . 1 1 101 101 CYS H H 101 9.707 9.707 9.162 0.545 18415 10580 1 14 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.615 -0.429 18415 10581 1 14 . 1 1 102 102 VAL C C 102 175.530 175.530 174.036 1.494 18415 10582 1 14 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.642 2.391 18415 10583 1 14 . 1 1 102 102 VAL CB C 102 35.154 35.154 34.944 0.210 18415 10584 1 14 . 1 1 103 103 VAL N N 103 115.890 115.890 127.532 -11.642 18415 10585 1 14 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.961 0.387 18415 10586 1 14 . 1 1 103 103 VAL C C 103 175.136 175.136 173.834 1.302 18415 10587 1 14 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.350 -1.613 18415 10588 1 14 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.883 -0.749 18415 10589 1 14 . 1 1 103 103 VAL H H 103 8.698 8.698 8.863 -0.165 18415 10590 1 14 . 1 1 104 104 LEU N N 104 124.477 124.477 129.183 -4.706 18415 10591 1 14 . 1 1 104 104 LEU HA H 104 4.976 4.976 4.940 0.036 18415 10592 1 14 . 1 1 104 104 LEU C C 104 176.248 176.248 175.559 0.689 18415 10593 1 14 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.879 0.114 18415 10594 1 14 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.190 2.652 18415 10595 1 14 . 1 1 104 104 LEU H H 104 9.453 9.453 9.025 0.428 18415 10596 1 14 . 1 1 105 105 VAL N N 105 123.109 123.109 125.078 -1.969 18415 10597 1 14 . 1 1 105 105 VAL HA H 105 5.015 5.015 5.050 -0.035 18415 10598 1 14 . 1 1 105 105 VAL C C 105 173.635 173.635 173.824 -0.189 18415 10599 1 14 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.103 2.130 18415 10600 1 14 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.627 0.007 18415 10601 1 14 . 1 1 105 105 VAL H H 105 9.477 9.477 9.044 0.433 18415 10602 1 14 . 1 1 106 106 TYR N N 106 136.491 136.491 128.288 8.203 18415 10603 1 14 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.492 -0.027 18415 10604 1 14 . 1 1 106 106 TYR C C 106 175.009 175.009 174.081 0.928 18415 10605 1 14 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.411 -0.362 18415 10606 1 14 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.402 0.549 18415 10607 1 14 . 1 1 106 106 TYR H H 106 9.509 9.509 8.482 1.027 18415 10608 1 14 . 1 1 107 107 ASN N N 107 124.433 124.433 124.140 0.293 18415 10609 1 14 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.964 -0.414 18415 10610 1 14 . 1 1 107 107 ASN C C 107 173.919 173.919 174.267 -0.348 18415 10611 1 14 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.634 -0.025 18415 10612 1 14 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.329 -0.319 18415 10613 1 14 . 1 1 107 107 ASN H H 107 8.329 8.329 8.303 0.026 18415 10614 1 14 . 1 1 108 108 GLN N N 108 119.681 119.681 119.150 0.531 18415 10615 1 14 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.969 -0.315 18415 10616 1 14 . 1 1 108 108 GLN C C 108 175.060 175.060 174.370 0.690 18415 10617 1 14 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.758 0.848 18415 10618 1 14 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.919 -0.655 18415 10619 1 14 . 1 1 108 108 GLN H H 108 8.558 8.558 8.888 -0.330 18415 10620 1 14 . 1 1 109 109 ASP N N 109 109.712 109.712 113.391 -3.679 18415 10621 1 14 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.040 -0.063 18415 10622 1 14 . 1 1 109 109 ASP C C 109 174.354 174.354 174.676 -0.322 18415 10623 1 14 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.449 -0.250 18415 10624 1 14 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.532 -0.506 18415 10625 1 14 . 1 1 109 109 ASP H H 109 8.199 8.199 8.544 -0.345 18415 10626 1 14 . 1 1 110 110 LYS N N 110 115.590 115.590 113.993 1.597 18415 10627 1 14 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.455 0.097 18415 10628 1 14 . 1 1 110 110 LYS C C 110 174.674 174.674 174.420 0.254 18415 10629 1 14 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.273 1.196 18415 10630 1 14 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.467 0.122 18415 10631 1 14 . 1 1 110 110 LYS H H 110 7.081 7.081 7.041 0.040 18415 10632 1 14 . 1 1 111 111 TRP N N 111 122.248 122.248 122.942 -0.694 18415 10633 1 14 . 1 1 111 111 TRP HA H 111 5.073 5.073 4.877 0.196 18415 10634 1 14 . 1 1 111 111 TRP C C 111 175.920 175.920 176.482 -0.562 18415 10635 1 14 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.128 -0.939 18415 10636 1 14 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.026 0.843 18415 10637 1 14 . 1 1 111 111 TRP H H 111 8.650 8.650 8.475 0.175 18415 10638 1 14 . 1 1 112 112 ALA N N 112 124.184 124.184 124.859 -0.675 18415 10639 1 14 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.705 -0.537 18415 10640 1 14 . 1 1 112 112 ALA C C 112 174.995 174.995 175.175 -0.180 18415 10641 1 14 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.370 0.945 18415 10642 1 14 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.939 -5.057 18415 10643 1 14 . 1 1 112 112 ALA H H 112 8.790 8.790 8.935 -0.145 18415 10644 1 14 . 1 1 113 113 TRP N N 113 118.725 118.725 119.182 -0.457 18415 10645 1 14 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.388 0.768 18415 10646 1 14 . 1 1 113 113 TRP C C 113 177.471 177.471 177.056 0.415 18415 10647 1 14 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.423 -0.808 18415 10648 1 14 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.642 2.732 18415 10649 1 14 . 1 1 113 113 TRP H H 113 8.969 8.969 9.097 -0.128 18415 10650 1 14 . 1 1 114 114 ASN N N 114 120.479 120.479 119.257 1.222 18415 10651 1 14 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.563 -0.073 18415 10652 1 14 . 1 1 114 114 ASN C C 114 174.708 174.708 173.631 1.077 18415 10653 1 14 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.490 -0.732 18415 10654 1 14 . 1 1 114 114 ASN CB C 114 42.018 42.018 43.214 -1.196 18415 10655 1 14 . 1 1 114 114 ASN H H 114 9.518 9.518 9.006 0.512 18415 10656 1 14 . 1 1 115 115 ASP N N 115 118.209 118.209 123.673 -5.464 18415 10657 1 14 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.026 0.845 18415 10658 1 14 . 1 1 115 115 ASP C C 115 174.291 174.291 175.573 -1.282 18415 10659 1 14 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.295 -2.108 18415 10660 1 14 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.584 -1.079 18415 10661 1 14 . 1 1 115 115 ASP H H 115 8.563 8.563 8.682 -0.119 18415 10662 1 14 . 1 1 116 116 VAL N N 116 118.669 118.669 119.313 -0.644 18415 10663 1 14 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.866 0.029 18415 10664 1 14 . 1 1 116 116 VAL C C 116 172.334 172.334 173.300 -0.966 18415 10665 1 14 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.899 0.382 18415 10666 1 14 . 1 1 116 116 VAL CB C 116 34.333 34.333 35.460 -1.127 18415 10667 1 14 . 1 1 116 116 VAL H H 116 9.369 9.369 8.702 0.667 18415 10668 1 14 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.430 0.504 18415 10669 1 14 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.072 0.004 18415 10670 1 14 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.594 0.765 18415 10671 1 14 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.175 0.275 18415 10672 1 14 . 1 1 118 118 CYS C C 118 175.583 175.583 175.573 0.010 18415 10673 1 14 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.798 -1.894 18415 10674 1 14 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.693 17.148 18415 10675 1 14 . 1 1 119 119 ASN N N 119 117.251 117.251 115.332 1.919 18415 10676 1 14 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.697 0.216 18415 10677 1 14 . 1 1 119 119 ASN C C 119 174.849 174.849 174.921 -0.072 18415 10678 1 14 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.469 -0.327 18415 10679 1 14 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.569 -1.494 18415 10680 1 14 . 1 1 119 119 ASN H H 119 8.411 8.411 8.462 -0.051 18415 10681 1 14 . 1 1 120 120 PHE N N 120 123.415 123.415 122.186 1.229 18415 10682 1 14 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.636 -0.090 18415 10683 1 14 . 1 1 120 120 PHE C C 120 173.156 173.156 174.681 -1.525 18415 10684 1 14 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.608 0.752 18415 10685 1 14 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.138 -0.689 18415 10686 1 14 . 1 1 120 120 PHE H H 120 8.097 8.097 7.823 0.274 18415 10687 1 14 . 1 1 121 121 GLU N N 121 119.143 119.143 123.945 -4.802 18415 10688 1 14 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.911 -0.358 18415 10689 1 14 . 1 1 121 121 GLU C C 121 174.732 174.732 174.408 0.324 18415 10690 1 14 . 1 1 121 121 GLU CA C 121 54.588 54.588 54.483 0.105 18415 10691 1 14 . 1 1 121 121 GLU CB C 121 30.420 30.420 30.977 -0.557 18415 10692 1 14 . 1 1 121 121 GLU H H 121 7.012 7.012 7.661 -0.649 18415 10693 1 14 . 1 1 122 122 ALA N N 122 125.793 125.793 124.242 1.551 18415 10694 1 14 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.341 0.130 18415 10695 1 14 . 1 1 122 122 ALA C C 122 177.616 177.616 175.252 2.364 18415 10696 1 14 . 1 1 122 122 ALA CA C 122 51.243 51.243 51.151 0.092 18415 10697 1 14 . 1 1 122 122 ALA CB C 122 20.602 20.602 20.408 0.194 18415 10698 1 14 . 1 1 122 122 ALA H H 122 8.441 8.441 9.096 -0.655 18415 10699 1 14 . 1 1 123 123 SER N N 123 115.420 115.420 114.824 0.596 18415 10700 1 14 . 1 1 123 123 SER HA H 123 4.522 4.522 4.728 -0.206 18415 10701 1 14 . 1 1 123 123 SER C C 123 172.514 172.514 174.235 -1.721 18415 10702 1 14 . 1 1 123 123 SER CA C 123 60.661 60.661 57.405 3.256 18415 10703 1 14 . 1 1 123 123 SER CB C 123 62.943 62.943 64.077 -1.134 18415 10704 1 14 . 1 1 123 123 SER H H 123 7.716 7.716 8.083 -0.367 18415 10705 1 14 . 1 1 124 124 ARG N N 124 112.529 112.529 120.180 -7.651 18415 10706 1 14 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.878 0.612 18415 10707 1 14 . 1 1 124 124 ARG C C 124 173.779 173.779 173.693 0.086 18415 10708 1 14 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.767 0.172 18415 10709 1 14 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.244 -2.319 18415 10710 1 14 . 1 1 124 124 ARG H H 124 8.840 8.840 9.100 -0.260 18415 10711 1 14 . 1 1 125 125 ILE N N 125 116.525 116.525 124.296 -7.771 18415 10712 1 14 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.958 -0.240 18415 10713 1 14 . 1 1 125 125 ILE C C 125 175.656 175.656 174.615 1.041 18415 10714 1 14 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.586 1.250 18415 10715 1 14 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.859 0.699 18415 10716 1 14 . 1 1 125 125 ILE H H 125 6.989 6.989 8.098 -1.109 18415 10717 1 14 . 1 1 126 126 CYS N N 126 123.910 123.910 126.408 -2.498 18415 10718 1 14 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.262 0.308 18415 10719 1 14 . 1 1 126 126 CYS C C 126 173.662 173.662 173.445 0.217 18415 10720 1 14 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.431 -5.591 18415 10721 1 14 . 1 1 126 126 CYS CB C 126 39.141 39.141 30.187 8.954 18415 10722 1 14 . 1 1 126 126 CYS H H 126 8.288 8.288 9.029 -0.741 18415 10723 1 14 . 1 1 127 127 LYS N N 127 124.170 124.170 123.270 0.900 18415 10724 1 14 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.649 -0.030 18415 10725 1 14 . 1 1 127 127 LYS C C 127 174.637 174.637 174.889 -0.252 18415 10726 1 14 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.890 0.345 18415 10727 1 14 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.028 2.490 18415 10728 1 14 . 1 1 127 127 LYS H H 127 9.681 9.681 9.444 0.237 18415 10729 1 14 . 1 1 128 128 ILE N N 128 129.226 129.226 125.793 3.433 18415 10730 1 14 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.666 0.234 18415 10731 1 14 . 1 1 128 128 ILE C C 128 172.463 172.463 173.172 -0.709 18415 10732 1 14 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.576 0.808 18415 10733 1 14 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.693 2.195 18415 10734 1 14 . 1 1 128 128 ILE H H 128 9.205 9.205 9.204 0.001 18415 10735 1 14 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.338 0.653 18415 10736 1 14 . 1 1 129 129 PRO C C 129 177.954 177.954 177.041 0.913 18415 10737 1 14 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.883 -0.259 18415 10738 1 14 . 1 1 129 129 PRO CB C 129 32.501 32.501 31.734 0.767 18415 10739 1 14 . 1 1 130 130 GLY N N 130 110.745 110.745 111.863 -1.118 18415 10740 1 14 . 1 1 130 130 GLY C C 130 175.022 175.022 175.950 -0.928 18415 10741 1 14 . 1 1 130 130 GLY CA C 130 46.256 46.256 46.833 -0.577 18415 10742 1 14 . 1 1 130 130 GLY H H 130 8.673 8.673 8.980 -0.307 18415 10743 1 14 . 1 1 131 131 THR N N 131 112.246 112.246 111.848 0.398 18415 10744 1 14 . 1 1 131 131 THR HA H 131 4.427 4.427 3.721 0.706 18415 10745 1 14 . 1 1 131 131 THR C C 131 175.259 175.259 175.893 -0.634 18415 10746 1 14 . 1 1 131 131 THR CA C 131 61.500 61.500 65.421 -3.921 18415 10747 1 14 . 1 1 131 131 THR CB C 131 69.998 69.998 66.558 3.440 18415 10748 1 14 . 1 1 131 131 THR H H 131 7.870 7.870 8.286 -0.416 18415 10749 1 14 . 1 1 132 132 THR N N 132 116.455 116.455 117.875 -1.420 18415 10750 1 14 . 1 1 132 132 THR HA H 132 4.281 4.281 3.961 0.320 18415 10751 1 14 . 1 1 132 132 THR C C 132 174.867 174.867 175.396 -0.529 18415 10752 1 14 . 1 1 132 132 THR CA C 132 62.453 62.453 64.637 -2.184 18415 10753 1 14 . 1 1 132 132 THR CB C 132 69.868 69.868 68.433 1.435 18415 10754 1 14 . 1 1 132 132 THR H H 132 8.120 8.120 8.177 -0.057 18415 10755 1 14 . 1 1 133 133 LEU N N 133 124.001 124.001 118.461 5.540 18415 10756 1 14 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.067 0.195 18415 10757 1 14 . 1 1 133 133 LEU C C 133 177.365 177.365 178.082 -0.717 18415 10758 1 14 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.389 -0.642 18415 10759 1 14 . 1 1 133 133 LEU CB C 133 42.322 42.322 40.499 1.823 18415 10760 1 14 . 1 1 133 133 LEU H H 133 8.117 8.117 7.957 0.160 18415 10761 1 14 . 1 1 134 134 ASN N N 134 119.222 119.222 117.222 2.000 18415 10762 1 14 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.638 -0.017 18415 10763 1 14 . 1 1 134 134 ASN C C 134 175.725 175.725 176.174 -0.449 18415 10764 1 14 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.903 -1.278 18415 10765 1 14 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.686 -0.850 18415 10766 1 14 . 1 1 134 134 ASN H H 134 8.325 8.325 7.768 0.557 18415 10767 1 14 . 1 1 135 135 ALA N N 135 123.649 123.649 121.938 1.711 18415 10768 1 14 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.484 -0.355 18415 10769 1 14 . 1 1 135 135 ALA C C 135 179.061 179.061 178.468 0.593 18415 10770 1 14 . 1 1 135 135 ALA CA C 135 53.932 53.932 52.286 1.646 18415 10771 1 14 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.330 0.609 18415 10772 1 14 . 1 1 135 135 ALA H H 135 8.205 8.205 7.267 0.938 18415 10773 1 14 . 1 1 136 136 GLU N N 136 119.187 119.187 120.338 -1.151 18415 10774 1 14 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.008 0.197 18415 10775 1 14 . 1 1 136 136 GLU C C 136 177.504 177.504 178.434 -0.930 18415 10776 1 14 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.773 -1.895 18415 10777 1 14 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.139 0.507 18415 10778 1 14 . 1 1 136 136 GLU H H 136 8.349 8.349 8.100 0.249 18415 10779 1 14 . 1 1 137 137 ASN N N 137 118.988 118.988 116.817 2.171 18415 10780 1 14 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.657 -0.020 18415 10781 1 14 . 1 1 137 137 ASN C C 137 176.785 176.785 177.492 -0.707 18415 10782 1 14 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.507 -1.033 18415 10783 1 14 . 1 1 137 137 ASN CB C 137 38.709 38.709 37.379 1.330 18415 10784 1 14 . 1 1 137 137 ASN H H 137 8.259 8.259 8.428 -0.169 18415 10785 1 14 . 1 1 138 138 LEU N N 138 121.438 121.438 122.367 -0.929 18415 10786 1 14 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.086 0.049 18415 10787 1 14 . 1 1 138 138 LEU C C 138 178.872 178.872 178.532 0.340 18415 10788 1 14 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.858 -0.931 18415 10789 1 14 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.132 0.869 18415 10790 1 14 . 1 1 138 138 LEU H H 138 8.084 8.084 7.553 0.531 18415 10791 1 14 . 1 1 139 139 TYR N N 139 120.558 120.558 119.652 0.906 18415 10792 1 14 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.417 -0.131 18415 10793 1 14 . 1 1 139 139 TYR C C 139 177.587 177.587 178.654 -1.067 18415 10794 1 14 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.364 -0.219 18415 10795 1 14 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.675 -0.308 18415 10796 1 14 . 1 1 139 139 TYR H H 139 8.130 8.130 8.678 -0.548 18415 10797 1 14 . 1 1 140 140 PHE N N 140 120.508 120.508 120.406 0.102 18415 10798 1 14 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.198 0.157 18415 10799 1 14 . 1 1 140 140 PHE C C 140 177.425 177.425 176.643 0.782 18415 10800 1 14 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.917 -1.287 18415 10801 1 14 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.164 0.088 18415 10802 1 14 . 1 1 140 140 PHE H H 140 8.275 8.275 8.338 -0.063 18415 10803 1 14 . 1 1 141 141 GLN N N 141 119.274 119.274 117.585 1.689 18415 10804 1 14 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.080 0.033 18415 10805 1 14 . 1 1 141 141 GLN C C 141 176.976 176.976 175.959 1.017 18415 10806 1 14 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.815 0.548 18415 10807 1 14 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.386 -0.358 18415 10808 1 14 . 1 1 141 141 GLN H H 141 8.250 8.250 7.890 0.360 18415 10809 1 15 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.053 -0.266 18415 10810 1 15 . 1 1 2 2 VAL C C 2 172.250 172.250 174.525 -2.275 18415 10811 1 15 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.998 -1.704 18415 10812 1 15 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.561 2.147 18415 10813 1 15 . 1 1 3 3 CYS N N 3 121.988 121.988 126.690 -4.702 18415 10814 1 15 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.927 0.278 18415 10815 1 15 . 1 1 3 3 CYS C C 3 171.993 171.993 172.894 -0.901 18415 10816 1 15 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.628 -4.584 18415 10817 1 15 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.269 10.192 18415 10818 1 15 . 1 1 3 3 CYS H H 3 8.628 8.628 8.389 0.239 18415 10819 1 15 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.893 -0.070 18415 10820 1 15 . 1 1 5 5 ILE C C 5 176.622 176.622 176.360 0.262 18415 10821 1 15 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.103 0.197 18415 10822 1 15 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.867 0.177 18415 10823 1 15 . 1 1 6 6 ASP N N 6 117.894 117.894 118.094 -0.200 18415 10824 1 15 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.540 -0.196 18415 10825 1 15 . 1 1 6 6 ASP H H 6 8.606 8.606 8.437 0.169 18415 10826 1 15 . 1 1 7 7 TRP N N 7 120.564 120.564 119.897 0.667 18415 10827 1 15 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.751 -0.061 18415 10828 1 15 . 1 1 7 7 TRP C C 7 176.415 176.415 176.834 -0.419 18415 10829 1 15 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.585 0.453 18415 10830 1 15 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.983 -1.212 18415 10831 1 15 . 1 1 7 7 TRP H H 7 8.208 8.208 7.518 0.690 18415 10832 1 15 . 1 1 8 8 ARG N N 8 119.872 119.872 120.791 -0.919 18415 10833 1 15 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.598 0.088 18415 10834 1 15 . 1 1 8 8 ARG C C 8 176.146 176.146 175.126 1.020 18415 10835 1 15 . 1 1 8 8 ARG CA C 8 53.941 53.941 53.660 0.281 18415 10836 1 15 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.815 0.748 18415 10837 1 15 . 1 1 8 8 ARG H H 8 9.456 9.456 9.293 0.163 18415 10838 1 15 . 1 1 9 9 ALA N N 9 127.265 127.265 128.771 -1.506 18415 10839 1 15 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.827 0.564 18415 10840 1 15 . 1 1 9 9 ALA C C 9 176.927 176.927 176.397 0.530 18415 10841 1 15 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.128 0.882 18415 10842 1 15 . 1 1 9 9 ALA CB C 9 22.663 22.663 20.258 2.405 18415 10843 1 15 . 1 1 9 9 ALA H H 9 8.819 8.819 8.654 0.165 18415 10844 1 15 . 1 1 10 10 PHE N N 10 120.450 120.450 127.079 -6.629 18415 10845 1 15 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.759 -0.565 18415 10846 1 15 . 1 1 10 10 PHE C C 10 174.606 174.606 174.596 0.010 18415 10847 1 15 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.319 1.208 18415 10848 1 15 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.366 -0.505 18415 10849 1 15 . 1 1 10 10 PHE H H 10 8.202 8.202 8.833 -0.631 18415 10850 1 15 . 1 1 11 11 GLN N N 11 126.391 126.391 122.817 3.574 18415 10851 1 15 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.443 0.018 18415 10852 1 15 . 1 1 11 11 GLN C C 11 175.859 175.859 176.205 -0.346 18415 10853 1 15 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.332 -1.080 18415 10854 1 15 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.072 -1.109 18415 10855 1 15 . 1 1 11 11 GLN H H 11 8.872 8.872 8.524 0.348 18415 10856 1 15 . 1 1 12 12 SER N N 12 113.087 113.087 116.667 -3.580 18415 10857 1 15 . 1 1 12 12 SER HA H 12 4.252 4.252 4.258 -0.006 18415 10858 1 15 . 1 1 12 12 SER C C 12 173.339 173.339 175.139 -1.800 18415 10859 1 15 . 1 1 12 12 SER CA C 12 59.795 59.795 59.977 -0.182 18415 10860 1 15 . 1 1 12 12 SER CB C 12 62.943 62.943 63.722 -0.779 18415 10861 1 15 . 1 1 12 12 SER H H 12 8.189 8.189 8.056 0.133 18415 10862 1 15 . 1 1 13 13 ASN N N 13 118.336 118.336 120.538 -2.202 18415 10863 1 15 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.765 0.491 18415 10864 1 15 . 1 1 13 13 ASN C C 13 174.330 174.330 174.114 0.216 18415 10865 1 15 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.797 -0.455 18415 10866 1 15 . 1 1 13 13 ASN CB C 13 43.458 43.458 39.863 3.595 18415 10867 1 15 . 1 1 13 13 ASN H H 13 8.242 8.242 7.703 0.539 18415 10868 1 15 . 1 1 14 14 CYS N N 14 118.315 118.315 116.821 1.494 18415 10869 1 15 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.212 0.649 18415 10870 1 15 . 1 1 14 14 CYS C C 14 174.314 174.314 173.246 1.068 18415 10871 1 15 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.303 -4.618 18415 10872 1 15 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.029 13.990 18415 10873 1 15 . 1 1 14 14 CYS H H 14 8.592 8.592 8.410 0.182 18415 10874 1 15 . 1 1 15 15 TYR N N 15 121.588 121.588 120.607 0.981 18415 10875 1 15 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.533 0.244 18415 10876 1 15 . 1 1 15 15 TYR C C 15 176.333 176.333 174.370 1.963 18415 10877 1 15 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.607 2.009 18415 10878 1 15 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.410 3.173 18415 10879 1 15 . 1 1 15 15 TYR H H 15 9.947 9.947 9.526 0.421 18415 10880 1 15 . 1 1 16 16 PHE N N 16 121.989 121.989 122.219 -0.230 18415 10881 1 15 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.822 0.089 18415 10882 1 15 . 1 1 16 16 PHE C C 16 172.937 172.937 172.809 0.128 18415 10883 1 15 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.944 -0.546 18415 10884 1 15 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.670 -2.600 18415 10885 1 15 . 1 1 16 16 PHE H H 16 8.717 8.717 9.328 -0.611 18415 10886 1 15 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.447 0.669 18415 10887 1 15 . 1 1 17 17 PRO C C 17 175.445 175.445 174.959 0.486 18415 10888 1 15 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.966 -0.478 18415 10889 1 15 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.758 0.233 18415 10890 1 15 . 1 1 18 18 LEU N N 18 126.062 126.062 125.672 0.390 18415 10891 1 15 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.517 0.164 18415 10892 1 15 . 1 1 18 18 LEU C C 18 177.391 177.391 177.662 -0.271 18415 10893 1 15 . 1 1 18 18 LEU CA C 18 55.360 55.360 54.042 1.318 18415 10894 1 15 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.734 1.748 18415 10895 1 15 . 1 1 18 18 LEU H H 18 9.054 9.054 9.041 0.013 18415 10896 1 15 . 1 1 19 19 THR N N 19 109.256 109.256 112.263 -3.007 18415 10897 1 15 . 1 1 19 19 THR HA H 19 4.612 4.612 4.307 0.305 18415 10898 1 15 . 1 1 19 19 THR C C 19 175.613 175.613 173.636 1.977 18415 10899 1 15 . 1 1 19 19 THR CA C 19 62.236 62.236 61.146 1.090 18415 10900 1 15 . 1 1 19 19 THR CB C 19 69.530 69.530 68.978 0.552 18415 10901 1 15 . 1 1 19 19 THR H H 19 8.303 8.303 8.556 -0.253 18415 10902 1 15 . 1 1 20 20 ASP N N 20 121.645 121.645 120.971 0.674 18415 10903 1 15 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.564 -0.107 18415 10904 1 15 . 1 1 20 20 ASP C C 20 174.684 174.684 175.596 -0.912 18415 10905 1 15 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.198 -0.080 18415 10906 1 15 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.442 -1.373 18415 10907 1 15 . 1 1 20 20 ASP H H 20 8.834 8.834 7.739 1.095 18415 10908 1 15 . 1 1 21 21 ASN N N 21 118.648 118.648 119.820 -1.172 18415 10909 1 15 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.681 -0.035 18415 10910 1 15 . 1 1 21 21 ASN C C 21 176.542 176.542 174.703 1.839 18415 10911 1 15 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.099 0.353 18415 10912 1 15 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.232 1.221 18415 10913 1 15 . 1 1 21 21 ASN H H 21 8.113 8.113 8.558 -0.445 18415 10914 1 15 . 1 1 22 22 LYS N N 22 122.470 122.470 124.645 -2.175 18415 10915 1 15 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.810 0.046 18415 10916 1 15 . 1 1 22 22 LYS C C 22 176.711 176.711 176.172 0.539 18415 10917 1 15 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.741 1.924 18415 10918 1 15 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.352 2.187 18415 10919 1 15 . 1 1 22 22 LYS H H 22 8.794 8.794 8.660 0.134 18415 10920 1 15 . 1 1 23 23 THR N N 23 109.009 109.009 113.652 -4.643 18415 10921 1 15 . 1 1 23 23 THR HA H 23 5.647 5.647 4.329 1.318 18415 10922 1 15 . 1 1 23 23 THR C C 23 178.411 178.411 175.735 2.676 18415 10923 1 15 . 1 1 23 23 THR CA C 23 61.773 61.773 61.118 0.655 18415 10924 1 15 . 1 1 23 23 THR CB C 23 71.820 71.820 69.776 2.044 18415 10925 1 15 . 1 1 23 23 THR H H 23 8.250 8.250 8.587 -0.337 18415 10926 1 15 . 1 1 24 24 TRP N N 24 126.345 126.345 123.688 2.657 18415 10927 1 15 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.667 -0.637 18415 10928 1 15 . 1 1 24 24 TRP C C 24 178.204 178.204 176.896 1.308 18415 10929 1 15 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.608 1.973 18415 10930 1 15 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.428 1.226 18415 10931 1 15 . 1 1 24 24 TRP H H 24 8.279 8.279 8.384 -0.105 18415 10932 1 15 . 1 1 25 25 ALA N N 25 119.965 119.965 120.194 -0.229 18415 10933 1 15 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.941 0.007 18415 10934 1 15 . 1 1 25 25 ALA C C 25 182.089 182.089 179.796 2.293 18415 10935 1 15 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.095 0.795 18415 10936 1 15 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.098 0.157 18415 10937 1 15 . 1 1 25 25 ALA H H 25 9.634 9.634 8.361 1.273 18415 10938 1 15 . 1 1 26 26 GLU N N 26 116.492 116.492 118.517 -2.025 18415 10939 1 15 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.932 0.131 18415 10940 1 15 . 1 1 26 26 GLU C C 26 179.756 179.756 179.037 0.719 18415 10941 1 15 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.051 -0.756 18415 10942 1 15 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.494 0.989 18415 10943 1 15 . 1 1 26 26 GLU H H 26 7.392 7.392 7.809 -0.417 18415 10944 1 15 . 1 1 27 27 SER N N 27 121.197 121.197 116.135 5.062 18415 10945 1 15 . 1 1 27 27 SER HA H 27 3.855 3.855 4.005 -0.150 18415 10946 1 15 . 1 1 27 27 SER C C 27 174.299 174.299 176.306 -2.007 18415 10947 1 15 . 1 1 27 27 SER CA C 27 63.344 63.344 62.393 0.951 18415 10948 1 15 . 1 1 27 27 SER CB C 27 62.329 62.329 62.656 -0.327 18415 10949 1 15 . 1 1 27 27 SER H H 27 8.596 8.596 8.398 0.198 18415 10950 1 15 . 1 1 28 28 GLU N N 28 124.173 124.173 119.186 4.987 18415 10951 1 15 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.838 0.430 18415 10952 1 15 . 1 1 28 28 GLU C C 28 178.856 178.856 177.930 0.926 18415 10953 1 15 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.617 0.582 18415 10954 1 15 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.027 -2.127 18415 10955 1 15 . 1 1 28 28 GLU H H 28 8.133 8.133 7.442 0.691 18415 10956 1 15 . 1 1 29 29 ARG N N 29 120.498 120.498 117.535 2.963 18415 10957 1 15 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.038 0.005 18415 10958 1 15 . 1 1 29 29 ARG C C 29 179.339 179.339 177.751 1.588 18415 10959 1 15 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.821 0.870 18415 10960 1 15 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.375 -0.140 18415 10961 1 15 . 1 1 29 29 ARG H H 29 7.962 7.962 7.476 0.486 18415 10962 1 15 . 1 1 30 30 ASN N N 30 119.000 119.000 116.445 2.555 18415 10963 1 15 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.687 -0.240 18415 10964 1 15 . 1 1 30 30 ASN C C 30 178.153 178.153 175.614 2.539 18415 10965 1 15 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.843 2.807 18415 10966 1 15 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.879 0.557 18415 10967 1 15 . 1 1 30 30 ASN H H 30 7.960 7.960 7.724 0.236 18415 10968 1 15 . 1 1 31 31 CYS N N 31 116.301 116.301 116.775 -0.474 18415 10969 1 15 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.655 -0.174 18415 10970 1 15 . 1 1 31 31 CYS C C 31 178.072 178.072 175.895 2.177 18415 10971 1 15 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.456 -3.046 18415 10972 1 15 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.568 6.141 18415 10973 1 15 . 1 1 31 31 CYS H H 31 8.477 8.477 7.738 0.739 18415 10974 1 15 . 1 1 32 32 SER N N 32 119.834 119.834 115.992 3.842 18415 10975 1 15 . 1 1 32 32 SER HA H 32 4.700 4.700 4.353 0.347 18415 10976 1 15 . 1 1 32 32 SER C C 32 179.062 179.062 176.840 2.222 18415 10977 1 15 . 1 1 32 32 SER CA C 32 61.663 61.663 61.108 0.555 18415 10978 1 15 . 1 1 32 32 SER CB C 32 62.655 62.655 61.962 0.693 18415 10979 1 15 . 1 1 32 32 SER H H 32 9.206 9.206 8.750 0.456 18415 10980 1 15 . 1 1 33 33 GLY N N 33 111.632 111.632 109.939 1.693 18415 10981 1 15 . 1 1 33 33 GLY C C 33 174.861 174.861 175.304 -0.443 18415 10982 1 15 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.276 -0.609 18415 10983 1 15 . 1 1 33 33 GLY H H 33 8.053 8.053 8.544 -0.491 18415 10984 1 15 . 1 1 34 34 MET N N 34 116.998 116.998 119.310 -2.312 18415 10985 1 15 . 1 1 34 34 MET HA H 34 4.596 4.596 4.590 0.006 18415 10986 1 15 . 1 1 34 34 MET C C 34 175.356 175.356 176.136 -0.780 18415 10987 1 15 . 1 1 34 34 MET CA C 34 54.887 54.887 54.803 0.084 18415 10988 1 15 . 1 1 34 34 MET CB C 34 33.959 33.959 32.714 1.245 18415 10989 1 15 . 1 1 34 34 MET H H 34 7.441 7.441 7.870 -0.429 18415 10990 1 15 . 1 1 35 35 GLY N N 35 106.474 106.474 107.256 -0.782 18415 10991 1 15 . 1 1 35 35 GLY C C 35 173.112 173.112 173.345 -0.233 18415 10992 1 15 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.396 0.005 18415 10993 1 15 . 1 1 35 35 GLY H H 35 7.807 7.807 7.989 -0.182 18415 10994 1 15 . 1 1 36 36 ALA N N 36 121.833 121.833 121.977 -0.144 18415 10995 1 15 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.640 0.062 18415 10996 1 15 . 1 1 36 36 ALA C C 36 174.285 174.285 175.566 -1.281 18415 10997 1 15 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.002 -1.281 18415 10998 1 15 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.719 2.943 18415 10999 1 15 . 1 1 36 36 ALA H H 36 7.693 7.693 7.567 0.126 18415 11000 1 15 . 1 1 37 37 HIS N N 37 111.683 111.683 113.489 -1.806 18415 11001 1 15 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.118 0.013 18415 11002 1 15 . 1 1 37 37 HIS C C 37 175.351 175.351 174.589 0.762 18415 11003 1 15 . 1 1 37 37 HIS CA C 37 54.573 54.573 56.232 -1.659 18415 11004 1 15 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.614 0.357 18415 11005 1 15 . 1 1 37 37 HIS H H 37 8.078 8.078 9.018 -0.941 18415 11006 1 15 . 1 1 38 38 LEU N N 38 123.260 123.260 121.939 1.321 18415 11007 1 15 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.556 0.217 18415 11008 1 15 . 1 1 38 38 LEU C C 38 179.180 179.180 177.356 1.824 18415 11009 1 15 . 1 1 38 38 LEU CA C 38 56.366 56.366 56.167 0.199 18415 11010 1 15 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.629 1.027 18415 11011 1 15 . 1 1 38 38 LEU H H 38 9.964 9.964 8.916 1.048 18415 11012 1 15 . 1 1 39 39 MET N N 39 119.511 119.511 124.547 -5.036 18415 11013 1 15 . 1 1 39 39 MET HA H 39 3.855 3.855 4.469 -0.614 18415 11014 1 15 . 1 1 39 39 MET C C 39 174.874 174.874 175.302 -0.428 18415 11015 1 15 . 1 1 39 39 MET CA C 39 58.789 58.789 55.411 3.377 18415 11016 1 15 . 1 1 39 39 MET CB C 39 34.405 34.405 32.109 2.296 18415 11017 1 15 . 1 1 39 39 MET H H 39 8.409 8.409 8.674 -0.265 18415 11018 1 15 . 1 1 40 40 THR N N 40 123.771 123.771 117.776 5.995 18415 11019 1 15 . 1 1 40 40 THR HA H 40 4.013 4.013 4.232 -0.219 18415 11020 1 15 . 1 1 40 40 THR C C 40 172.936 172.936 173.074 -0.138 18415 11021 1 15 . 1 1 40 40 THR CA C 40 59.869 59.869 59.370 0.499 18415 11022 1 15 . 1 1 40 40 THR CB C 40 70.587 70.587 70.329 0.258 18415 11023 1 15 . 1 1 40 40 THR H H 40 6.822 6.822 8.040 -1.218 18415 11024 1 15 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.560 -0.311 18415 11025 1 15 . 1 1 41 41 ILE C C 41 174.349 174.349 175.809 -1.460 18415 11026 1 15 . 1 1 41 41 ILE CA C 41 59.757 59.757 60.269 -0.512 18415 11027 1 15 . 1 1 41 41 ILE CB C 41 38.571 38.571 39.112 -0.541 18415 11028 1 15 . 1 1 42 42 SER N N 42 122.113 122.113 122.316 -0.203 18415 11029 1 15 . 1 1 42 42 SER HA H 42 4.647 4.647 4.599 0.048 18415 11030 1 15 . 1 1 42 42 SER C C 42 174.502 174.502 174.814 -0.312 18415 11031 1 15 . 1 1 42 42 SER CA C 42 59.768 59.768 59.184 0.584 18415 11032 1 15 . 1 1 42 42 SER CB C 42 64.720 64.720 64.744 -0.024 18415 11033 1 15 . 1 1 42 42 SER H H 42 9.230 9.230 9.801 -0.571 18415 11034 1 15 . 1 1 43 43 THR N N 43 108.516 108.516 112.208 -3.692 18415 11035 1 15 . 1 1 43 43 THR HA H 43 4.807 4.807 4.798 0.009 18415 11036 1 15 . 1 1 43 43 THR C C 43 173.812 173.812 174.469 -0.657 18415 11037 1 15 . 1 1 43 43 THR CA C 43 59.249 59.249 60.323 -1.074 18415 11038 1 15 . 1 1 43 43 THR CB C 43 73.128 73.128 72.648 0.480 18415 11039 1 15 . 1 1 43 43 THR H H 43 7.559 7.559 7.567 -0.008 18415 11040 1 15 . 1 1 44 44 GLU N N 44 123.057 123.057 120.445 2.612 18415 11041 1 15 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.111 -0.662 18415 11042 1 15 . 1 1 44 44 GLU C C 44 178.262 178.262 178.030 0.232 18415 11043 1 15 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.460 -0.131 18415 11044 1 15 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.020 0.422 18415 11045 1 15 . 1 1 44 44 GLU H H 44 9.377 9.377 9.051 0.326 18415 11046 1 15 . 1 1 45 45 ALA N N 45 119.910 119.910 122.936 -3.026 18415 11047 1 15 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.186 -0.136 18415 11048 1 15 . 1 1 45 45 ALA C C 45 180.096 180.096 179.522 0.574 18415 11049 1 15 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.119 0.061 18415 11050 1 15 . 1 1 45 45 ALA CB C 45 18.267 18.267 17.992 0.275 18415 11051 1 15 . 1 1 45 45 ALA H H 45 8.328 8.328 8.412 -0.084 18415 11052 1 15 . 1 1 46 46 GLU N N 46 118.861 118.861 118.961 -0.100 18415 11053 1 15 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.419 0.193 18415 11054 1 15 . 1 1 46 46 GLU C C 46 177.452 177.452 178.297 -0.845 18415 11055 1 15 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.403 -0.119 18415 11056 1 15 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.354 1.159 18415 11057 1 15 . 1 1 46 46 GLU H H 46 7.852 7.852 7.718 0.134 18415 11058 1 15 . 1 1 47 47 GLN N N 47 119.473 119.473 118.964 0.509 18415 11059 1 15 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.810 -0.123 18415 11060 1 15 . 1 1 47 47 GLN C C 47 176.429 176.429 178.194 -1.765 18415 11061 1 15 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.947 0.961 18415 11062 1 15 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.385 1.591 18415 11063 1 15 . 1 1 47 47 GLN H H 47 7.054 7.054 7.678 -0.624 18415 11064 1 15 . 1 1 48 48 ASN N N 48 115.182 115.182 117.890 -2.708 18415 11065 1 15 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.242 -0.029 18415 11066 1 15 . 1 1 48 48 ASN C C 48 176.986 176.986 177.915 -0.929 18415 11067 1 15 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.466 -1.437 18415 11068 1 15 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.458 -0.900 18415 11069 1 15 . 1 1 48 48 ASN H H 48 8.416 8.416 8.329 0.087 18415 11070 1 15 . 1 1 49 49 PHE N N 49 118.413 118.413 117.942 0.471 18415 11071 1 15 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.095 -0.116 18415 11072 1 15 . 1 1 49 49 PHE C C 49 177.254 177.254 178.337 -1.083 18415 11073 1 15 . 1 1 49 49 PHE CA C 49 60.162 60.162 61.439 -1.277 18415 11074 1 15 . 1 1 49 49 PHE CB C 49 38.083 38.083 38.840 -0.757 18415 11075 1 15 . 1 1 49 49 PHE H H 49 7.473 7.473 8.345 -0.872 18415 11076 1 15 . 1 1 50 50 ILE N N 50 117.601 117.601 121.311 -3.710 18415 11077 1 15 . 1 1 50 50 ILE HA H 50 3.541 3.541 4.003 -0.462 18415 11078 1 15 . 1 1 50 50 ILE C C 50 176.891 176.891 176.849 0.042 18415 11079 1 15 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.373 -2.721 18415 11080 1 15 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.026 1.183 18415 11081 1 15 . 1 1 50 50 ILE H H 50 7.020 7.020 7.559 -0.539 18415 11082 1 15 . 1 1 51 51 ILE N N 51 114.824 114.824 115.570 -0.746 18415 11083 1 15 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.046 -0.153 18415 11084 1 15 . 1 1 51 51 ILE C C 51 177.092 177.092 176.693 0.399 18415 11085 1 15 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.045 1.159 18415 11086 1 15 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.475 0.445 18415 11087 1 15 . 1 1 51 51 ILE H H 51 7.216 7.216 7.857 -0.641 18415 11088 1 15 . 1 1 52 52 GLN N N 52 116.767 116.767 117.732 -0.965 18415 11089 1 15 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.983 -0.213 18415 11090 1 15 . 1 1 52 52 GLN C C 52 176.442 176.442 176.690 -0.248 18415 11091 1 15 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.342 -0.072 18415 11092 1 15 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.951 0.069 18415 11093 1 15 . 1 1 52 52 GLN H H 52 6.416 6.416 7.104 -0.688 18415 11094 1 15 . 1 1 53 53 PHE N N 53 115.400 115.400 116.725 -1.325 18415 11095 1 15 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.363 0.214 18415 11096 1 15 . 1 1 53 53 PHE C C 53 174.993 174.993 175.952 -0.959 18415 11097 1 15 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.206 -2.311 18415 11098 1 15 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.990 -0.457 18415 11099 1 15 . 1 1 53 53 PHE H H 53 7.216 7.216 7.386 -0.170 18415 11100 1 15 . 1 1 54 54 LEU N N 54 118.096 118.096 119.255 -1.159 18415 11101 1 15 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.952 0.139 18415 11102 1 15 . 1 1 54 54 LEU C C 54 175.467 175.467 176.385 -0.918 18415 11103 1 15 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.095 -0.524 18415 11104 1 15 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.791 -0.084 18415 11105 1 15 . 1 1 54 54 LEU H H 54 6.668 6.668 7.172 -0.504 18415 11106 1 15 . 1 1 55 55 ASP N N 55 123.723 123.723 122.611 1.112 18415 11107 1 15 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.709 0.106 18415 11108 1 15 . 1 1 55 55 ASP C C 55 177.896 177.896 177.056 0.840 18415 11109 1 15 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.095 -0.997 18415 11110 1 15 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.795 -0.133 18415 11111 1 15 . 1 1 55 55 ASP H H 55 8.687 8.687 8.461 0.226 18415 11112 1 15 . 1 1 56 56 ARG N N 56 124.370 124.370 125.023 -0.653 18415 11113 1 15 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.275 0.035 18415 11114 1 15 . 1 1 56 56 ARG C C 56 178.201 178.201 176.355 1.846 18415 11115 1 15 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.165 1.793 18415 11116 1 15 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.974 1.604 18415 11117 1 15 . 1 1 56 56 ARG H H 56 8.758 8.758 8.835 -0.077 18415 11118 1 15 . 1 1 57 57 ARG N N 57 120.411 120.411 117.311 3.100 18415 11119 1 15 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.427 -0.133 18415 11120 1 15 . 1 1 57 57 ARG C C 57 177.064 177.064 175.351 1.713 18415 11121 1 15 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.065 1.467 18415 11122 1 15 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.166 -1.474 18415 11123 1 15 . 1 1 57 57 ARG H H 57 9.150 9.150 8.145 1.005 18415 11124 1 15 . 1 1 58 58 LEU N N 58 119.445 119.445 122.561 -3.116 18415 11125 1 15 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.608 0.096 18415 11126 1 15 . 1 1 58 58 LEU C C 58 176.450 176.450 176.165 0.285 18415 11127 1 15 . 1 1 58 58 LEU CA C 58 54.279 54.279 54.077 0.202 18415 11128 1 15 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.980 0.278 18415 11129 1 15 . 1 1 58 58 LEU H H 58 8.328 8.328 7.809 0.519 18415 11130 1 15 . 1 1 59 59 SER N N 59 116.536 116.536 114.806 1.730 18415 11131 1 15 . 1 1 59 59 SER HA H 59 5.505 5.505 5.220 0.285 18415 11132 1 15 . 1 1 59 59 SER C C 59 173.263 173.263 174.294 -1.031 18415 11133 1 15 . 1 1 59 59 SER CA C 59 57.199 57.199 56.962 0.237 18415 11134 1 15 . 1 1 59 59 SER CB C 59 65.064 65.064 64.290 0.774 18415 11135 1 15 . 1 1 59 59 SER H H 59 8.470 8.470 8.352 0.118 18415 11136 1 15 . 1 1 60 60 TYR N N 60 120.274 120.274 125.565 -5.291 18415 11137 1 15 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.874 -0.597 18415 11138 1 15 . 1 1 60 60 TYR C C 60 175.560 175.560 175.800 -0.240 18415 11139 1 15 . 1 1 60 60 TYR CA C 60 56.472 56.472 57.103 -0.631 18415 11140 1 15 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.553 1.954 18415 11141 1 15 . 1 1 60 60 TYR H H 60 8.897 8.897 9.430 -0.533 18415 11142 1 15 . 1 1 61 61 PHE N N 61 123.635 123.635 122.987 0.648 18415 11143 1 15 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.623 0.665 18415 11144 1 15 . 1 1 61 61 PHE C C 61 175.433 175.433 175.426 0.007 18415 11145 1 15 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.380 -0.305 18415 11146 1 15 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.135 1.734 18415 11147 1 15 . 1 1 61 61 PHE H H 61 9.521 9.521 9.399 0.122 18415 11148 1 15 . 1 1 62 62 LEU N N 62 114.382 114.382 121.840 -7.458 18415 11149 1 15 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.930 0.143 18415 11150 1 15 . 1 1 62 62 LEU C C 62 179.521 179.521 178.110 1.411 18415 11151 1 15 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.294 -1.512 18415 11152 1 15 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.657 1.619 18415 11153 1 15 . 1 1 62 62 LEU H H 62 8.394 8.394 8.434 -0.040 18415 11154 1 15 . 1 1 63 63 GLY N N 63 106.675 106.675 108.555 -1.880 18415 11155 1 15 . 1 1 63 63 GLY C C 63 172.404 172.404 174.561 -2.157 18415 11156 1 15 . 1 1 63 63 GLY CA C 63 48.393 48.393 46.873 1.520 18415 11157 1 15 . 1 1 63 63 GLY H H 63 9.253 9.253 9.052 0.201 18415 11158 1 15 . 1 1 64 64 LEU N N 64 124.754 124.754 123.438 1.316 18415 11159 1 15 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.554 0.030 18415 11160 1 15 . 1 1 64 64 LEU CA C 64 54.302 54.302 55.002 -0.700 18415 11161 1 15 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.029 1.242 18415 11162 1 15 . 1 1 64 64 LEU H H 64 6.840 6.840 8.016 -1.176 18415 11163 1 15 . 1 1 65 65 ARG N N 65 124.476 124.476 127.192 -2.716 18415 11164 1 15 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.424 0.736 18415 11165 1 15 . 1 1 65 65 ARG C C 65 174.245 174.245 173.880 0.365 18415 11166 1 15 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.354 0.550 18415 11167 1 15 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.674 0.857 18415 11168 1 15 . 1 1 65 65 ARG H H 65 8.218 8.218 8.768 -0.550 18415 11169 1 15 . 1 1 66 66 ASP N N 66 126.754 126.754 123.916 2.838 18415 11170 1 15 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.311 0.118 18415 11171 1 15 . 1 1 66 66 ASP C C 66 176.516 176.516 174.049 2.467 18415 11172 1 15 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.344 -0.491 18415 11173 1 15 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.678 -3.910 18415 11174 1 15 . 1 1 66 66 ASP H H 66 8.756 8.756 8.675 0.081 18415 11175 1 15 . 1 1 67 67 GLU N N 67 123.390 123.390 126.300 -2.910 18415 11176 1 15 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.331 -0.555 18415 11177 1 15 . 1 1 67 67 GLU C C 67 175.648 175.648 175.891 -0.243 18415 11178 1 15 . 1 1 67 67 GLU CA C 67 58.848 58.848 54.856 3.992 18415 11179 1 15 . 1 1 67 67 GLU CB C 67 30.316 30.316 29.943 0.373 18415 11180 1 15 . 1 1 67 67 GLU H H 67 8.488 8.488 8.387 0.101 18415 11181 1 15 . 1 1 68 68 ASN N N 68 114.882 114.882 123.986 -9.104 18415 11182 1 15 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.266 0.398 18415 11183 1 15 . 1 1 68 68 ASN C C 68 174.482 174.482 173.311 1.171 18415 11184 1 15 . 1 1 68 68 ASN CA C 68 52.914 52.914 55.839 -2.925 18415 11185 1 15 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.025 1.387 18415 11186 1 15 . 1 1 68 68 ASN H H 68 8.336 8.336 8.700 -0.364 18415 11187 1 15 . 1 1 69 69 ALA N N 69 118.915 118.915 120.623 -1.708 18415 11188 1 15 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.498 -0.624 18415 11189 1 15 . 1 1 69 69 ALA C C 69 177.082 177.082 175.357 1.725 18415 11190 1 15 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.371 1.261 18415 11191 1 15 . 1 1 69 69 ALA CB C 69 17.171 17.171 19.763 -2.592 18415 11192 1 15 . 1 1 69 69 ALA H H 69 7.444 7.444 7.928 -0.484 18415 11193 1 15 . 1 1 70 70 LYS N N 70 117.439 117.439 122.308 -4.869 18415 11194 1 15 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.475 -0.157 18415 11195 1 15 . 1 1 70 70 LYS C C 70 177.726 177.726 176.932 0.794 18415 11196 1 15 . 1 1 70 70 LYS CA C 70 55.423 55.423 54.876 0.548 18415 11197 1 15 . 1 1 70 70 LYS CB C 70 32.736 32.736 34.246 -1.510 18415 11198 1 15 . 1 1 70 70 LYS H H 70 7.925 7.925 8.986 -1.061 18415 11199 1 15 . 1 1 71 71 GLY C C 71 175.127 175.127 174.040 1.087 18415 11200 1 15 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.400 0.274 18415 11201 1 15 . 1 1 72 72 GLN N N 72 124.084 124.084 119.008 5.076 18415 11202 1 15 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.353 0.038 18415 11203 1 15 . 1 1 72 72 GLN C C 72 174.283 174.283 174.832 -0.549 18415 11204 1 15 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.137 -0.980 18415 11205 1 15 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.851 -1.218 18415 11206 1 15 . 1 1 72 72 GLN H H 72 7.749 7.749 7.708 0.041 18415 11207 1 15 . 1 1 73 73 TRP N N 73 121.803 121.803 122.982 -1.179 18415 11208 1 15 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.540 -0.635 18415 11209 1 15 . 1 1 73 73 TRP C C 73 175.776 175.776 176.173 -0.397 18415 11210 1 15 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.540 -0.719 18415 11211 1 15 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.316 -0.440 18415 11212 1 15 . 1 1 73 73 TRP H H 73 6.599 6.599 8.208 -1.609 18415 11213 1 15 . 1 1 74 74 ARG N N 74 119.549 119.549 121.573 -2.024 18415 11214 1 15 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.627 0.079 18415 11215 1 15 . 1 1 74 74 ARG C C 74 176.980 176.980 174.744 2.236 18415 11216 1 15 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.975 -0.642 18415 11217 1 15 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.882 -0.259 18415 11218 1 15 . 1 1 74 74 ARG H H 74 8.443 8.443 7.866 0.577 18415 11219 1 15 . 1 1 75 75 TRP N N 75 125.690 125.690 126.031 -0.341 18415 11220 1 15 . 1 1 75 75 TRP HA H 75 5.427 5.427 4.947 0.480 18415 11221 1 15 . 1 1 75 75 TRP C C 75 180.474 180.474 177.238 3.236 18415 11222 1 15 . 1 1 75 75 TRP CA C 75 55.766 55.766 58.698 -2.932 18415 11223 1 15 . 1 1 75 75 TRP CB C 75 31.030 31.030 29.385 1.645 18415 11224 1 15 . 1 1 75 75 TRP H H 75 9.052 9.052 8.825 0.227 18415 11225 1 15 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.973 0.305 18415 11226 1 15 . 1 1 76 76 VAL C C 76 175.431 175.431 176.083 -0.652 18415 11227 1 15 . 1 1 76 76 VAL CA C 76 64.564 64.564 66.306 -1.742 18415 11228 1 15 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.098 0.271 18415 11229 1 15 . 1 1 77 77 ASP N N 77 119.941 119.941 119.576 0.365 18415 11230 1 15 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.618 -0.640 18415 11231 1 15 . 1 1 77 77 ASP C C 77 176.293 176.293 178.024 -1.731 18415 11232 1 15 . 1 1 77 77 ASP CA C 77 52.759 52.759 56.517 -3.758 18415 11233 1 15 . 1 1 77 77 ASP CB C 77 40.410 40.410 40.428 -0.018 18415 11234 1 15 . 1 1 77 77 ASP H H 77 8.004 8.004 8.315 -0.311 18415 11235 1 15 . 1 1 78 78 GLN N N 78 109.962 109.962 116.872 -6.910 18415 11236 1 15 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.614 -0.489 18415 11237 1 15 . 1 1 78 78 GLN C C 78 176.387 176.387 175.287 1.100 18415 11238 1 15 . 1 1 78 78 GLN CA C 78 57.792 57.792 55.331 2.462 18415 11239 1 15 . 1 1 78 78 GLN CB C 78 26.101 26.101 30.273 -4.172 18415 11240 1 15 . 1 1 78 78 GLN H H 78 8.124 8.124 8.379 -0.255 18415 11241 1 15 . 1 1 79 79 THR N N 79 121.656 121.656 121.595 0.061 18415 11242 1 15 . 1 1 79 79 THR HA H 79 4.250 4.250 4.582 -0.332 18415 11243 1 15 . 1 1 79 79 THR C C 79 172.901 172.901 172.941 -0.040 18415 11244 1 15 . 1 1 79 79 THR CA C 79 63.165 63.165 63.425 -0.260 18415 11245 1 15 . 1 1 79 79 THR CB C 79 69.427 69.427 68.773 0.654 18415 11246 1 15 . 1 1 79 79 THR H H 79 8.172 8.172 8.485 -0.313 18415 11247 1 15 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.519 0.003 18415 11248 1 15 . 1 1 80 80 PRO C C 80 176.940 176.940 176.083 0.857 18415 11249 1 15 . 1 1 80 80 PRO CA C 80 63.688 63.688 63.306 0.382 18415 11250 1 15 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.252 -0.065 18415 11251 1 15 . 1 1 81 81 PHE N N 81 125.403 125.403 124.156 1.247 18415 11252 1 15 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.260 0.649 18415 11253 1 15 . 1 1 81 81 PHE C C 81 174.853 174.853 175.198 -0.345 18415 11254 1 15 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.776 -0.423 18415 11255 1 15 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.887 0.132 18415 11256 1 15 . 1 1 81 81 PHE H H 81 9.015 9.015 8.353 0.662 18415 11257 1 15 . 1 1 82 82 ASN N N 82 129.264 129.264 124.493 4.771 18415 11258 1 15 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.845 0.210 18415 11259 1 15 . 1 1 82 82 ASN C C 82 173.643 173.643 173.592 0.051 18415 11260 1 15 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.858 -2.055 18415 11261 1 15 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.839 -0.344 18415 11262 1 15 . 1 1 82 82 ASN H H 82 8.985 8.985 8.111 0.874 18415 11263 1 15 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.464 -0.461 18415 11264 1 15 . 1 1 83 83 PRO C C 83 177.123 177.123 176.241 0.882 18415 11265 1 15 . 1 1 83 83 PRO CA C 83 63.785 63.785 63.993 -0.208 18415 11266 1 15 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.053 0.461 18415 11267 1 15 . 1 1 84 84 ARG N N 84 114.801 114.801 117.697 -2.896 18415 11268 1 15 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.397 -0.074 18415 11269 1 15 . 1 1 84 84 ARG C C 84 176.890 176.890 176.177 0.713 18415 11270 1 15 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.156 -0.153 18415 11271 1 15 . 1 1 84 84 ARG CB C 84 30.158 30.158 32.331 -2.172 18415 11272 1 15 . 1 1 84 84 ARG H H 84 7.697 7.697 7.963 -0.266 18415 11273 1 15 . 1 1 85 85 ARG N N 85 123.958 123.958 122.737 1.221 18415 11274 1 15 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.034 0.271 18415 11275 1 15 . 1 1 85 85 ARG C C 85 173.017 173.017 175.163 -2.146 18415 11276 1 15 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.486 -0.677 18415 11277 1 15 . 1 1 85 85 ARG CB C 85 30.040 30.040 28.413 1.627 18415 11278 1 15 . 1 1 85 85 ARG H H 85 7.596 7.596 8.706 -1.110 18415 11279 1 15 . 1 1 86 86 VAL N N 86 110.039 110.039 122.829 -12.790 18415 11280 1 15 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.922 -0.123 18415 11281 1 15 . 1 1 86 86 VAL CA C 86 58.266 58.266 61.289 -3.023 18415 11282 1 15 . 1 1 86 86 VAL CB C 86 34.226 34.226 33.274 0.952 18415 11283 1 15 . 1 1 86 86 VAL H H 86 6.570 6.570 7.150 -0.580 18415 11284 1 15 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.362 -0.040 18415 11285 1 15 . 1 1 87 87 PHE C C 87 173.471 173.471 174.149 -0.678 18415 11286 1 15 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.638 -0.261 18415 11287 1 15 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.575 -1.191 18415 11288 1 15 . 1 1 88 88 TRP N N 88 118.538 118.538 122.537 -3.999 18415 11289 1 15 . 1 1 88 88 TRP HA H 88 4.802 4.802 5.010 -0.208 18415 11290 1 15 . 1 1 88 88 TRP C C 88 179.297 179.297 175.830 3.467 18415 11291 1 15 . 1 1 88 88 TRP CA C 88 57.237 57.237 56.015 1.222 18415 11292 1 15 . 1 1 88 88 TRP CB C 88 31.550 31.550 32.089 -0.539 18415 11293 1 15 . 1 1 88 88 TRP H H 88 6.633 6.633 7.876 -1.243 18415 11294 1 15 . 1 1 89 89 HIS N N 89 122.693 122.693 118.350 4.343 18415 11295 1 15 . 1 1 89 89 HIS HA H 89 4.371 4.371 5.006 -0.635 18415 11296 1 15 . 1 1 89 89 HIS C C 89 175.621 175.621 175.570 0.051 18415 11297 1 15 . 1 1 89 89 HIS CA C 89 58.121 58.121 55.896 2.225 18415 11298 1 15 . 1 1 89 89 HIS CB C 89 32.712 32.712 32.916 -0.204 18415 11299 1 15 . 1 1 89 89 HIS H H 89 9.473 9.473 8.869 0.604 18415 11300 1 15 . 1 1 90 90 LYS N N 90 120.826 120.826 122.366 -1.540 18415 11301 1 15 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.394 -0.283 18415 11302 1 15 . 1 1 90 90 LYS C C 90 177.228 177.228 176.288 0.940 18415 11303 1 15 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.542 0.700 18415 11304 1 15 . 1 1 90 90 LYS CB C 90 32.482 32.482 31.890 0.592 18415 11305 1 15 . 1 1 90 90 LYS H H 90 8.741 8.741 8.768 -0.027 18415 11306 1 15 . 1 1 91 91 ASN N N 91 117.166 117.166 118.008 -0.842 18415 11307 1 15 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.839 -0.523 18415 11308 1 15 . 1 1 91 91 ASN C C 91 173.391 173.391 174.384 -0.993 18415 11309 1 15 . 1 1 91 91 ASN CA C 91 55.335 55.335 52.419 2.916 18415 11310 1 15 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.257 -0.872 18415 11311 1 15 . 1 1 91 91 ASN H H 91 8.906 8.906 8.222 0.684 18415 11312 1 15 . 1 1 92 92 GLU N N 92 116.991 116.991 121.322 -4.331 18415 11313 1 15 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.360 -0.073 18415 11314 1 15 . 1 1 92 92 GLU C C 92 173.188 173.188 175.496 -2.308 18415 11315 1 15 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.494 -1.223 18415 11316 1 15 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.071 1.383 18415 11317 1 15 . 1 1 92 92 GLU H H 92 7.738 7.738 7.940 -0.202 18415 11318 1 15 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.763 -0.119 18415 11319 1 15 . 1 1 95 95 ASN C C 95 175.699 175.699 174.267 1.432 18415 11320 1 15 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.386 0.073 18415 11321 1 15 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.231 -0.506 18415 11322 1 15 . 1 1 96 96 SER N N 96 116.489 116.489 118.051 -1.562 18415 11323 1 15 . 1 1 96 96 SER HA H 96 4.405 4.405 4.527 -0.122 18415 11324 1 15 . 1 1 96 96 SER C C 96 174.831 174.831 174.064 0.767 18415 11325 1 15 . 1 1 96 96 SER CA C 96 58.753 58.753 57.672 1.081 18415 11326 1 15 . 1 1 96 96 SER CB C 96 64.216 64.216 64.109 0.108 18415 11327 1 15 . 1 1 96 96 SER H H 96 8.118 8.118 8.467 -0.349 18415 11328 1 15 . 1 1 97 97 GLN N N 97 121.023 121.023 120.387 0.636 18415 11329 1 15 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.134 0.118 18415 11330 1 15 . 1 1 97 97 GLN C C 97 176.063 176.063 176.427 -0.364 18415 11331 1 15 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.547 -0.591 18415 11332 1 15 . 1 1 97 97 GLN CB C 97 29.528 29.528 29.028 0.500 18415 11333 1 15 . 1 1 97 97 GLN H H 97 8.371 8.371 7.671 0.700 18415 11334 1 15 . 1 1 98 98 GLY N N 98 110.498 110.498 113.100 -2.602 18415 11335 1 15 . 1 1 98 98 GLY C C 98 172.460 172.460 173.280 -0.820 18415 11336 1 15 . 1 1 98 98 GLY CA C 98 44.936 44.936 44.513 0.423 18415 11337 1 15 . 1 1 98 98 GLY H H 98 8.080 8.080 8.346 -0.266 18415 11338 1 15 . 1 1 99 99 GLU N N 99 119.919 119.919 118.347 1.572 18415 11339 1 15 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.852 0.419 18415 11340 1 15 . 1 1 99 99 GLU C C 99 176.605 176.605 174.989 1.616 18415 11341 1 15 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.853 -0.346 18415 11342 1 15 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.998 1.471 18415 11343 1 15 . 1 1 99 99 GLU H H 99 8.004 8.004 8.605 -0.601 18415 11344 1 15 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.162 0.118 18415 11345 1 15 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.315 1.066 18415 11346 1 15 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.388 1.529 18415 11347 1 15 . 1 1 101 101 CYS N N 101 121.118 121.118 124.490 -3.372 18415 11348 1 15 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.961 0.529 18415 11349 1 15 . 1 1 101 101 CYS CA C 101 59.338 59.338 58.025 1.313 18415 11350 1 15 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.057 13.721 18415 11351 1 15 . 1 1 101 101 CYS H H 101 9.707 9.707 9.212 0.495 18415 11352 1 15 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.324 -0.138 18415 11353 1 15 . 1 1 102 102 VAL C C 102 175.530 175.530 175.200 0.330 18415 11354 1 15 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.005 2.028 18415 11355 1 15 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.218 1.935 18415 11356 1 15 . 1 1 103 103 VAL N N 103 115.890 115.890 118.803 -2.913 18415 11357 1 15 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.979 0.369 18415 11358 1 15 . 1 1 103 103 VAL C C 103 175.136 175.136 174.432 0.704 18415 11359 1 15 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.673 -0.936 18415 11360 1 15 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.658 0.475 18415 11361 1 15 . 1 1 103 103 VAL H H 103 8.698 8.698 8.656 0.042 18415 11362 1 15 . 1 1 104 104 LEU N N 104 124.477 124.477 126.282 -1.805 18415 11363 1 15 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.079 -0.103 18415 11364 1 15 . 1 1 104 104 LEU C C 104 176.248 176.248 175.478 0.770 18415 11365 1 15 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.706 0.287 18415 11366 1 15 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.928 2.914 18415 11367 1 15 . 1 1 104 104 LEU H H 104 9.453 9.453 9.334 0.119 18415 11368 1 15 . 1 1 105 105 VAL N N 105 123.109 123.109 127.746 -4.637 18415 11369 1 15 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.672 0.343 18415 11370 1 15 . 1 1 105 105 VAL C C 105 173.635 173.635 173.624 0.011 18415 11371 1 15 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.133 2.100 18415 11372 1 15 . 1 1 105 105 VAL CB C 105 36.634 36.634 35.811 0.823 18415 11373 1 15 . 1 1 105 105 VAL H H 105 9.477 9.477 8.981 0.496 18415 11374 1 15 . 1 1 106 106 TYR N N 106 136.491 136.491 129.145 7.346 18415 11375 1 15 . 1 1 106 106 TYR HA H 106 4.465 4.465 3.702 0.763 18415 11376 1 15 . 1 1 106 106 TYR C C 106 175.009 175.009 173.825 1.184 18415 11377 1 15 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.222 -1.173 18415 11378 1 15 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.715 0.236 18415 11379 1 15 . 1 1 106 106 TYR H H 106 9.509 9.509 8.390 1.119 18415 11380 1 15 . 1 1 107 107 ASN N N 107 124.433 124.433 126.419 -1.986 18415 11381 1 15 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.488 0.062 18415 11382 1 15 . 1 1 107 107 ASN C C 107 173.919 173.919 173.875 0.044 18415 11383 1 15 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.187 -0.578 18415 11384 1 15 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.248 0.761 18415 11385 1 15 . 1 1 107 107 ASN H H 107 8.329 8.329 8.382 -0.053 18415 11386 1 15 . 1 1 108 108 GLN N N 108 119.681 119.681 122.307 -2.626 18415 11387 1 15 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.797 -0.143 18415 11388 1 15 . 1 1 108 108 GLN C C 108 175.060 175.060 174.669 0.391 18415 11389 1 15 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.532 1.074 18415 11390 1 15 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.834 -1.570 18415 11391 1 15 . 1 1 108 108 GLN H H 108 8.558 8.558 8.716 -0.158 18415 11392 1 15 . 1 1 109 109 ASP N N 109 109.712 109.712 113.054 -3.342 18415 11393 1 15 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.068 -0.091 18415 11394 1 15 . 1 1 109 109 ASP C C 109 174.354 174.354 174.928 -0.574 18415 11395 1 15 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.801 -0.602 18415 11396 1 15 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.857 -0.831 18415 11397 1 15 . 1 1 109 109 ASP H H 109 8.199 8.199 8.158 0.041 18415 11398 1 15 . 1 1 110 110 LYS N N 110 115.590 115.590 116.769 -1.179 18415 11399 1 15 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.689 -0.137 18415 11400 1 15 . 1 1 110 110 LYS C C 110 174.674 174.674 175.717 -1.043 18415 11401 1 15 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.797 0.672 18415 11402 1 15 . 1 1 110 110 LYS CB C 110 35.589 35.589 33.821 1.768 18415 11403 1 15 . 1 1 110 110 LYS H H 110 7.081 7.081 7.140 -0.059 18415 11404 1 15 . 1 1 111 111 TRP N N 111 122.248 122.248 122.678 -0.430 18415 11405 1 15 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.347 -0.274 18415 11406 1 15 . 1 1 111 111 TRP C C 111 175.920 175.920 176.462 -0.542 18415 11407 1 15 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.207 -0.018 18415 11408 1 15 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.602 0.266 18415 11409 1 15 . 1 1 111 111 TRP H H 111 8.650 8.650 8.617 0.033 18415 11410 1 15 . 1 1 112 112 ALA N N 112 124.184 124.184 124.163 0.021 18415 11411 1 15 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.821 -0.653 18415 11412 1 15 . 1 1 112 112 ALA C C 112 174.995 174.995 175.180 -0.185 18415 11413 1 15 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.571 0.744 18415 11414 1 15 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.900 -5.018 18415 11415 1 15 . 1 1 112 112 ALA H H 112 8.790 8.790 8.952 -0.162 18415 11416 1 15 . 1 1 113 113 TRP N N 113 118.725 118.725 118.686 0.039 18415 11417 1 15 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.572 0.584 18415 11418 1 15 . 1 1 113 113 TRP C C 113 177.471 177.471 176.940 0.531 18415 11419 1 15 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.695 -0.080 18415 11420 1 15 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.932 2.442 18415 11421 1 15 . 1 1 113 113 TRP H H 113 8.969 8.969 8.181 0.788 18415 11422 1 15 . 1 1 114 114 ASN N N 114 120.479 120.479 119.920 0.559 18415 11423 1 15 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.326 0.164 18415 11424 1 15 . 1 1 114 114 ASN C C 114 174.708 174.708 173.965 0.743 18415 11425 1 15 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.167 -0.409 18415 11426 1 15 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.389 -0.371 18415 11427 1 15 . 1 1 114 114 ASN H H 114 9.518 9.518 9.072 0.446 18415 11428 1 15 . 1 1 115 115 ASP N N 115 118.209 118.209 126.865 -8.656 18415 11429 1 15 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.783 1.088 18415 11430 1 15 . 1 1 115 115 ASP C C 115 174.291 174.291 175.368 -1.077 18415 11431 1 15 . 1 1 115 115 ASP CA C 115 52.187 52.187 55.706 -3.519 18415 11432 1 15 . 1 1 115 115 ASP CB C 115 40.504 40.504 40.991 -0.487 18415 11433 1 15 . 1 1 115 115 ASP H H 115 8.563 8.563 8.820 -0.257 18415 11434 1 15 . 1 1 116 116 VAL N N 116 118.669 118.669 117.017 1.652 18415 11435 1 15 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.616 0.279 18415 11436 1 15 . 1 1 116 116 VAL C C 116 172.334 172.334 173.467 -1.133 18415 11437 1 15 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.789 0.492 18415 11438 1 15 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.034 0.299 18415 11439 1 15 . 1 1 116 116 VAL H H 116 9.369 9.369 8.328 1.041 18415 11440 1 15 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.764 0.170 18415 11441 1 15 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.614 0.462 18415 11442 1 15 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.826 0.533 18415 11443 1 15 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.551 -0.101 18415 11444 1 15 . 1 1 118 118 CYS C C 118 175.583 175.583 175.524 0.059 18415 11445 1 15 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.711 -1.807 18415 11446 1 15 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.802 17.039 18415 11447 1 15 . 1 1 119 119 ASN N N 119 117.251 117.251 118.972 -1.721 18415 11448 1 15 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.804 0.109 18415 11449 1 15 . 1 1 119 119 ASN C C 119 174.849 174.849 173.826 1.023 18415 11450 1 15 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.019 0.123 18415 11451 1 15 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.464 -1.388 18415 11452 1 15 . 1 1 119 119 ASN H H 119 8.411 8.411 8.475 -0.064 18415 11453 1 15 . 1 1 120 120 PHE N N 120 123.415 123.415 125.551 -2.136 18415 11454 1 15 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.741 -0.195 18415 11455 1 15 . 1 1 120 120 PHE C C 120 173.156 173.156 173.839 -0.683 18415 11456 1 15 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.208 1.152 18415 11457 1 15 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.919 -1.470 18415 11458 1 15 . 1 1 120 120 PHE H H 120 8.097 8.097 7.998 0.099 18415 11459 1 15 . 1 1 121 121 GLU N N 121 119.143 119.143 126.264 -7.121 18415 11460 1 15 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.296 0.257 18415 11461 1 15 . 1 1 121 121 GLU C C 121 174.732 174.732 175.455 -0.723 18415 11462 1 15 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.660 -2.072 18415 11463 1 15 . 1 1 121 121 GLU CB C 121 30.420 30.420 28.851 1.569 18415 11464 1 15 . 1 1 121 121 GLU H H 121 7.012 7.012 8.364 -1.352 18415 11465 1 15 . 1 1 122 122 ALA N N 122 125.793 125.793 127.167 -1.374 18415 11466 1 15 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.573 -0.102 18415 11467 1 15 . 1 1 122 122 ALA C C 122 177.616 177.616 175.430 2.186 18415 11468 1 15 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.536 0.707 18415 11469 1 15 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.049 -1.448 18415 11470 1 15 . 1 1 122 122 ALA H H 122 8.441 8.441 8.542 -0.101 18415 11471 1 15 . 1 1 123 123 SER N N 123 115.420 115.420 113.844 1.576 18415 11472 1 15 . 1 1 123 123 SER HA H 123 4.522 4.522 5.049 -0.527 18415 11473 1 15 . 1 1 123 123 SER C C 123 172.514 172.514 174.658 -2.144 18415 11474 1 15 . 1 1 123 123 SER CA C 123 60.661 60.661 56.696 3.965 18415 11475 1 15 . 1 1 123 123 SER CB C 123 62.943 62.943 64.272 -1.329 18415 11476 1 15 . 1 1 123 123 SER H H 123 7.716 7.716 8.081 -0.365 18415 11477 1 15 . 1 1 124 124 ARG N N 124 112.529 112.529 115.624 -3.095 18415 11478 1 15 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.149 0.341 18415 11479 1 15 . 1 1 124 124 ARG C C 124 173.779 173.779 174.485 -0.706 18415 11480 1 15 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.439 0.500 18415 11481 1 15 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.935 -2.010 18415 11482 1 15 . 1 1 124 124 ARG H H 124 8.840 8.840 8.805 0.035 18415 11483 1 15 . 1 1 125 125 ILE N N 125 116.525 116.525 120.632 -4.107 18415 11484 1 15 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.849 -0.131 18415 11485 1 15 . 1 1 125 125 ILE C C 125 175.656 175.656 174.689 0.967 18415 11486 1 15 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.543 1.293 18415 11487 1 15 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.124 0.434 18415 11488 1 15 . 1 1 125 125 ILE H H 125 6.989 6.989 8.179 -1.190 18415 11489 1 15 . 1 1 126 126 CYS N N 126 123.910 123.910 127.838 -3.928 18415 11490 1 15 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.292 0.278 18415 11491 1 15 . 1 1 126 126 CYS C C 126 173.662 173.662 173.151 0.511 18415 11492 1 15 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.721 -4.881 18415 11493 1 15 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.577 9.564 18415 11494 1 15 . 1 1 126 126 CYS H H 126 8.288 8.288 9.121 -0.833 18415 11495 1 15 . 1 1 127 127 LYS N N 127 124.170 124.170 128.153 -3.983 18415 11496 1 15 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.788 -0.169 18415 11497 1 15 . 1 1 127 127 LYS C C 127 174.637 174.637 174.535 0.102 18415 11498 1 15 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.318 0.917 18415 11499 1 15 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.936 2.582 18415 11500 1 15 . 1 1 127 127 LYS H H 127 9.681 9.681 9.550 0.131 18415 11501 1 15 . 1 1 128 128 ILE N N 128 129.226 129.226 122.161 7.065 18415 11502 1 15 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.738 0.162 18415 11503 1 15 . 1 1 128 128 ILE C C 128 172.463 172.463 172.833 -0.370 18415 11504 1 15 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.286 1.098 18415 11505 1 15 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.509 1.379 18415 11506 1 15 . 1 1 128 128 ILE H H 128 9.205 9.205 9.251 -0.046 18415 11507 1 15 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.445 0.546 18415 11508 1 15 . 1 1 129 129 PRO C C 129 177.954 177.954 177.458 0.496 18415 11509 1 15 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.473 0.151 18415 11510 1 15 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.345 0.156 18415 11511 1 15 . 1 1 130 130 GLY N N 130 110.745 110.745 108.421 2.324 18415 11512 1 15 . 1 1 130 130 GLY C C 130 175.022 175.022 174.621 0.401 18415 11513 1 15 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.191 1.065 18415 11514 1 15 . 1 1 130 130 GLY H H 130 8.673 8.673 8.277 0.396 18415 11515 1 15 . 1 1 131 131 THR N N 131 112.246 112.246 116.444 -4.198 18415 11516 1 15 . 1 1 131 131 THR HA H 131 4.427 4.427 4.420 0.007 18415 11517 1 15 . 1 1 131 131 THR C C 131 175.259 175.259 175.065 0.194 18415 11518 1 15 . 1 1 131 131 THR CA C 131 61.500 61.500 61.246 0.254 18415 11519 1 15 . 1 1 131 131 THR CB C 131 69.998 69.998 68.519 1.479 18415 11520 1 15 . 1 1 131 131 THR H H 131 7.870 7.870 8.256 -0.386 18415 11521 1 15 . 1 1 132 132 THR N N 132 116.455 116.455 118.614 -2.159 18415 11522 1 15 . 1 1 132 132 THR HA H 132 4.281 4.281 3.817 0.464 18415 11523 1 15 . 1 1 132 132 THR C C 132 174.867 174.867 175.323 -0.456 18415 11524 1 15 . 1 1 132 132 THR CA C 132 62.453 62.453 66.111 -3.658 18415 11525 1 15 . 1 1 132 132 THR CB C 132 69.868 69.868 68.491 1.377 18415 11526 1 15 . 1 1 132 132 THR H H 132 8.120 8.120 7.974 0.146 18415 11527 1 15 . 1 1 133 133 LEU N N 133 124.001 124.001 118.542 5.459 18415 11528 1 15 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.026 0.236 18415 11529 1 15 . 1 1 133 133 LEU C C 133 177.365 177.365 178.683 -1.318 18415 11530 1 15 . 1 1 133 133 LEU CA C 133 55.747 55.747 58.028 -2.281 18415 11531 1 15 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.645 0.677 18415 11532 1 15 . 1 1 133 133 LEU H H 133 8.117 8.117 7.815 0.302 18415 11533 1 15 . 1 1 134 134 ASN N N 134 119.222 119.222 116.531 2.691 18415 11534 1 15 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.415 0.206 18415 11535 1 15 . 1 1 134 134 ASN C C 134 175.725 175.725 176.246 -0.521 18415 11536 1 15 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.145 -1.520 18415 11537 1 15 . 1 1 134 134 ASN CB C 134 38.836 38.836 37.855 0.981 18415 11538 1 15 . 1 1 134 134 ASN H H 134 8.325 8.325 8.312 0.013 18415 11539 1 15 . 1 1 135 135 ALA N N 135 123.649 123.649 121.919 1.730 18415 11540 1 15 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.546 -0.417 18415 11541 1 15 . 1 1 135 135 ALA C C 135 179.061 179.061 177.792 1.269 18415 11542 1 15 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.582 2.350 18415 11543 1 15 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.884 1.055 18415 11544 1 15 . 1 1 135 135 ALA H H 135 8.205 8.205 7.800 0.405 18415 11545 1 15 . 1 1 136 136 GLU N N 136 119.187 119.187 120.377 -1.190 18415 11546 1 15 . 1 1 136 136 GLU HA H 136 4.205 4.205 3.924 0.281 18415 11547 1 15 . 1 1 136 136 GLU C C 136 177.504 177.504 178.466 -0.962 18415 11548 1 15 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.677 -1.798 18415 11549 1 15 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.924 0.722 18415 11550 1 15 . 1 1 136 136 GLU H H 136 8.349 8.349 7.977 0.372 18415 11551 1 15 . 1 1 137 137 ASN N N 137 118.988 118.988 117.838 1.150 18415 11552 1 15 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.626 0.011 18415 11553 1 15 . 1 1 137 137 ASN C C 137 176.785 176.785 177.490 -0.705 18415 11554 1 15 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.188 -0.715 18415 11555 1 15 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.522 0.187 18415 11556 1 15 . 1 1 137 137 ASN H H 137 8.259 8.259 8.322 -0.063 18415 11557 1 15 . 1 1 138 138 LEU N N 138 121.438 121.438 121.132 0.306 18415 11558 1 15 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.065 0.070 18415 11559 1 15 . 1 1 138 138 LEU C C 138 178.872 178.872 178.862 0.010 18415 11560 1 15 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.858 -0.931 18415 11561 1 15 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.181 0.820 18415 11562 1 15 . 1 1 138 138 LEU H H 138 8.084 8.084 7.739 0.345 18415 11563 1 15 . 1 1 139 139 TYR N N 139 120.558 120.558 120.068 0.490 18415 11564 1 15 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.235 0.051 18415 11565 1 15 . 1 1 139 139 TYR C C 139 177.587 177.587 178.057 -0.470 18415 11566 1 15 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.322 -1.177 18415 11567 1 15 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.609 -0.243 18415 11568 1 15 . 1 1 139 139 TYR H H 139 8.130 8.130 8.719 -0.589 18415 11569 1 15 . 1 1 140 140 PHE N N 140 120.508 120.508 120.652 -0.144 18415 11570 1 15 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.183 0.172 18415 11571 1 15 . 1 1 140 140 PHE C C 140 177.425 177.425 176.407 1.018 18415 11572 1 15 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.498 -0.868 18415 11573 1 15 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.184 0.067 18415 11574 1 15 . 1 1 140 140 PHE H H 140 8.275 8.275 8.135 0.140 18415 11575 1 15 . 1 1 141 141 GLN N N 141 119.274 119.274 117.166 2.108 18415 11576 1 15 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.195 -0.082 18415 11577 1 15 . 1 1 141 141 GLN C C 141 176.976 176.976 175.693 1.283 18415 11578 1 15 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.116 1.247 18415 11579 1 15 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.274 -0.246 18415 11580 1 15 . 1 1 141 141 GLN H H 141 8.250 8.250 7.782 0.468 18415 11581 1 16 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.366 -0.579 18415 11582 1 16 . 1 1 2 2 VAL C C 2 172.250 172.250 173.109 -0.859 18415 11583 1 16 . 1 1 2 2 VAL CA C 2 61.294 61.294 60.989 0.305 18415 11584 1 16 . 1 1 2 2 VAL CB C 2 33.708 33.708 34.187 -0.479 18415 11585 1 16 . 1 1 3 3 CYS N N 3 121.988 121.988 120.229 1.759 18415 11586 1 16 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.876 0.329 18415 11587 1 16 . 1 1 3 3 CYS C C 3 171.993 171.993 172.360 -0.367 18415 11588 1 16 . 1 1 3 3 CYS CA C 3 52.044 52.044 55.536 -3.492 18415 11589 1 16 . 1 1 3 3 CYS CB C 3 39.461 39.461 27.762 11.699 18415 11590 1 16 . 1 1 3 3 CYS H H 3 8.628 8.628 8.327 0.301 18415 11591 1 16 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.915 -0.092 18415 11592 1 16 . 1 1 5 5 ILE C C 5 176.622 176.622 175.084 1.538 18415 11593 1 16 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.775 0.525 18415 11594 1 16 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.297 0.747 18415 11595 1 16 . 1 1 6 6 ASP N N 6 117.894 117.894 128.556 -10.662 18415 11596 1 16 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.750 -0.406 18415 11597 1 16 . 1 1 6 6 ASP H H 6 8.606 8.606 8.334 0.272 18415 11598 1 16 . 1 1 7 7 TRP N N 7 120.564 120.564 121.496 -0.932 18415 11599 1 16 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.794 -0.104 18415 11600 1 16 . 1 1 7 7 TRP C C 7 176.415 176.415 176.140 0.275 18415 11601 1 16 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.220 0.818 18415 11602 1 16 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.457 -0.686 18415 11603 1 16 . 1 1 7 7 TRP H H 7 8.208 8.208 7.888 0.320 18415 11604 1 16 . 1 1 8 8 ARG N N 8 119.872 119.872 125.529 -5.657 18415 11605 1 16 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.326 0.360 18415 11606 1 16 . 1 1 8 8 ARG C C 8 176.146 176.146 175.894 0.252 18415 11607 1 16 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.852 -0.911 18415 11608 1 16 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.965 1.598 18415 11609 1 16 . 1 1 8 8 ARG H H 8 9.456 9.456 8.595 0.861 18415 11610 1 16 . 1 1 9 9 ALA N N 9 127.265 127.265 130.805 -3.540 18415 11611 1 16 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.769 0.622 18415 11612 1 16 . 1 1 9 9 ALA C C 9 176.927 176.927 176.400 0.527 18415 11613 1 16 . 1 1 9 9 ALA CA C 9 52.010 52.010 52.298 -0.288 18415 11614 1 16 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.597 3.066 18415 11615 1 16 . 1 1 9 9 ALA H H 9 8.819 8.819 8.261 0.558 18415 11616 1 16 . 1 1 10 10 PHE N N 10 120.450 120.450 126.242 -5.792 18415 11617 1 16 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.795 -0.601 18415 11618 1 16 . 1 1 10 10 PHE C C 10 174.606 174.606 174.909 -0.303 18415 11619 1 16 . 1 1 10 10 PHE CA C 10 58.526 58.526 58.306 0.220 18415 11620 1 16 . 1 1 10 10 PHE CB C 10 40.861 40.861 42.657 -1.796 18415 11621 1 16 . 1 1 10 10 PHE H H 10 8.202 8.202 9.282 -1.080 18415 11622 1 16 . 1 1 11 11 GLN N N 11 126.391 126.391 124.329 2.062 18415 11623 1 16 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.587 -0.126 18415 11624 1 16 . 1 1 11 11 GLN C C 11 175.859 175.859 175.746 0.113 18415 11625 1 16 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.979 -0.727 18415 11626 1 16 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.503 -1.541 18415 11627 1 16 . 1 1 11 11 GLN H H 11 8.872 8.872 8.598 0.274 18415 11628 1 16 . 1 1 12 12 SER N N 12 113.087 113.087 113.573 -0.486 18415 11629 1 16 . 1 1 12 12 SER HA H 12 4.252 4.252 4.580 -0.328 18415 11630 1 16 . 1 1 12 12 SER C C 12 173.339 173.339 172.565 0.774 18415 11631 1 16 . 1 1 12 12 SER CA C 12 59.795 59.795 58.360 1.435 18415 11632 1 16 . 1 1 12 12 SER CB C 12 62.943 62.943 65.753 -2.810 18415 11633 1 16 . 1 1 12 12 SER H H 12 8.189 8.189 8.165 0.024 18415 11634 1 16 . 1 1 13 13 ASN N N 13 118.336 118.336 119.353 -1.017 18415 11635 1 16 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.992 0.264 18415 11636 1 16 . 1 1 13 13 ASN C C 13 174.330 174.330 173.045 1.285 18415 11637 1 16 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.326 0.016 18415 11638 1 16 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.405 1.053 18415 11639 1 16 . 1 1 13 13 ASN H H 13 8.242 8.242 8.099 0.143 18415 11640 1 16 . 1 1 14 14 CYS N N 14 118.315 118.315 117.772 0.543 18415 11641 1 16 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.067 0.794 18415 11642 1 16 . 1 1 14 14 CYS C C 14 174.314 174.314 173.390 0.924 18415 11643 1 16 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.044 -4.359 18415 11644 1 16 . 1 1 14 14 CYS CB C 14 44.019 44.019 28.267 15.752 18415 11645 1 16 . 1 1 14 14 CYS H H 14 8.592 8.592 8.896 -0.304 18415 11646 1 16 . 1 1 15 15 TYR N N 15 121.588 121.588 122.313 -0.725 18415 11647 1 16 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.248 0.529 18415 11648 1 16 . 1 1 15 15 TYR C C 15 176.333 176.333 174.710 1.623 18415 11649 1 16 . 1 1 15 15 TYR CA C 15 57.616 57.616 56.013 1.603 18415 11650 1 16 . 1 1 15 15 TYR CB C 15 44.583 44.583 40.249 4.333 18415 11651 1 16 . 1 1 15 15 TYR H H 15 9.947 9.947 9.498 0.449 18415 11652 1 16 . 1 1 16 16 PHE N N 16 121.989 121.989 124.859 -2.870 18415 11653 1 16 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.860 0.051 18415 11654 1 16 . 1 1 16 16 PHE C C 16 172.937 172.937 172.836 0.101 18415 11655 1 16 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.911 -0.513 18415 11656 1 16 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.098 -2.028 18415 11657 1 16 . 1 1 16 16 PHE H H 16 8.717 8.717 9.348 -0.631 18415 11658 1 16 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.372 0.744 18415 11659 1 16 . 1 1 17 17 PRO C C 17 175.445 175.445 175.048 0.397 18415 11660 1 16 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.922 -0.434 18415 11661 1 16 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.665 0.326 18415 11662 1 16 . 1 1 18 18 LEU N N 18 126.062 126.062 126.373 -0.311 18415 11663 1 16 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.439 0.242 18415 11664 1 16 . 1 1 18 18 LEU C C 18 177.391 177.391 178.098 -0.707 18415 11665 1 16 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.837 1.524 18415 11666 1 16 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.169 2.313 18415 11667 1 16 . 1 1 18 18 LEU H H 18 9.054 9.054 9.021 0.033 18415 11668 1 16 . 1 1 19 19 THR N N 19 109.256 109.256 113.134 -3.878 18415 11669 1 16 . 1 1 19 19 THR HA H 19 4.612 4.612 4.205 0.407 18415 11670 1 16 . 1 1 19 19 THR C C 19 175.613 175.613 174.549 1.064 18415 11671 1 16 . 1 1 19 19 THR CA C 19 62.236 62.236 62.500 -0.264 18415 11672 1 16 . 1 1 19 19 THR CB C 19 69.530 69.530 68.954 0.576 18415 11673 1 16 . 1 1 19 19 THR H H 19 8.303 8.303 8.675 -0.372 18415 11674 1 16 . 1 1 20 20 ASP N N 20 121.645 121.645 122.482 -0.837 18415 11675 1 16 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.539 -0.082 18415 11676 1 16 . 1 1 20 20 ASP C C 20 174.684 174.684 175.325 -0.641 18415 11677 1 16 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.705 -0.587 18415 11678 1 16 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.048 -1.979 18415 11679 1 16 . 1 1 20 20 ASP H H 20 8.834 8.834 7.952 0.882 18415 11680 1 16 . 1 1 21 21 ASN N N 21 118.648 118.648 119.401 -0.753 18415 11681 1 16 . 1 1 21 21 ASN HA H 21 4.646 4.646 5.206 -0.560 18415 11682 1 16 . 1 1 21 21 ASN C C 21 176.542 176.542 174.956 1.586 18415 11683 1 16 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.423 1.029 18415 11684 1 16 . 1 1 21 21 ASN CB C 21 39.453 39.453 39.502 -0.049 18415 11685 1 16 . 1 1 21 21 ASN H H 21 8.113 8.113 8.511 -0.398 18415 11686 1 16 . 1 1 22 22 LYS N N 22 122.470 122.470 124.096 -1.626 18415 11687 1 16 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.681 0.175 18415 11688 1 16 . 1 1 22 22 LYS C C 22 176.711 176.711 175.199 1.512 18415 11689 1 16 . 1 1 22 22 LYS CA C 22 55.665 55.665 55.313 0.352 18415 11690 1 16 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.516 2.023 18415 11691 1 16 . 1 1 22 22 LYS H H 22 8.794 8.794 8.709 0.085 18415 11692 1 16 . 1 1 23 23 THR N N 23 109.009 109.009 113.961 -4.952 18415 11693 1 16 . 1 1 23 23 THR HA H 23 5.647 5.647 4.565 1.082 18415 11694 1 16 . 1 1 23 23 THR C C 23 178.411 178.411 175.752 2.659 18415 11695 1 16 . 1 1 23 23 THR CA C 23 61.773 61.773 61.390 0.383 18415 11696 1 16 . 1 1 23 23 THR CB C 23 71.820 71.820 69.544 2.276 18415 11697 1 16 . 1 1 23 23 THR H H 23 8.250 8.250 8.147 0.103 18415 11698 1 16 . 1 1 24 24 TRP N N 24 126.345 126.345 124.373 1.972 18415 11699 1 16 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.564 -0.534 18415 11700 1 16 . 1 1 24 24 TRP C C 24 178.204 178.204 176.838 1.366 18415 11701 1 16 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.330 2.251 18415 11702 1 16 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.195 1.459 18415 11703 1 16 . 1 1 24 24 TRP H H 24 8.279 8.279 8.160 0.119 18415 11704 1 16 . 1 1 25 25 ALA N N 25 119.965 119.965 121.252 -1.287 18415 11705 1 16 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.817 0.131 18415 11706 1 16 . 1 1 25 25 ALA C C 25 182.089 182.089 179.576 2.513 18415 11707 1 16 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.065 0.825 18415 11708 1 16 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.084 0.171 18415 11709 1 16 . 1 1 25 25 ALA H H 25 9.634 9.634 7.815 1.819 18415 11710 1 16 . 1 1 26 26 GLU N N 26 116.492 116.492 118.458 -1.966 18415 11711 1 16 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.956 0.107 18415 11712 1 16 . 1 1 26 26 GLU C C 26 179.756 179.756 179.190 0.566 18415 11713 1 16 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.776 -0.481 18415 11714 1 16 . 1 1 26 26 GLU CB C 26 30.483 30.483 28.998 1.485 18415 11715 1 16 . 1 1 26 26 GLU H H 26 7.392 7.392 7.849 -0.457 18415 11716 1 16 . 1 1 27 27 SER N N 27 121.197 121.197 115.803 5.394 18415 11717 1 16 . 1 1 27 27 SER HA H 27 3.855 3.855 4.050 -0.195 18415 11718 1 16 . 1 1 27 27 SER C C 27 174.299 174.299 176.256 -1.957 18415 11719 1 16 . 1 1 27 27 SER CA C 27 63.344 63.344 62.596 0.748 18415 11720 1 16 . 1 1 27 27 SER CB C 27 62.329 62.329 62.687 -0.358 18415 11721 1 16 . 1 1 27 27 SER H H 27 8.596 8.596 8.530 0.066 18415 11722 1 16 . 1 1 28 28 GLU N N 28 124.173 124.173 121.287 2.886 18415 11723 1 16 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.831 0.437 18415 11724 1 16 . 1 1 28 28 GLU C C 28 178.856 178.856 178.328 0.528 18415 11725 1 16 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.573 -0.374 18415 11726 1 16 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.059 -2.159 18415 11727 1 16 . 1 1 28 28 GLU H H 28 8.133 8.133 7.770 0.363 18415 11728 1 16 . 1 1 29 29 ARG N N 29 120.498 120.498 118.507 1.991 18415 11729 1 16 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.073 -0.030 18415 11730 1 16 . 1 1 29 29 ARG C C 29 179.339 179.339 178.794 0.545 18415 11731 1 16 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.239 0.452 18415 11732 1 16 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.349 -0.114 18415 11733 1 16 . 1 1 29 29 ARG H H 29 7.962 7.962 7.742 0.220 18415 11734 1 16 . 1 1 30 30 ASN N N 30 119.000 119.000 117.756 1.244 18415 11735 1 16 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.513 -0.066 18415 11736 1 16 . 1 1 30 30 ASN C C 30 178.153 178.153 175.766 2.387 18415 11737 1 16 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.227 2.423 18415 11738 1 16 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.111 1.325 18415 11739 1 16 . 1 1 30 30 ASN H H 30 7.960 7.960 8.179 -0.219 18415 11740 1 16 . 1 1 31 31 CYS N N 31 116.301 116.301 115.476 0.825 18415 11741 1 16 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.552 -0.071 18415 11742 1 16 . 1 1 31 31 CYS C C 31 178.072 178.072 175.914 2.158 18415 11743 1 16 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.408 -3.998 18415 11744 1 16 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.586 6.123 18415 11745 1 16 . 1 1 31 31 CYS H H 31 8.477 8.477 7.858 0.619 18415 11746 1 16 . 1 1 32 32 SER N N 32 119.834 119.834 114.485 5.349 18415 11747 1 16 . 1 1 32 32 SER HA H 32 4.700 4.700 3.918 0.782 18415 11748 1 16 . 1 1 32 32 SER C C 32 179.062 179.062 176.632 2.430 18415 11749 1 16 . 1 1 32 32 SER CA C 32 61.663 61.663 60.719 0.944 18415 11750 1 16 . 1 1 32 32 SER CB C 32 62.655 62.655 61.687 0.968 18415 11751 1 16 . 1 1 32 32 SER H H 32 9.206 9.206 8.965 0.241 18415 11752 1 16 . 1 1 33 33 GLY N N 33 111.632 111.632 109.958 1.674 18415 11753 1 16 . 1 1 33 33 GLY C C 33 174.861 174.861 174.873 -0.012 18415 11754 1 16 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.270 -0.603 18415 11755 1 16 . 1 1 33 33 GLY H H 33 8.053 8.053 8.329 -0.276 18415 11756 1 16 . 1 1 34 34 MET N N 34 116.998 116.998 118.607 -1.609 18415 11757 1 16 . 1 1 34 34 MET HA H 34 4.596 4.596 4.572 0.024 18415 11758 1 16 . 1 1 34 34 MET C C 34 175.356 175.356 176.335 -0.979 18415 11759 1 16 . 1 1 34 34 MET CA C 34 54.887 54.887 54.549 0.338 18415 11760 1 16 . 1 1 34 34 MET CB C 34 33.959 33.959 32.501 1.458 18415 11761 1 16 . 1 1 34 34 MET H H 34 7.441 7.441 7.654 -0.213 18415 11762 1 16 . 1 1 35 35 GLY N N 35 106.474 106.474 106.499 -0.025 18415 11763 1 16 . 1 1 35 35 GLY C C 35 173.112 173.112 173.345 -0.233 18415 11764 1 16 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.294 0.108 18415 11765 1 16 . 1 1 35 35 GLY H H 35 7.807 7.807 7.828 -0.021 18415 11766 1 16 . 1 1 36 36 ALA N N 36 121.833 121.833 122.157 -0.324 18415 11767 1 16 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.498 0.204 18415 11768 1 16 . 1 1 36 36 ALA C C 36 174.285 174.285 175.278 -0.993 18415 11769 1 16 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.774 -1.053 18415 11770 1 16 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.526 3.136 18415 11771 1 16 . 1 1 36 36 ALA H H 36 7.693 7.693 7.368 0.325 18415 11772 1 16 . 1 1 37 37 HIS N N 37 111.683 111.683 113.851 -2.168 18415 11773 1 16 . 1 1 37 37 HIS HA H 37 5.131 5.131 4.979 0.152 18415 11774 1 16 . 1 1 37 37 HIS C C 37 175.351 175.351 174.727 0.624 18415 11775 1 16 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.264 -0.691 18415 11776 1 16 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.134 0.837 18415 11777 1 16 . 1 1 37 37 HIS H H 37 8.078 8.078 8.976 -0.898 18415 11778 1 16 . 1 1 38 38 LEU N N 38 123.260 123.260 120.945 2.315 18415 11779 1 16 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.656 0.117 18415 11780 1 16 . 1 1 38 38 LEU C C 38 179.180 179.180 178.451 0.729 18415 11781 1 16 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.586 0.780 18415 11782 1 16 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.404 1.252 18415 11783 1 16 . 1 1 38 38 LEU H H 38 9.964 9.964 8.891 1.073 18415 11784 1 16 . 1 1 39 39 MET N N 39 119.511 119.511 122.521 -3.010 18415 11785 1 16 . 1 1 39 39 MET HA H 39 3.855 3.855 4.491 -0.636 18415 11786 1 16 . 1 1 39 39 MET C C 39 174.874 174.874 175.284 -0.410 18415 11787 1 16 . 1 1 39 39 MET CA C 39 58.789 58.789 55.605 3.184 18415 11788 1 16 . 1 1 39 39 MET CB C 39 34.405 34.405 32.045 2.360 18415 11789 1 16 . 1 1 39 39 MET H H 39 8.409 8.409 8.810 -0.401 18415 11790 1 16 . 1 1 40 40 THR N N 40 123.771 123.771 119.872 3.899 18415 11791 1 16 . 1 1 40 40 THR HA H 40 4.013 4.013 4.488 -0.475 18415 11792 1 16 . 1 1 40 40 THR C C 40 172.936 172.936 173.745 -0.809 18415 11793 1 16 . 1 1 40 40 THR CA C 40 59.869 59.869 59.467 0.403 18415 11794 1 16 . 1 1 40 40 THR CB C 40 70.587 70.587 69.541 1.046 18415 11795 1 16 . 1 1 40 40 THR H H 40 6.822 6.822 8.102 -1.280 18415 11796 1 16 . 1 1 41 41 ILE HA H 41 4.249 4.249 3.810 0.439 18415 11797 1 16 . 1 1 41 41 ILE C C 41 174.349 174.349 175.160 -0.811 18415 11798 1 16 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.026 -2.269 18415 11799 1 16 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.994 1.577 18415 11800 1 16 . 1 1 42 42 SER N N 42 122.113 122.113 121.080 1.033 18415 11801 1 16 . 1 1 42 42 SER HA H 42 4.647 4.647 4.334 0.313 18415 11802 1 16 . 1 1 42 42 SER C C 42 174.502 174.502 174.713 -0.211 18415 11803 1 16 . 1 1 42 42 SER CA C 42 59.768 59.768 60.215 -0.447 18415 11804 1 16 . 1 1 42 42 SER CB C 42 64.720 64.720 64.376 0.344 18415 11805 1 16 . 1 1 42 42 SER H H 42 9.230 9.230 8.293 0.937 18415 11806 1 16 . 1 1 43 43 THR N N 43 108.516 108.516 111.551 -3.035 18415 11807 1 16 . 1 1 43 43 THR HA H 43 4.807 4.807 4.714 0.093 18415 11808 1 16 . 1 1 43 43 THR C C 43 173.812 173.812 174.820 -1.008 18415 11809 1 16 . 1 1 43 43 THR CA C 43 59.249 59.249 59.763 -0.514 18415 11810 1 16 . 1 1 43 43 THR CB C 43 73.128 73.128 72.136 0.992 18415 11811 1 16 . 1 1 43 43 THR H H 43 7.559 7.559 8.180 -0.621 18415 11812 1 16 . 1 1 44 44 GLU N N 44 123.057 123.057 122.392 0.665 18415 11813 1 16 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.111 -0.662 18415 11814 1 16 . 1 1 44 44 GLU C C 44 178.262 178.262 177.859 0.403 18415 11815 1 16 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.978 -1.649 18415 11816 1 16 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.340 0.102 18415 11817 1 16 . 1 1 44 44 GLU H H 44 9.377 9.377 9.035 0.342 18415 11818 1 16 . 1 1 45 45 ALA N N 45 119.910 119.910 122.142 -2.232 18415 11819 1 16 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.399 -0.349 18415 11820 1 16 . 1 1 45 45 ALA C C 45 180.096 180.096 179.979 0.117 18415 11821 1 16 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.074 0.106 18415 11822 1 16 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.472 -0.205 18415 11823 1 16 . 1 1 45 45 ALA H H 45 8.328 8.328 7.692 0.636 18415 11824 1 16 . 1 1 46 46 GLU N N 46 118.861 118.861 118.981 -0.120 18415 11825 1 16 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.550 0.062 18415 11826 1 16 . 1 1 46 46 GLU C C 46 177.452 177.452 178.865 -1.413 18415 11827 1 16 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.998 -0.714 18415 11828 1 16 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.023 1.490 18415 11829 1 16 . 1 1 46 46 GLU H H 46 7.852 7.852 7.785 0.067 18415 11830 1 16 . 1 1 47 47 GLN N N 47 119.473 119.473 118.212 1.261 18415 11831 1 16 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.901 -0.214 18415 11832 1 16 . 1 1 47 47 GLN C C 47 176.429 176.429 178.213 -1.784 18415 11833 1 16 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.767 1.141 18415 11834 1 16 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.365 1.611 18415 11835 1 16 . 1 1 47 47 GLN H H 47 7.054 7.054 7.717 -0.663 18415 11836 1 16 . 1 1 48 48 ASN N N 48 115.182 115.182 117.023 -1.841 18415 11837 1 16 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.223 -0.010 18415 11838 1 16 . 1 1 48 48 ASN C C 48 176.986 176.986 177.549 -0.563 18415 11839 1 16 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.188 -1.159 18415 11840 1 16 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.523 -0.966 18415 11841 1 16 . 1 1 48 48 ASN H H 48 8.416 8.416 8.157 0.259 18415 11842 1 16 . 1 1 49 49 PHE N N 49 118.413 118.413 116.612 1.801 18415 11843 1 16 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.373 -0.394 18415 11844 1 16 . 1 1 49 49 PHE C C 49 177.254 177.254 177.879 -0.625 18415 11845 1 16 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.777 -0.615 18415 11846 1 16 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.157 -1.073 18415 11847 1 16 . 1 1 49 49 PHE H H 49 7.473 7.473 8.199 -0.726 18415 11848 1 16 . 1 1 50 50 ILE N N 50 117.601 117.601 121.981 -4.380 18415 11849 1 16 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.828 -0.287 18415 11850 1 16 . 1 1 50 50 ILE C C 50 176.891 176.891 176.425 0.466 18415 11851 1 16 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.444 -2.792 18415 11852 1 16 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.811 1.398 18415 11853 1 16 . 1 1 50 50 ILE H H 50 7.020 7.020 8.031 -1.011 18415 11854 1 16 . 1 1 51 51 ILE N N 51 114.824 114.824 115.402 -0.578 18415 11855 1 16 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.021 -0.128 18415 11856 1 16 . 1 1 51 51 ILE C C 51 177.092 177.092 176.646 0.446 18415 11857 1 16 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.020 1.184 18415 11858 1 16 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.396 0.524 18415 11859 1 16 . 1 1 51 51 ILE H H 51 7.216 7.216 7.239 -0.023 18415 11860 1 16 . 1 1 52 52 GLN N N 52 116.767 116.767 118.557 -1.790 18415 11861 1 16 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.896 -0.126 18415 11862 1 16 . 1 1 52 52 GLN C C 52 176.442 176.442 177.330 -0.888 18415 11863 1 16 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.913 -0.643 18415 11864 1 16 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.658 0.362 18415 11865 1 16 . 1 1 52 52 GLN H H 52 6.416 6.416 7.163 -0.747 18415 11866 1 16 . 1 1 53 53 PHE N N 53 115.400 115.400 116.341 -0.941 18415 11867 1 16 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.393 0.184 18415 11868 1 16 . 1 1 53 53 PHE C C 53 174.993 174.993 176.142 -1.149 18415 11869 1 16 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.881 -1.986 18415 11870 1 16 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.709 -0.175 18415 11871 1 16 . 1 1 53 53 PHE H H 53 7.216 7.216 7.199 0.017 18415 11872 1 16 . 1 1 54 54 LEU N N 54 118.096 118.096 119.998 -1.902 18415 11873 1 16 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.874 0.217 18415 11874 1 16 . 1 1 54 54 LEU C C 54 175.467 175.467 176.013 -0.546 18415 11875 1 16 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.282 -0.711 18415 11876 1 16 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.450 0.258 18415 11877 1 16 . 1 1 54 54 LEU H H 54 6.668 6.668 7.182 -0.514 18415 11878 1 16 . 1 1 55 55 ASP N N 55 123.723 123.723 122.551 1.172 18415 11879 1 16 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.743 0.072 18415 11880 1 16 . 1 1 55 55 ASP C C 55 177.896 177.896 177.351 0.545 18415 11881 1 16 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.232 -1.134 18415 11882 1 16 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.999 -0.337 18415 11883 1 16 . 1 1 55 55 ASP H H 55 8.687 8.687 8.347 0.340 18415 11884 1 16 . 1 1 56 56 ARG N N 56 124.370 124.370 124.804 -0.434 18415 11885 1 16 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.560 -0.250 18415 11886 1 16 . 1 1 56 56 ARG C C 56 178.201 178.201 176.880 1.321 18415 11887 1 16 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.241 1.717 18415 11888 1 16 . 1 1 56 56 ARG CB C 56 30.578 30.578 29.551 1.027 18415 11889 1 16 . 1 1 56 56 ARG H H 56 8.758 8.758 8.866 -0.108 18415 11890 1 16 . 1 1 57 57 ARG N N 57 120.411 120.411 117.119 3.292 18415 11891 1 16 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.343 -0.049 18415 11892 1 16 . 1 1 57 57 ARG C C 57 177.064 177.064 175.808 1.256 18415 11893 1 16 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.528 1.004 18415 11894 1 16 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.501 -0.809 18415 11895 1 16 . 1 1 57 57 ARG H H 57 9.150 9.150 8.345 0.805 18415 11896 1 16 . 1 1 58 58 LEU N N 58 119.445 119.445 122.423 -2.978 18415 11897 1 16 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.490 0.214 18415 11898 1 16 . 1 1 58 58 LEU C C 58 176.450 176.450 176.051 0.399 18415 11899 1 16 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.522 0.757 18415 11900 1 16 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.177 0.081 18415 11901 1 16 . 1 1 58 58 LEU H H 58 8.328 8.328 7.605 0.723 18415 11902 1 16 . 1 1 59 59 SER N N 59 116.536 116.536 116.399 0.137 18415 11903 1 16 . 1 1 59 59 SER HA H 59 5.505 5.505 5.151 0.354 18415 11904 1 16 . 1 1 59 59 SER C C 59 173.263 173.263 173.398 -0.135 18415 11905 1 16 . 1 1 59 59 SER CA C 59 57.199 57.199 57.139 0.060 18415 11906 1 16 . 1 1 59 59 SER CB C 59 65.064 65.064 64.428 0.636 18415 11907 1 16 . 1 1 59 59 SER H H 59 8.470 8.470 8.433 0.037 18415 11908 1 16 . 1 1 60 60 TYR N N 60 120.274 120.274 123.772 -3.498 18415 11909 1 16 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.874 -0.597 18415 11910 1 16 . 1 1 60 60 TYR C C 60 175.560 175.560 175.941 -0.381 18415 11911 1 16 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.853 -0.381 18415 11912 1 16 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.386 2.121 18415 11913 1 16 . 1 1 60 60 TYR H H 60 8.897 8.897 9.112 -0.215 18415 11914 1 16 . 1 1 61 61 PHE N N 61 123.635 123.635 122.590 1.045 18415 11915 1 16 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.594 0.694 18415 11916 1 16 . 1 1 61 61 PHE C C 61 175.433 175.433 175.670 -0.237 18415 11917 1 16 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.171 -0.096 18415 11918 1 16 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.393 1.476 18415 11919 1 16 . 1 1 61 61 PHE H H 61 9.521 9.521 9.242 0.279 18415 11920 1 16 . 1 1 62 62 LEU N N 62 114.382 114.382 121.550 -7.168 18415 11921 1 16 . 1 1 62 62 LEU HA H 62 5.073 5.073 5.003 0.070 18415 11922 1 16 . 1 1 62 62 LEU C C 62 179.521 179.521 177.729 1.792 18415 11923 1 16 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.666 -1.883 18415 11924 1 16 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.290 1.986 18415 11925 1 16 . 1 1 62 62 LEU H H 62 8.394 8.394 8.940 -0.546 18415 11926 1 16 . 1 1 63 63 GLY N N 63 106.675 106.675 108.225 -1.550 18415 11927 1 16 . 1 1 63 63 GLY C C 63 172.404 172.404 173.358 -0.954 18415 11928 1 16 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.367 3.026 18415 11929 1 16 . 1 1 63 63 GLY H H 63 9.253 9.253 9.392 -0.139 18415 11930 1 16 . 1 1 64 64 LEU N N 64 124.754 124.754 122.536 2.218 18415 11931 1 16 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.360 0.224 18415 11932 1 16 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.745 0.557 18415 11933 1 16 . 1 1 64 64 LEU CB C 64 43.272 43.272 41.923 1.349 18415 11934 1 16 . 1 1 64 64 LEU H H 64 6.840 6.840 7.737 -0.897 18415 11935 1 16 . 1 1 65 65 ARG N N 65 124.476 124.476 127.413 -2.937 18415 11936 1 16 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.108 1.052 18415 11937 1 16 . 1 1 65 65 ARG C C 65 174.245 174.245 174.298 -0.053 18415 11938 1 16 . 1 1 65 65 ARG CA C 65 54.904 54.904 55.153 -0.249 18415 11939 1 16 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.134 2.397 18415 11940 1 16 . 1 1 65 65 ARG H H 65 8.218 8.218 8.508 -0.290 18415 11941 1 16 . 1 1 66 66 ASP N N 66 126.754 126.754 125.739 1.015 18415 11942 1 16 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.213 0.216 18415 11943 1 16 . 1 1 66 66 ASP C C 66 176.516 176.516 174.564 1.952 18415 11944 1 16 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.855 -1.001 18415 11945 1 16 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.092 -3.324 18415 11946 1 16 . 1 1 66 66 ASP H H 66 8.756 8.756 7.662 1.094 18415 11947 1 16 . 1 1 67 67 GLU N N 67 123.390 123.390 123.914 -0.524 18415 11948 1 16 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.517 -0.741 18415 11949 1 16 . 1 1 67 67 GLU C C 67 175.648 175.648 175.547 0.101 18415 11950 1 16 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.230 3.619 18415 11951 1 16 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.139 0.177 18415 11952 1 16 . 1 1 67 67 GLU H H 67 8.488 8.488 7.945 0.543 18415 11953 1 16 . 1 1 68 68 ASN N N 68 114.882 114.882 122.936 -8.054 18415 11954 1 16 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.550 0.114 18415 11955 1 16 . 1 1 68 68 ASN C C 68 174.482 174.482 174.279 0.203 18415 11956 1 16 . 1 1 68 68 ASN CA C 68 52.914 52.914 55.834 -2.920 18415 11957 1 16 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.862 1.550 18415 11958 1 16 . 1 1 68 68 ASN H H 68 8.336 8.336 8.668 -0.332 18415 11959 1 16 . 1 1 69 69 ALA N N 69 118.915 118.915 116.875 2.040 18415 11960 1 16 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.327 -0.453 18415 11961 1 16 . 1 1 69 69 ALA C C 69 177.082 177.082 175.658 1.424 18415 11962 1 16 . 1 1 69 69 ALA CA C 69 53.632 53.632 52.122 1.510 18415 11963 1 16 . 1 1 69 69 ALA CB C 69 17.171 17.171 20.247 -3.076 18415 11964 1 16 . 1 1 69 69 ALA H H 69 7.444 7.444 7.915 -0.471 18415 11965 1 16 . 1 1 70 70 LYS N N 70 117.439 117.439 122.060 -4.621 18415 11966 1 16 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.134 0.184 18415 11967 1 16 . 1 1 70 70 LYS C C 70 177.726 177.726 176.766 0.960 18415 11968 1 16 . 1 1 70 70 LYS CA C 70 55.423 55.423 55.776 -0.353 18415 11969 1 16 . 1 1 70 70 LYS CB C 70 32.736 32.736 31.234 1.502 18415 11970 1 16 . 1 1 70 70 LYS H H 70 7.925 7.925 7.882 0.043 18415 11971 1 16 . 1 1 71 71 GLY C C 71 175.127 175.127 174.012 1.115 18415 11972 1 16 . 1 1 71 71 GLY CA C 71 45.674 45.674 44.971 0.703 18415 11973 1 16 . 1 1 72 72 GLN N N 72 124.084 124.084 122.467 1.617 18415 11974 1 16 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.433 -0.042 18415 11975 1 16 . 1 1 72 72 GLN C C 72 174.283 174.283 174.697 -0.414 18415 11976 1 16 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.661 -0.504 18415 11977 1 16 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.908 -1.275 18415 11978 1 16 . 1 1 72 72 GLN H H 72 7.749 7.749 7.848 -0.099 18415 11979 1 16 . 1 1 73 73 TRP N N 73 121.803 121.803 123.887 -2.084 18415 11980 1 16 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.469 -0.564 18415 11981 1 16 . 1 1 73 73 TRP C C 73 175.776 175.776 176.116 -0.340 18415 11982 1 16 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.374 -0.553 18415 11983 1 16 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.900 -0.024 18415 11984 1 16 . 1 1 73 73 TRP H H 73 6.599 6.599 7.939 -1.340 18415 11985 1 16 . 1 1 74 74 ARG N N 74 119.549 119.549 121.221 -1.672 18415 11986 1 16 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.603 0.103 18415 11987 1 16 . 1 1 74 74 ARG C C 74 176.980 176.980 174.584 2.396 18415 11988 1 16 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.292 0.041 18415 11989 1 16 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.609 0.014 18415 11990 1 16 . 1 1 74 74 ARG H H 74 8.443 8.443 7.813 0.630 18415 11991 1 16 . 1 1 75 75 TRP N N 75 125.690 125.690 123.178 2.512 18415 11992 1 16 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.289 0.138 18415 11993 1 16 . 1 1 75 75 TRP C C 75 180.474 180.474 176.588 3.886 18415 11994 1 16 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.349 -1.583 18415 11995 1 16 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.430 0.600 18415 11996 1 16 . 1 1 75 75 TRP H H 75 9.052 9.052 8.307 0.745 18415 11997 1 16 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.877 0.401 18415 11998 1 16 . 1 1 76 76 VAL C C 76 175.431 175.431 175.457 -0.026 18415 11999 1 16 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.056 0.508 18415 12000 1 16 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.239 0.130 18415 12001 1 16 . 1 1 77 77 ASP N N 77 119.941 119.941 117.552 2.389 18415 12002 1 16 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.193 -0.215 18415 12003 1 16 . 1 1 77 77 ASP C C 77 176.293 176.293 176.667 -0.374 18415 12004 1 16 . 1 1 77 77 ASP CA C 77 52.759 52.759 55.631 -2.872 18415 12005 1 16 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.137 -0.727 18415 12006 1 16 . 1 1 77 77 ASP H H 77 8.004 8.004 8.673 -0.669 18415 12007 1 16 . 1 1 78 78 GLN N N 78 109.962 109.962 114.703 -4.741 18415 12008 1 16 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.399 -0.274 18415 12009 1 16 . 1 1 78 78 GLN C C 78 176.387 176.387 175.075 1.312 18415 12010 1 16 . 1 1 78 78 GLN CA C 78 57.792 57.792 55.725 2.067 18415 12011 1 16 . 1 1 78 78 GLN CB C 78 26.101 26.101 28.945 -2.844 18415 12012 1 16 . 1 1 78 78 GLN H H 78 8.124 8.124 8.079 0.045 18415 12013 1 16 . 1 1 79 79 THR N N 79 121.656 121.656 121.562 0.094 18415 12014 1 16 . 1 1 79 79 THR HA H 79 4.250 4.250 4.543 -0.293 18415 12015 1 16 . 1 1 79 79 THR C C 79 172.901 172.901 173.145 -0.244 18415 12016 1 16 . 1 1 79 79 THR CA C 79 63.165 63.165 63.587 -0.422 18415 12017 1 16 . 1 1 79 79 THR CB C 79 69.427 69.427 68.773 0.654 18415 12018 1 16 . 1 1 79 79 THR H H 79 8.172 8.172 8.488 -0.316 18415 12019 1 16 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.643 -0.121 18415 12020 1 16 . 1 1 80 80 PRO C C 80 176.940 176.940 176.278 0.662 18415 12021 1 16 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.869 0.819 18415 12022 1 16 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.471 -0.284 18415 12023 1 16 . 1 1 81 81 PHE N N 81 125.403 125.403 121.764 3.639 18415 12024 1 16 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.684 0.225 18415 12025 1 16 . 1 1 81 81 PHE C C 81 174.853 174.853 175.043 -0.190 18415 12026 1 16 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.106 -0.753 18415 12027 1 16 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.916 0.103 18415 12028 1 16 . 1 1 81 81 PHE H H 81 9.015 9.015 8.729 0.286 18415 12029 1 16 . 1 1 82 82 ASN N N 82 129.264 129.264 127.185 2.079 18415 12030 1 16 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.954 0.101 18415 12031 1 16 . 1 1 82 82 ASN C C 82 173.643 173.643 174.191 -0.548 18415 12032 1 16 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.146 -2.343 18415 12033 1 16 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.187 0.308 18415 12034 1 16 . 1 1 82 82 ASN H H 82 8.985 8.985 8.460 0.525 18415 12035 1 16 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.217 -0.214 18415 12036 1 16 . 1 1 83 83 PRO C C 83 177.123 177.123 177.769 -0.646 18415 12037 1 16 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.903 -1.118 18415 12038 1 16 . 1 1 83 83 PRO CB C 83 32.514 32.514 31.943 0.571 18415 12039 1 16 . 1 1 84 84 ARG N N 84 114.801 114.801 118.873 -4.072 18415 12040 1 16 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.168 0.155 18415 12041 1 16 . 1 1 84 84 ARG C C 84 176.890 176.890 176.491 0.399 18415 12042 1 16 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.731 -0.728 18415 12043 1 16 . 1 1 84 84 ARG CB C 84 30.158 30.158 29.988 0.170 18415 12044 1 16 . 1 1 84 84 ARG H H 84 7.697 7.697 8.379 -0.682 18415 12045 1 16 . 1 1 85 85 ARG N N 85 123.958 123.958 118.639 5.319 18415 12046 1 16 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.779 0.526 18415 12047 1 16 . 1 1 85 85 ARG C C 85 173.017 173.017 174.382 -1.365 18415 12048 1 16 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.190 -0.381 18415 12049 1 16 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.280 -0.240 18415 12050 1 16 . 1 1 85 85 ARG H H 85 7.596 7.596 7.154 0.442 18415 12051 1 16 . 1 1 86 86 VAL N N 86 110.039 110.039 122.135 -12.096 18415 12052 1 16 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.114 0.685 18415 12053 1 16 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.519 -2.253 18415 12054 1 16 . 1 1 86 86 VAL CB C 86 34.226 34.226 31.197 3.029 18415 12055 1 16 . 1 1 86 86 VAL H H 86 6.570 6.570 7.080 -0.510 18415 12056 1 16 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.152 0.170 18415 12057 1 16 . 1 1 87 87 PHE C C 87 173.471 173.471 174.078 -0.607 18415 12058 1 16 . 1 1 87 87 PHE CA C 87 55.377 55.377 56.072 -0.695 18415 12059 1 16 . 1 1 87 87 PHE CB C 87 37.384 37.384 35.899 1.485 18415 12060 1 16 . 1 1 88 88 TRP N N 88 118.538 118.538 121.890 -3.352 18415 12061 1 16 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.607 0.195 18415 12062 1 16 . 1 1 88 88 TRP C C 88 179.297 179.297 177.433 1.864 18415 12063 1 16 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.050 0.187 18415 12064 1 16 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.347 1.203 18415 12065 1 16 . 1 1 88 88 TRP H H 88 6.633 6.633 7.929 -1.296 18415 12066 1 16 . 1 1 89 89 HIS N N 89 122.693 122.693 121.555 1.138 18415 12067 1 16 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.518 -0.147 18415 12068 1 16 . 1 1 89 89 HIS C C 89 175.621 175.621 176.460 -0.839 18415 12069 1 16 . 1 1 89 89 HIS CA C 89 58.121 58.121 57.588 0.533 18415 12070 1 16 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.394 2.318 18415 12071 1 16 . 1 1 89 89 HIS H H 89 9.473 9.473 8.446 1.027 18415 12072 1 16 . 1 1 90 90 LYS N N 90 120.826 120.826 122.059 -1.233 18415 12073 1 16 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.508 -0.397 18415 12074 1 16 . 1 1 90 90 LYS C C 90 177.228 177.228 175.151 2.077 18415 12075 1 16 . 1 1 90 90 LYS CA C 90 58.242 58.242 56.013 2.229 18415 12076 1 16 . 1 1 90 90 LYS CB C 90 32.482 32.482 30.552 1.930 18415 12077 1 16 . 1 1 90 90 LYS H H 90 8.741 8.741 8.995 -0.254 18415 12078 1 16 . 1 1 91 91 ASN N N 91 117.166 117.166 116.842 0.324 18415 12079 1 16 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.778 -0.462 18415 12080 1 16 . 1 1 91 91 ASN C C 91 173.391 173.391 174.320 -0.929 18415 12081 1 16 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.527 1.808 18415 12082 1 16 . 1 1 91 91 ASN CB C 91 37.385 37.385 40.736 -3.351 18415 12083 1 16 . 1 1 91 91 ASN H H 91 8.906 8.906 7.830 1.076 18415 12084 1 16 . 1 1 92 92 GLU N N 92 116.991 116.991 122.288 -5.297 18415 12085 1 16 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.568 -0.281 18415 12086 1 16 . 1 1 92 92 GLU C C 92 173.188 173.188 174.716 -1.528 18415 12087 1 16 . 1 1 92 92 GLU CA C 92 53.271 53.271 55.185 -1.914 18415 12088 1 16 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.762 0.692 18415 12089 1 16 . 1 1 92 92 GLU H H 92 7.738 7.738 8.468 -0.730 18415 12090 1 16 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.882 -0.238 18415 12091 1 16 . 1 1 95 95 ASN C C 95 175.699 175.699 175.486 0.213 18415 12092 1 16 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.982 -0.523 18415 12093 1 16 . 1 1 95 95 ASN CB C 95 38.725 38.725 40.379 -1.654 18415 12094 1 16 . 1 1 96 96 SER N N 96 116.489 116.489 114.523 1.966 18415 12095 1 16 . 1 1 96 96 SER HA H 96 4.405 4.405 4.628 -0.223 18415 12096 1 16 . 1 1 96 96 SER C C 96 174.831 174.831 172.828 2.003 18415 12097 1 16 . 1 1 96 96 SER CA C 96 58.753 58.753 58.187 0.566 18415 12098 1 16 . 1 1 96 96 SER CB C 96 64.216 64.216 64.257 -0.041 18415 12099 1 16 . 1 1 96 96 SER H H 96 8.118 8.118 7.799 0.319 18415 12100 1 16 . 1 1 97 97 GLN N N 97 121.023 121.023 125.221 -4.198 18415 12101 1 16 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.305 -0.053 18415 12102 1 16 . 1 1 97 97 GLN C C 97 176.063 176.063 175.181 0.882 18415 12103 1 16 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.304 -0.347 18415 12104 1 16 . 1 1 97 97 GLN CB C 97 29.528 29.528 27.018 2.510 18415 12105 1 16 . 1 1 97 97 GLN H H 97 8.371 8.371 8.930 -0.559 18415 12106 1 16 . 1 1 98 98 GLY N N 98 110.498 110.498 112.518 -2.020 18415 12107 1 16 . 1 1 98 98 GLY C C 98 172.460 172.460 174.711 -2.251 18415 12108 1 16 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.935 -0.999 18415 12109 1 16 . 1 1 98 98 GLY H H 98 8.080 8.080 8.326 -0.246 18415 12110 1 16 . 1 1 99 99 GLU N N 99 119.919 119.919 120.500 -0.581 18415 12111 1 16 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.484 -0.213 18415 12112 1 16 . 1 1 99 99 GLU C C 99 176.605 176.605 175.324 1.281 18415 12113 1 16 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.083 0.425 18415 12114 1 16 . 1 1 99 99 GLU CB C 99 29.469 29.469 31.643 -2.174 18415 12115 1 16 . 1 1 99 99 GLU H H 99 8.004 8.004 8.591 -0.587 18415 12116 1 16 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.467 0.813 18415 12117 1 16 . 1 1 100 100 ASN CA C 100 53.381 53.381 53.817 -0.436 18415 12118 1 16 . 1 1 100 100 ASN CB C 100 41.917 41.917 37.799 4.118 18415 12119 1 16 . 1 1 101 101 CYS N N 101 121.118 121.118 117.648 3.470 18415 12120 1 16 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.986 0.504 18415 12121 1 16 . 1 1 101 101 CYS CA C 101 59.338 59.338 56.788 2.550 18415 12122 1 16 . 1 1 101 101 CYS CB C 101 43.778 43.778 31.116 12.662 18415 12123 1 16 . 1 1 101 101 CYS H H 101 9.707 9.707 8.560 1.147 18415 12124 1 16 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.536 -0.350 18415 12125 1 16 . 1 1 102 102 VAL C C 102 175.530 175.530 174.934 0.596 18415 12126 1 16 . 1 1 102 102 VAL CA C 102 63.033 63.033 59.261 3.772 18415 12127 1 16 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.717 1.437 18415 12128 1 16 . 1 1 103 103 VAL N N 103 115.890 115.890 116.716 -0.826 18415 12129 1 16 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.054 0.294 18415 12130 1 16 . 1 1 103 103 VAL C C 103 175.136 175.136 174.672 0.464 18415 12131 1 16 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.634 -0.897 18415 12132 1 16 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.320 -0.186 18415 12133 1 16 . 1 1 103 103 VAL H H 103 8.698 8.698 8.804 -0.106 18415 12134 1 16 . 1 1 104 104 LEU N N 104 124.477 124.477 123.556 0.921 18415 12135 1 16 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.132 -0.156 18415 12136 1 16 . 1 1 104 104 LEU C C 104 176.248 176.248 175.938 0.310 18415 12137 1 16 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.799 0.194 18415 12138 1 16 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.652 2.190 18415 12139 1 16 . 1 1 104 104 LEU H H 104 9.453 9.453 9.080 0.373 18415 12140 1 16 . 1 1 105 105 VAL N N 105 123.109 123.109 124.232 -1.123 18415 12141 1 16 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.574 0.441 18415 12142 1 16 . 1 1 105 105 VAL C C 105 173.635 173.635 173.691 -0.056 18415 12143 1 16 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.282 1.951 18415 12144 1 16 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.438 0.196 18415 12145 1 16 . 1 1 105 105 VAL H H 105 9.477 9.477 8.549 0.928 18415 12146 1 16 . 1 1 106 106 TYR N N 106 136.491 136.491 128.152 8.339 18415 12147 1 16 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.136 0.329 18415 12148 1 16 . 1 1 106 106 TYR C C 106 175.009 175.009 174.222 0.787 18415 12149 1 16 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.367 -1.318 18415 12150 1 16 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.351 0.600 18415 12151 1 16 . 1 1 106 106 TYR H H 106 9.509 9.509 8.257 1.252 18415 12152 1 16 . 1 1 107 107 ASN N N 107 124.433 124.433 124.717 -0.284 18415 12153 1 16 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.675 -0.125 18415 12154 1 16 . 1 1 107 107 ASN C C 107 173.919 173.919 174.188 -0.269 18415 12155 1 16 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.808 -0.199 18415 12156 1 16 . 1 1 107 107 ASN CB C 107 41.010 41.010 40.878 0.132 18415 12157 1 16 . 1 1 107 107 ASN H H 107 8.329 8.329 8.680 -0.351 18415 12158 1 16 . 1 1 108 108 GLN N N 108 119.681 119.681 123.949 -4.268 18415 12159 1 16 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.980 -0.326 18415 12160 1 16 . 1 1 108 108 GLN C C 108 175.060 175.060 174.863 0.197 18415 12161 1 16 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.052 0.554 18415 12162 1 16 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.685 -0.421 18415 12163 1 16 . 1 1 108 108 GLN H H 108 8.558 8.558 8.852 -0.294 18415 12164 1 16 . 1 1 109 109 ASP N N 109 109.712 109.712 112.194 -2.482 18415 12165 1 16 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.068 -0.091 18415 12166 1 16 . 1 1 109 109 ASP C C 109 174.354 174.354 174.429 -0.075 18415 12167 1 16 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.664 -0.465 18415 12168 1 16 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.602 -0.576 18415 12169 1 16 . 1 1 109 109 ASP H H 109 8.199 8.199 8.589 -0.390 18415 12170 1 16 . 1 1 110 110 LYS N N 110 115.590 115.590 114.067 1.523 18415 12171 1 16 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.327 0.225 18415 12172 1 16 . 1 1 110 110 LYS C C 110 174.674 174.674 174.287 0.387 18415 12173 1 16 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.403 1.066 18415 12174 1 16 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.579 1.010 18415 12175 1 16 . 1 1 110 110 LYS H H 110 7.081 7.081 7.036 0.045 18415 12176 1 16 . 1 1 111 111 TRP N N 111 122.248 122.248 120.878 1.370 18415 12177 1 16 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.279 -0.206 18415 12178 1 16 . 1 1 111 111 TRP C C 111 175.920 175.920 176.496 -0.576 18415 12179 1 16 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.757 -0.568 18415 12180 1 16 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.205 0.664 18415 12181 1 16 . 1 1 111 111 TRP H H 111 8.650 8.650 8.478 0.172 18415 12182 1 16 . 1 1 112 112 ALA N N 112 124.184 124.184 124.772 -0.588 18415 12183 1 16 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.960 -0.792 18415 12184 1 16 . 1 1 112 112 ALA C C 112 174.995 174.995 175.129 -0.134 18415 12185 1 16 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.513 0.802 18415 12186 1 16 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.824 -4.942 18415 12187 1 16 . 1 1 112 112 ALA H H 112 8.790 8.790 8.836 -0.046 18415 12188 1 16 . 1 1 113 113 TRP N N 113 118.725 118.725 119.788 -1.063 18415 12189 1 16 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.320 0.836 18415 12190 1 16 . 1 1 113 113 TRP C C 113 177.471 177.471 176.302 1.169 18415 12191 1 16 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.074 0.541 18415 12192 1 16 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.366 3.008 18415 12193 1 16 . 1 1 113 113 TRP H H 113 8.969 8.969 8.600 0.369 18415 12194 1 16 . 1 1 114 114 ASN N N 114 120.479 120.479 120.911 -0.432 18415 12195 1 16 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.420 0.070 18415 12196 1 16 . 1 1 114 114 ASN C C 114 174.708 174.708 174.076 0.632 18415 12197 1 16 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.910 -0.152 18415 12198 1 16 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.129 -0.111 18415 12199 1 16 . 1 1 114 114 ASN H H 114 9.518 9.518 9.132 0.386 18415 12200 1 16 . 1 1 115 115 ASP N N 115 118.209 118.209 124.281 -6.072 18415 12201 1 16 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.332 0.539 18415 12202 1 16 . 1 1 115 115 ASP C C 115 174.291 174.291 175.673 -1.382 18415 12203 1 16 . 1 1 115 115 ASP CA C 115 52.187 52.187 53.971 -1.784 18415 12204 1 16 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.229 -0.725 18415 12205 1 16 . 1 1 115 115 ASP H H 115 8.563 8.563 8.928 -0.365 18415 12206 1 16 . 1 1 116 116 VAL N N 116 118.669 118.669 117.235 1.434 18415 12207 1 16 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.638 0.257 18415 12208 1 16 . 1 1 116 116 VAL C C 116 172.334 172.334 173.254 -0.920 18415 12209 1 16 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.212 0.069 18415 12210 1 16 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.279 0.054 18415 12211 1 16 . 1 1 116 116 VAL H H 116 9.369 9.369 8.915 0.454 18415 12212 1 16 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.961 -0.027 18415 12213 1 16 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.053 0.023 18415 12214 1 16 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.942 0.417 18415 12215 1 16 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.605 -0.155 18415 12216 1 16 . 1 1 118 118 CYS C C 118 175.583 175.583 176.886 -1.303 18415 12217 1 16 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.829 -1.925 18415 12218 1 16 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.743 17.098 18415 12219 1 16 . 1 1 119 119 ASN N N 119 117.251 117.251 117.512 -0.261 18415 12220 1 16 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.706 0.207 18415 12221 1 16 . 1 1 119 119 ASN C C 119 174.849 174.849 175.218 -0.369 18415 12222 1 16 . 1 1 119 119 ASN CA C 119 53.142 53.142 54.831 -1.689 18415 12223 1 16 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.900 -1.824 18415 12224 1 16 . 1 1 119 119 ASN H H 119 8.411 8.411 7.969 0.442 18415 12225 1 16 . 1 1 120 120 PHE N N 120 123.415 123.415 121.270 2.145 18415 12226 1 16 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.636 -0.090 18415 12227 1 16 . 1 1 120 120 PHE C C 120 173.156 173.156 174.490 -1.334 18415 12228 1 16 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.413 0.948 18415 12229 1 16 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.847 -0.398 18415 12230 1 16 . 1 1 120 120 PHE H H 120 8.097 8.097 8.065 0.032 18415 12231 1 16 . 1 1 121 121 GLU N N 121 119.143 119.143 124.714 -5.571 18415 12232 1 16 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.770 -0.217 18415 12233 1 16 . 1 1 121 121 GLU C C 121 174.732 174.732 174.274 0.458 18415 12234 1 16 . 1 1 121 121 GLU CA C 121 54.588 54.588 54.493 0.095 18415 12235 1 16 . 1 1 121 121 GLU CB C 121 30.420 30.420 31.542 -1.122 18415 12236 1 16 . 1 1 121 121 GLU H H 121 7.012 7.012 7.886 -0.874 18415 12237 1 16 . 1 1 122 122 ALA N N 122 125.793 125.793 124.297 1.496 18415 12238 1 16 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.479 -0.008 18415 12239 1 16 . 1 1 122 122 ALA C C 122 177.616 177.616 175.436 2.180 18415 12240 1 16 . 1 1 122 122 ALA CA C 122 51.243 51.243 51.165 0.078 18415 12241 1 16 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.238 -0.636 18415 12242 1 16 . 1 1 122 122 ALA H H 122 8.441 8.441 8.961 -0.520 18415 12243 1 16 . 1 1 123 123 SER N N 123 115.420 115.420 114.914 0.506 18415 12244 1 16 . 1 1 123 123 SER HA H 123 4.522 4.522 5.565 -1.043 18415 12245 1 16 . 1 1 123 123 SER C C 123 172.514 172.514 174.866 -2.352 18415 12246 1 16 . 1 1 123 123 SER CA C 123 60.661 60.661 57.310 3.351 18415 12247 1 16 . 1 1 123 123 SER CB C 123 62.943 62.943 64.119 -1.176 18415 12248 1 16 . 1 1 123 123 SER H H 123 7.716 7.716 8.051 -0.335 18415 12249 1 16 . 1 1 124 124 ARG N N 124 112.529 112.529 116.476 -3.947 18415 12250 1 16 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.132 0.358 18415 12251 1 16 . 1 1 124 124 ARG C C 124 173.779 173.779 174.269 -0.490 18415 12252 1 16 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.568 0.371 18415 12253 1 16 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.719 -1.794 18415 12254 1 16 . 1 1 124 124 ARG H H 124 8.840 8.840 8.358 0.482 18415 12255 1 16 . 1 1 125 125 ILE N N 125 116.525 116.525 120.814 -4.289 18415 12256 1 16 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.849 -0.131 18415 12257 1 16 . 1 1 125 125 ILE C C 125 175.656 175.656 174.702 0.954 18415 12258 1 16 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.507 1.329 18415 12259 1 16 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.085 0.473 18415 12260 1 16 . 1 1 125 125 ILE H H 125 6.989 6.989 8.217 -1.228 18415 12261 1 16 . 1 1 126 126 CYS N N 126 123.910 123.910 127.368 -3.458 18415 12262 1 16 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.231 0.339 18415 12263 1 16 . 1 1 126 126 CYS C C 126 173.662 173.662 173.083 0.579 18415 12264 1 16 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.912 -5.072 18415 12265 1 16 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.304 9.837 18415 12266 1 16 . 1 1 126 126 CYS H H 126 8.288 8.288 9.150 -0.862 18415 12267 1 16 . 1 1 127 127 LYS N N 127 124.170 124.170 129.573 -5.403 18415 12268 1 16 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.677 -0.058 18415 12269 1 16 . 1 1 127 127 LYS C C 127 174.637 174.637 174.562 0.075 18415 12270 1 16 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.609 0.626 18415 12271 1 16 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.120 2.398 18415 12272 1 16 . 1 1 127 127 LYS H H 127 9.681 9.681 9.510 0.171 18415 12273 1 16 . 1 1 128 128 ILE N N 128 129.226 129.226 125.549 3.677 18415 12274 1 16 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.745 0.155 18415 12275 1 16 . 1 1 128 128 ILE C C 128 172.463 172.463 172.730 -0.267 18415 12276 1 16 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.203 1.181 18415 12277 1 16 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.094 1.794 18415 12278 1 16 . 1 1 128 128 ILE H H 128 9.205 9.205 9.175 0.030 18415 12279 1 16 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.684 0.307 18415 12280 1 16 . 1 1 129 129 PRO C C 129 177.954 177.954 176.920 1.034 18415 12281 1 16 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.475 0.149 18415 12282 1 16 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.231 0.270 18415 12283 1 16 . 1 1 130 130 GLY N N 130 110.745 110.745 108.132 2.613 18415 12284 1 16 . 1 1 130 130 GLY C C 130 175.022 175.022 175.082 -0.060 18415 12285 1 16 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.077 1.179 18415 12286 1 16 . 1 1 130 130 GLY H H 130 8.673 8.673 8.189 0.484 18415 12287 1 16 . 1 1 131 131 THR N N 131 112.246 112.246 116.854 -4.608 18415 12288 1 16 . 1 1 131 131 THR HA H 131 4.427 4.427 4.072 0.355 18415 12289 1 16 . 1 1 131 131 THR C C 131 175.259 175.259 176.020 -0.761 18415 12290 1 16 . 1 1 131 131 THR CA C 131 61.500 61.500 63.260 -1.760 18415 12291 1 16 . 1 1 131 131 THR CB C 131 69.998 69.998 68.162 1.837 18415 12292 1 16 . 1 1 131 131 THR H H 131 7.870 7.870 7.962 -0.092 18415 12293 1 16 . 1 1 132 132 THR N N 132 116.455 116.455 118.350 -1.895 18415 12294 1 16 . 1 1 132 132 THR HA H 132 4.281 4.281 4.010 0.271 18415 12295 1 16 . 1 1 132 132 THR C C 132 174.867 174.867 175.248 -0.381 18415 12296 1 16 . 1 1 132 132 THR CA C 132 62.453 62.453 64.375 -1.922 18415 12297 1 16 . 1 1 132 132 THR CB C 132 69.868 69.868 68.381 1.487 18415 12298 1 16 . 1 1 132 132 THR H H 132 8.120 8.120 8.068 0.052 18415 12299 1 16 . 1 1 133 133 LEU N N 133 124.001 124.001 119.177 4.824 18415 12300 1 16 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.111 0.151 18415 12301 1 16 . 1 1 133 133 LEU C C 133 177.365 177.365 179.052 -1.687 18415 12302 1 16 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.808 -1.061 18415 12303 1 16 . 1 1 133 133 LEU CB C 133 42.322 42.322 40.796 1.526 18415 12304 1 16 . 1 1 133 133 LEU H H 133 8.117 8.117 7.518 0.599 18415 12305 1 16 . 1 1 134 134 ASN N N 134 119.222 119.222 118.411 0.811 18415 12306 1 16 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.460 0.161 18415 12307 1 16 . 1 1 134 134 ASN C C 134 175.725 175.725 176.098 -0.373 18415 12308 1 16 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.551 -1.926 18415 12309 1 16 . 1 1 134 134 ASN CB C 134 38.836 38.836 38.965 -0.130 18415 12310 1 16 . 1 1 134 134 ASN H H 134 8.325 8.325 7.859 0.466 18415 12311 1 16 . 1 1 135 135 ALA N N 135 123.649 123.649 122.101 1.548 18415 12312 1 16 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.563 -0.434 18415 12313 1 16 . 1 1 135 135 ALA C C 135 179.061 179.061 177.351 1.710 18415 12314 1 16 . 1 1 135 135 ALA CA C 135 53.932 53.932 50.903 3.029 18415 12315 1 16 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.026 0.913 18415 12316 1 16 . 1 1 135 135 ALA H H 135 8.205 8.205 7.392 0.813 18415 12317 1 16 . 1 1 136 136 GLU N N 136 119.187 119.187 119.483 -0.296 18415 12318 1 16 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.023 0.182 18415 12319 1 16 . 1 1 136 136 GLU C C 136 177.504 177.504 178.052 -0.548 18415 12320 1 16 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.311 -1.432 18415 12321 1 16 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.967 0.679 18415 12322 1 16 . 1 1 136 136 GLU H H 136 8.349 8.349 7.825 0.524 18415 12323 1 16 . 1 1 137 137 ASN N N 137 118.988 118.988 117.443 1.545 18415 12324 1 16 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.642 -0.005 18415 12325 1 16 . 1 1 137 137 ASN C C 137 176.785 176.785 177.093 -0.308 18415 12326 1 16 . 1 1 137 137 ASN CA C 137 54.474 54.474 54.934 -0.460 18415 12327 1 16 . 1 1 137 137 ASN CB C 137 38.709 38.709 37.373 1.336 18415 12328 1 16 . 1 1 137 137 ASN H H 137 8.259 8.259 8.543 -0.284 18415 12329 1 16 . 1 1 138 138 LEU N N 138 121.438 121.438 121.478 -0.040 18415 12330 1 16 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.083 0.052 18415 12331 1 16 . 1 1 138 138 LEU C C 138 178.872 178.872 178.692 0.180 18415 12332 1 16 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.801 -0.875 18415 12333 1 16 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.144 -0.143 18415 12334 1 16 . 1 1 138 138 LEU H H 138 8.084 8.084 7.444 0.640 18415 12335 1 16 . 1 1 139 139 TYR N N 139 120.558 120.558 118.311 2.247 18415 12336 1 16 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.295 -0.009 18415 12337 1 16 . 1 1 139 139 TYR C C 139 177.587 177.587 177.663 -0.076 18415 12338 1 16 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.875 -0.730 18415 12339 1 16 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.883 -0.517 18415 12340 1 16 . 1 1 139 139 TYR H H 139 8.130 8.130 8.613 -0.483 18415 12341 1 16 . 1 1 140 140 PHE N N 140 120.508 120.508 120.620 -0.112 18415 12342 1 16 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.218 0.137 18415 12343 1 16 . 1 1 140 140 PHE C C 140 177.425 177.425 176.480 0.945 18415 12344 1 16 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.911 -1.281 18415 12345 1 16 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.357 -0.105 18415 12346 1 16 . 1 1 140 140 PHE H H 140 8.275 8.275 7.957 0.318 18415 12347 1 16 . 1 1 141 141 GLN N N 141 119.274 119.274 117.199 2.075 18415 12348 1 16 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.227 -0.114 18415 12349 1 16 . 1 1 141 141 GLN C C 141 176.976 176.976 175.681 1.295 18415 12350 1 16 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.154 1.209 18415 12351 1 16 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.253 -0.225 18415 12352 1 16 . 1 1 141 141 GLN H H 141 8.250 8.250 7.780 0.470 18415 12353 1 17 . 1 1 2 2 VAL HA H 2 3.787 3.787 3.921 -0.134 18415 12354 1 17 . 1 1 2 2 VAL C C 2 172.250 172.250 174.773 -2.523 18415 12355 1 17 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.955 -1.661 18415 12356 1 17 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.176 2.532 18415 12357 1 17 . 1 1 3 3 CYS N N 3 121.988 121.988 125.389 -3.401 18415 12358 1 17 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.614 0.591 18415 12359 1 17 . 1 1 3 3 CYS C C 3 171.993 171.993 172.381 -0.388 18415 12360 1 17 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.562 -4.518 18415 12361 1 17 . 1 1 3 3 CYS CB C 3 39.461 39.461 28.624 10.837 18415 12362 1 17 . 1 1 3 3 CYS H H 3 8.628 8.628 8.386 0.242 18415 12363 1 17 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.763 0.060 18415 12364 1 17 . 1 1 5 5 ILE C C 5 176.622 176.622 177.882 -1.260 18415 12365 1 17 . 1 1 5 5 ILE CA C 5 63.300 63.300 63.716 -0.416 18415 12366 1 17 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.146 -0.102 18415 12367 1 17 . 1 1 6 6 ASP N N 6 117.894 117.894 121.134 -3.240 18415 12368 1 17 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.471 -0.127 18415 12369 1 17 . 1 1 6 6 ASP H H 6 8.606 8.606 8.309 0.297 18415 12370 1 17 . 1 1 7 7 TRP N N 7 120.564 120.564 117.798 2.766 18415 12371 1 17 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.547 0.143 18415 12372 1 17 . 1 1 7 7 TRP C C 7 176.415 176.415 176.766 -0.351 18415 12373 1 17 . 1 1 7 7 TRP CA C 7 58.038 58.038 58.034 0.004 18415 12374 1 17 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.588 -0.817 18415 12375 1 17 . 1 1 7 7 TRP H H 7 8.208 8.208 7.586 0.622 18415 12376 1 17 . 1 1 8 8 ARG N N 8 119.872 119.872 123.647 -3.775 18415 12377 1 17 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.426 0.260 18415 12378 1 17 . 1 1 8 8 ARG C C 8 176.146 176.146 175.613 0.533 18415 12379 1 17 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.206 -0.265 18415 12380 1 17 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.321 1.242 18415 12381 1 17 . 1 1 8 8 ARG H H 8 9.456 9.456 9.149 0.307 18415 12382 1 17 . 1 1 9 9 ALA N N 9 127.265 127.265 130.820 -3.555 18415 12383 1 17 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.567 0.824 18415 12384 1 17 . 1 1 9 9 ALA C C 9 176.927 176.927 176.210 0.717 18415 12385 1 17 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.858 0.152 18415 12386 1 17 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.439 3.224 18415 12387 1 17 . 1 1 9 9 ALA H H 9 8.819 8.819 8.368 0.451 18415 12388 1 17 . 1 1 10 10 PHE N N 10 120.450 120.450 127.394 -6.944 18415 12389 1 17 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.798 -0.604 18415 12390 1 17 . 1 1 10 10 PHE C C 10 174.606 174.606 174.328 0.278 18415 12391 1 17 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.856 0.670 18415 12392 1 17 . 1 1 10 10 PHE CB C 10 40.861 40.861 42.335 -1.474 18415 12393 1 17 . 1 1 10 10 PHE H H 10 8.202 8.202 8.805 -0.603 18415 12394 1 17 . 1 1 11 11 GLN N N 11 126.391 126.391 123.824 2.567 18415 12395 1 17 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.554 -0.093 18415 12396 1 17 . 1 1 11 11 GLN C C 11 175.859 175.859 175.330 0.529 18415 12397 1 17 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.449 -0.197 18415 12398 1 17 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.334 -1.372 18415 12399 1 17 . 1 1 11 11 GLN H H 11 8.872 8.872 8.427 0.445 18415 12400 1 17 . 1 1 12 12 SER N N 12 113.087 113.087 117.390 -4.303 18415 12401 1 17 . 1 1 12 12 SER HA H 12 4.252 4.252 4.320 -0.068 18415 12402 1 17 . 1 1 12 12 SER C C 12 173.339 173.339 173.606 -0.267 18415 12403 1 17 . 1 1 12 12 SER CA C 12 59.795 59.795 58.811 0.984 18415 12404 1 17 . 1 1 12 12 SER CB C 12 62.943 62.943 63.344 -0.401 18415 12405 1 17 . 1 1 12 12 SER H H 12 8.189 8.189 8.387 -0.198 18415 12406 1 17 . 1 1 13 13 ASN N N 13 118.336 118.336 118.662 -0.326 18415 12407 1 17 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.973 0.283 18415 12408 1 17 . 1 1 13 13 ASN C C 13 174.330 174.330 173.687 0.643 18415 12409 1 17 . 1 1 13 13 ASN CA C 13 52.342 52.342 51.735 0.607 18415 12410 1 17 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.921 2.537 18415 12411 1 17 . 1 1 13 13 ASN H H 13 8.242 8.242 7.603 0.639 18415 12412 1 17 . 1 1 14 14 CYS N N 14 118.315 118.315 116.866 1.449 18415 12413 1 17 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.267 0.594 18415 12414 1 17 . 1 1 14 14 CYS C C 14 174.314 174.314 173.072 1.242 18415 12415 1 17 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.193 -4.508 18415 12416 1 17 . 1 1 14 14 CYS CB C 14 44.019 44.019 30.184 13.835 18415 12417 1 17 . 1 1 14 14 CYS H H 14 8.592 8.592 8.760 -0.168 18415 12418 1 17 . 1 1 15 15 TYR N N 15 121.588 121.588 120.341 1.247 18415 12419 1 17 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.827 -0.050 18415 12420 1 17 . 1 1 15 15 TYR C C 15 176.333 176.333 174.753 1.580 18415 12421 1 17 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.453 2.163 18415 12422 1 17 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.252 3.331 18415 12423 1 17 . 1 1 15 15 TYR H H 15 9.947 9.947 9.518 0.429 18415 12424 1 17 . 1 1 16 16 PHE N N 16 121.989 121.989 123.784 -1.795 18415 12425 1 17 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.821 0.090 18415 12426 1 17 . 1 1 16 16 PHE C C 16 172.937 172.937 172.893 0.044 18415 12427 1 17 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.791 -0.394 18415 12428 1 17 . 1 1 16 16 PHE CB C 16 40.070 40.070 41.706 -1.636 18415 12429 1 17 . 1 1 16 16 PHE H H 16 8.717 8.717 9.146 -0.429 18415 12430 1 17 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.911 0.205 18415 12431 1 17 . 1 1 17 17 PRO C C 17 175.445 175.445 175.134 0.311 18415 12432 1 17 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.653 -0.165 18415 12433 1 17 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.417 -0.426 18415 12434 1 17 . 1 1 18 18 LEU N N 18 126.062 126.062 125.001 1.061 18415 12435 1 17 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.417 0.264 18415 12436 1 17 . 1 1 18 18 LEU C C 18 177.391 177.391 177.283 0.108 18415 12437 1 17 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.747 1.613 18415 12438 1 17 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.917 1.565 18415 12439 1 17 . 1 1 18 18 LEU H H 18 9.054 9.054 8.976 0.078 18415 12440 1 17 . 1 1 19 19 THR N N 19 109.256 109.256 114.190 -4.934 18415 12441 1 17 . 1 1 19 19 THR HA H 19 4.612 4.612 4.256 0.356 18415 12442 1 17 . 1 1 19 19 THR C C 19 175.613 175.613 174.089 1.524 18415 12443 1 17 . 1 1 19 19 THR CA C 19 62.236 62.236 60.694 1.542 18415 12444 1 17 . 1 1 19 19 THR CB C 19 69.530 69.530 67.667 1.863 18415 12445 1 17 . 1 1 19 19 THR H H 19 8.303 8.303 8.462 -0.159 18415 12446 1 17 . 1 1 20 20 ASP N N 20 121.645 121.645 123.353 -1.708 18415 12447 1 17 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.334 0.123 18415 12448 1 17 . 1 1 20 20 ASP C C 20 174.684 174.684 175.393 -0.709 18415 12449 1 17 . 1 1 20 20 ASP CA C 20 53.118 53.118 55.450 -2.332 18415 12450 1 17 . 1 1 20 20 ASP CB C 20 40.069 40.069 40.539 -0.470 18415 12451 1 17 . 1 1 20 20 ASP H H 20 8.834 8.834 7.698 1.136 18415 12452 1 17 . 1 1 21 21 ASN N N 21 118.648 118.648 115.925 2.723 18415 12453 1 17 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.299 0.347 18415 12454 1 17 . 1 1 21 21 ASN C C 21 176.542 176.542 173.665 2.877 18415 12455 1 17 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.396 -0.944 18415 12456 1 17 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.355 1.099 18415 12457 1 17 . 1 1 21 21 ASN H H 21 8.113 8.113 8.674 -0.561 18415 12458 1 17 . 1 1 22 22 LYS N N 22 122.470 122.470 117.059 5.411 18415 12459 1 17 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.916 -0.060 18415 12460 1 17 . 1 1 22 22 LYS C C 22 176.711 176.711 175.953 0.758 18415 12461 1 17 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.734 0.931 18415 12462 1 17 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.136 3.403 18415 12463 1 17 . 1 1 22 22 LYS H H 22 8.794 8.794 7.646 1.148 18415 12464 1 17 . 1 1 23 23 THR N N 23 109.009 109.009 114.792 -5.783 18415 12465 1 17 . 1 1 23 23 THR HA H 23 5.647 5.647 5.156 0.491 18415 12466 1 17 . 1 1 23 23 THR C C 23 178.411 178.411 175.760 2.651 18415 12467 1 17 . 1 1 23 23 THR CA C 23 61.773 61.773 60.400 1.373 18415 12468 1 17 . 1 1 23 23 THR CB C 23 71.820 71.820 70.478 1.341 18415 12469 1 17 . 1 1 23 23 THR H H 23 8.250 8.250 9.389 -1.139 18415 12470 1 17 . 1 1 24 24 TRP N N 24 126.345 126.345 124.286 2.059 18415 12471 1 17 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.526 -0.496 18415 12472 1 17 . 1 1 24 24 TRP C C 24 178.204 178.204 176.509 1.695 18415 12473 1 17 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.719 2.862 18415 12474 1 17 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.086 1.568 18415 12475 1 17 . 1 1 24 24 TRP H H 24 8.279 8.279 8.674 -0.395 18415 12476 1 17 . 1 1 25 25 ALA N N 25 119.965 119.965 121.189 -1.224 18415 12477 1 17 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.869 0.079 18415 12478 1 17 . 1 1 25 25 ALA C C 25 182.089 182.089 179.458 2.631 18415 12479 1 17 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.229 0.661 18415 12480 1 17 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.033 0.222 18415 12481 1 17 . 1 1 25 25 ALA H H 25 9.634 9.634 8.314 1.320 18415 12482 1 17 . 1 1 26 26 GLU N N 26 116.492 116.492 118.611 -2.119 18415 12483 1 17 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.856 0.207 18415 12484 1 17 . 1 1 26 26 GLU C C 26 179.756 179.756 179.145 0.611 18415 12485 1 17 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.176 -0.881 18415 12486 1 17 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.409 1.074 18415 12487 1 17 . 1 1 26 26 GLU H H 26 7.392 7.392 7.739 -0.347 18415 12488 1 17 . 1 1 27 27 SER N N 27 121.197 121.197 116.122 5.075 18415 12489 1 17 . 1 1 27 27 SER HA H 27 3.855 3.855 3.972 -0.117 18415 12490 1 17 . 1 1 27 27 SER C C 27 174.299 174.299 176.007 -1.708 18415 12491 1 17 . 1 1 27 27 SER CA C 27 63.344 63.344 62.798 0.546 18415 12492 1 17 . 1 1 27 27 SER CB C 27 62.329 62.329 62.652 -0.323 18415 12493 1 17 . 1 1 27 27 SER H H 27 8.596 8.596 8.320 0.276 18415 12494 1 17 . 1 1 28 28 GLU N N 28 124.173 124.173 121.321 2.852 18415 12495 1 17 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.781 0.487 18415 12496 1 17 . 1 1 28 28 GLU C C 28 178.856 178.856 178.593 0.263 18415 12497 1 17 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.543 -0.344 18415 12498 1 17 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.046 -2.146 18415 12499 1 17 . 1 1 28 28 GLU H H 28 8.133 8.133 7.997 0.136 18415 12500 1 17 . 1 1 29 29 ARG N N 29 120.498 120.498 117.074 3.424 18415 12501 1 17 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.171 -0.128 18415 12502 1 17 . 1 1 29 29 ARG C C 29 179.339 179.339 178.143 1.196 18415 12503 1 17 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.777 0.914 18415 12504 1 17 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.465 -0.230 18415 12505 1 17 . 1 1 29 29 ARG H H 29 7.962 7.962 7.526 0.436 18415 12506 1 17 . 1 1 30 30 ASN N N 30 119.000 119.000 117.525 1.475 18415 12507 1 17 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.719 -0.272 18415 12508 1 17 . 1 1 30 30 ASN C C 30 178.153 178.153 175.794 2.359 18415 12509 1 17 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.831 2.819 18415 12510 1 17 . 1 1 30 30 ASN CB C 30 40.436 40.436 40.167 0.269 18415 12511 1 17 . 1 1 30 30 ASN H H 30 7.960 7.960 7.916 0.044 18415 12512 1 17 . 1 1 31 31 CYS N N 31 116.301 116.301 118.850 -2.549 18415 12513 1 17 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.713 -0.232 18415 12514 1 17 . 1 1 31 31 CYS C C 31 178.072 178.072 173.782 4.290 18415 12515 1 17 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.931 -3.521 18415 12516 1 17 . 1 1 31 31 CYS CB C 31 34.709 34.709 27.352 7.357 18415 12517 1 17 . 1 1 31 31 CYS H H 31 8.477 8.477 8.318 0.159 18415 12518 1 17 . 1 1 32 32 SER N N 32 119.834 119.834 118.761 1.073 18415 12519 1 17 . 1 1 32 32 SER HA H 32 4.700 4.700 4.643 0.057 18415 12520 1 17 . 1 1 32 32 SER C C 32 179.062 179.062 176.241 2.821 18415 12521 1 17 . 1 1 32 32 SER CA C 32 61.663 61.663 59.327 2.336 18415 12522 1 17 . 1 1 32 32 SER CB C 32 62.655 62.655 63.023 -0.368 18415 12523 1 17 . 1 1 32 32 SER H H 32 9.206 9.206 8.756 0.450 18415 12524 1 17 . 1 1 33 33 GLY N N 33 111.632 111.632 111.455 0.177 18415 12525 1 17 . 1 1 33 33 GLY C C 33 174.861 174.861 175.412 -0.551 18415 12526 1 17 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.115 -0.448 18415 12527 1 17 . 1 1 33 33 GLY H H 33 8.053 8.053 8.833 -0.780 18415 12528 1 17 . 1 1 34 34 MET N N 34 116.998 116.998 119.263 -2.265 18415 12529 1 17 . 1 1 34 34 MET HA H 34 4.596 4.596 4.444 0.152 18415 12530 1 17 . 1 1 34 34 MET C C 34 175.356 175.356 176.293 -0.937 18415 12531 1 17 . 1 1 34 34 MET CA C 34 54.887 54.887 55.170 -0.283 18415 12532 1 17 . 1 1 34 34 MET CB C 34 33.959 33.959 32.485 1.474 18415 12533 1 17 . 1 1 34 34 MET H H 34 7.441 7.441 7.815 -0.374 18415 12534 1 17 . 1 1 35 35 GLY N N 35 106.474 106.474 105.991 0.483 18415 12535 1 17 . 1 1 35 35 GLY C C 35 173.112 173.112 173.142 -0.030 18415 12536 1 17 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.238 0.163 18415 12537 1 17 . 1 1 35 35 GLY H H 35 7.807 7.807 7.723 0.084 18415 12538 1 17 . 1 1 36 36 ALA N N 36 121.833 121.833 122.563 -0.730 18415 12539 1 17 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.495 0.207 18415 12540 1 17 . 1 1 36 36 ALA C C 36 174.285 174.285 175.637 -1.352 18415 12541 1 17 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.542 -0.821 18415 12542 1 17 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.344 3.318 18415 12543 1 17 . 1 1 36 36 ALA H H 36 7.693 7.693 7.439 0.254 18415 12544 1 17 . 1 1 37 37 HIS N N 37 111.683 111.683 116.535 -4.852 18415 12545 1 17 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.027 0.104 18415 12546 1 17 . 1 1 37 37 HIS C C 37 175.351 175.351 174.978 0.373 18415 12547 1 17 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.399 0.174 18415 12548 1 17 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.673 1.298 18415 12549 1 17 . 1 1 37 37 HIS H H 37 8.078 8.078 8.905 -0.827 18415 12550 1 17 . 1 1 38 38 LEU N N 38 123.260 123.260 121.305 1.955 18415 12551 1 17 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.333 0.440 18415 12552 1 17 . 1 1 38 38 LEU C C 38 179.180 179.180 178.228 0.952 18415 12553 1 17 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.788 0.578 18415 12554 1 17 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.431 1.225 18415 12555 1 17 . 1 1 38 38 LEU H H 38 9.964 9.964 8.820 1.144 18415 12556 1 17 . 1 1 39 39 MET N N 39 119.511 119.511 122.556 -3.045 18415 12557 1 17 . 1 1 39 39 MET HA H 39 3.855 3.855 4.338 -0.483 18415 12558 1 17 . 1 1 39 39 MET C C 39 174.874 174.874 174.938 -0.064 18415 12559 1 17 . 1 1 39 39 MET CA C 39 58.789 58.789 55.485 3.304 18415 12560 1 17 . 1 1 39 39 MET CB C 39 34.405 34.405 32.344 2.061 18415 12561 1 17 . 1 1 39 39 MET H H 39 8.409 8.409 8.447 -0.038 18415 12562 1 17 . 1 1 40 40 THR N N 40 123.771 123.771 119.548 4.223 18415 12563 1 17 . 1 1 40 40 THR HA H 40 4.013 4.013 3.977 0.036 18415 12564 1 17 . 1 1 40 40 THR C C 40 172.936 172.936 173.856 -0.920 18415 12565 1 17 . 1 1 40 40 THR CA C 40 59.869 59.869 59.231 0.638 18415 12566 1 17 . 1 1 40 40 THR CB C 40 70.587 70.587 67.473 3.114 18415 12567 1 17 . 1 1 40 40 THR H H 40 6.822 6.822 8.328 -1.506 18415 12568 1 17 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.271 -0.022 18415 12569 1 17 . 1 1 41 41 ILE C C 41 174.349 174.349 175.849 -1.500 18415 12570 1 17 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.484 -2.727 18415 12571 1 17 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.302 1.269 18415 12572 1 17 . 1 1 42 42 SER N N 42 122.113 122.113 122.452 -0.339 18415 12573 1 17 . 1 1 42 42 SER HA H 42 4.647 4.647 4.688 -0.041 18415 12574 1 17 . 1 1 42 42 SER C C 42 174.502 174.502 174.236 0.266 18415 12575 1 17 . 1 1 42 42 SER CA C 42 59.768 59.768 59.343 0.426 18415 12576 1 17 . 1 1 42 42 SER CB C 42 64.720 64.720 65.047 -0.327 18415 12577 1 17 . 1 1 42 42 SER H H 42 9.230 9.230 9.800 -0.570 18415 12578 1 17 . 1 1 43 43 THR N N 43 108.516 108.516 113.565 -5.049 18415 12579 1 17 . 1 1 43 43 THR HA H 43 4.807 4.807 4.823 -0.016 18415 12580 1 17 . 1 1 43 43 THR C C 43 173.812 173.812 174.786 -0.974 18415 12581 1 17 . 1 1 43 43 THR CA C 43 59.249 59.249 60.407 -1.159 18415 12582 1 17 . 1 1 43 43 THR CB C 43 73.128 73.128 72.311 0.817 18415 12583 1 17 . 1 1 43 43 THR H H 43 7.559 7.559 8.246 -0.687 18415 12584 1 17 . 1 1 44 44 GLU N N 44 123.057 123.057 124.001 -0.944 18415 12585 1 17 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.059 -0.610 18415 12586 1 17 . 1 1 44 44 GLU C C 44 178.262 178.262 178.706 -0.444 18415 12587 1 17 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.753 -1.424 18415 12588 1 17 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.420 0.022 18415 12589 1 17 . 1 1 44 44 GLU H H 44 9.377 9.377 9.108 0.269 18415 12590 1 17 . 1 1 45 45 ALA N N 45 119.910 119.910 121.418 -1.508 18415 12591 1 17 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.345 -0.295 18415 12592 1 17 . 1 1 45 45 ALA C C 45 180.096 180.096 179.579 0.517 18415 12593 1 17 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.178 0.002 18415 12594 1 17 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.146 0.121 18415 12595 1 17 . 1 1 45 45 ALA H H 45 8.328 8.328 8.546 -0.218 18415 12596 1 17 . 1 1 46 46 GLU N N 46 118.861 118.861 119.353 -0.492 18415 12597 1 17 . 1 1 46 46 GLU HA H 46 3.612 3.612 4.052 -0.440 18415 12598 1 17 . 1 1 46 46 GLU C C 46 177.452 177.452 178.367 -0.915 18415 12599 1 17 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.708 -0.424 18415 12600 1 17 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.451 1.062 18415 12601 1 17 . 1 1 46 46 GLU H H 46 7.852 7.852 7.871 -0.019 18415 12602 1 17 . 1 1 47 47 GLN N N 47 119.473 119.473 118.894 0.579 18415 12603 1 17 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.840 -0.153 18415 12604 1 17 . 1 1 47 47 GLN C C 47 176.429 176.429 178.347 -1.918 18415 12605 1 17 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.925 0.983 18415 12606 1 17 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.436 1.540 18415 12607 1 17 . 1 1 47 47 GLN H H 47 7.054 7.054 7.740 -0.686 18415 12608 1 17 . 1 1 48 48 ASN N N 48 115.182 115.182 116.834 -1.652 18415 12609 1 17 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.253 -0.040 18415 12610 1 17 . 1 1 48 48 ASN C C 48 176.986 176.986 177.088 -0.102 18415 12611 1 17 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.340 -1.310 18415 12612 1 17 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.586 -1.028 18415 12613 1 17 . 1 1 48 48 ASN H H 48 8.416 8.416 8.417 -0.001 18415 12614 1 17 . 1 1 49 49 PHE N N 49 118.413 118.413 115.842 2.571 18415 12615 1 17 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.240 -0.261 18415 12616 1 17 . 1 1 49 49 PHE C C 49 177.254 177.254 177.824 -0.570 18415 12617 1 17 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.400 -0.238 18415 12618 1 17 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.235 -1.152 18415 12619 1 17 . 1 1 49 49 PHE H H 49 7.473 7.473 7.911 -0.438 18415 12620 1 17 . 1 1 50 50 ILE N N 50 117.601 117.601 122.440 -4.839 18415 12621 1 17 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.906 -0.365 18415 12622 1 17 . 1 1 50 50 ILE C C 50 176.891 176.891 176.733 0.158 18415 12623 1 17 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.477 -2.825 18415 12624 1 17 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.961 1.248 18415 12625 1 17 . 1 1 50 50 ILE H H 50 7.020 7.020 7.778 -0.758 18415 12626 1 17 . 1 1 51 51 ILE N N 51 114.824 114.824 115.386 -0.562 18415 12627 1 17 . 1 1 51 51 ILE HA H 51 2.893 2.893 3.102 -0.209 18415 12628 1 17 . 1 1 51 51 ILE C C 51 177.092 177.092 176.645 0.447 18415 12629 1 17 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.103 1.101 18415 12630 1 17 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.151 0.769 18415 12631 1 17 . 1 1 51 51 ILE H H 51 7.216 7.216 7.739 -0.523 18415 12632 1 17 . 1 1 52 52 GLN N N 52 116.767 116.767 118.405 -1.638 18415 12633 1 17 . 1 1 52 52 GLN HA H 52 3.770 3.770 4.041 -0.271 18415 12634 1 17 . 1 1 52 52 GLN C C 52 176.442 176.442 176.852 -0.410 18415 12635 1 17 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.511 -0.241 18415 12636 1 17 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.988 0.032 18415 12637 1 17 . 1 1 52 52 GLN H H 52 6.416 6.416 7.231 -0.815 18415 12638 1 17 . 1 1 53 53 PHE N N 53 115.400 115.400 116.613 -1.213 18415 12639 1 17 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.365 0.212 18415 12640 1 17 . 1 1 53 53 PHE C C 53 174.993 174.993 175.976 -0.983 18415 12641 1 17 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.236 -2.341 18415 12642 1 17 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.904 -0.370 18415 12643 1 17 . 1 1 53 53 PHE H H 53 7.216 7.216 7.351 -0.135 18415 12644 1 17 . 1 1 54 54 LEU N N 54 118.096 118.096 119.387 -1.291 18415 12645 1 17 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.998 0.093 18415 12646 1 17 . 1 1 54 54 LEU C C 54 175.467 175.467 177.226 -1.759 18415 12647 1 17 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.782 -1.211 18415 12648 1 17 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.583 0.124 18415 12649 1 17 . 1 1 54 54 LEU H H 54 6.668 6.668 7.305 -0.637 18415 12650 1 17 . 1 1 55 55 ASP N N 55 123.723 123.723 121.914 1.809 18415 12651 1 17 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.513 0.302 18415 12652 1 17 . 1 1 55 55 ASP C C 55 177.896 177.896 176.785 1.111 18415 12653 1 17 . 1 1 55 55 ASP CA C 55 53.098 53.098 56.368 -3.270 18415 12654 1 17 . 1 1 55 55 ASP CB C 55 42.662 42.662 41.277 1.385 18415 12655 1 17 . 1 1 55 55 ASP H H 55 8.687 8.687 8.855 -0.168 18415 12656 1 17 . 1 1 56 56 ARG N N 56 124.370 124.370 113.111 11.259 18415 12657 1 17 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.930 0.380 18415 12658 1 17 . 1 1 56 56 ARG C C 56 178.201 178.201 175.495 2.706 18415 12659 1 17 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.561 1.397 18415 12660 1 17 . 1 1 56 56 ARG CB C 56 30.578 30.578 27.535 3.043 18415 12661 1 17 . 1 1 56 56 ARG H H 56 8.758 8.758 8.943 -0.185 18415 12662 1 17 . 1 1 57 57 ARG N N 57 120.411 120.411 117.248 3.163 18415 12663 1 17 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.373 -0.079 18415 12664 1 17 . 1 1 57 57 ARG C C 57 177.064 177.064 175.055 2.009 18415 12665 1 17 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.629 0.903 18415 12666 1 17 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.723 -1.030 18415 12667 1 17 . 1 1 57 57 ARG H H 57 9.150 9.150 8.416 0.734 18415 12668 1 17 . 1 1 58 58 LEU N N 58 119.445 119.445 119.239 0.206 18415 12669 1 17 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.655 0.049 18415 12670 1 17 . 1 1 58 58 LEU C C 58 176.450 176.450 175.684 0.766 18415 12671 1 17 . 1 1 58 58 LEU CA C 58 54.279 54.279 52.670 1.609 18415 12672 1 17 . 1 1 58 58 LEU CB C 58 43.258 43.258 45.086 -1.828 18415 12673 1 17 . 1 1 58 58 LEU H H 58 8.328 8.328 7.891 0.437 18415 12674 1 17 . 1 1 59 59 SER N N 59 116.536 116.536 114.779 1.757 18415 12675 1 17 . 1 1 59 59 SER HA H 59 5.505 5.505 5.061 0.444 18415 12676 1 17 . 1 1 59 59 SER C C 59 173.263 173.263 173.474 -0.211 18415 12677 1 17 . 1 1 59 59 SER CA C 59 57.199 57.199 56.883 0.316 18415 12678 1 17 . 1 1 59 59 SER CB C 59 65.064 65.064 64.251 0.813 18415 12679 1 17 . 1 1 59 59 SER H H 59 8.470 8.470 8.422 0.048 18415 12680 1 17 . 1 1 60 60 TYR N N 60 120.274 120.274 124.292 -4.018 18415 12681 1 17 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.784 -0.507 18415 12682 1 17 . 1 1 60 60 TYR C C 60 175.560 175.560 175.800 -0.240 18415 12683 1 17 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.910 -0.438 18415 12684 1 17 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.260 2.247 18415 12685 1 17 . 1 1 60 60 TYR H H 60 8.897 8.897 9.277 -0.380 18415 12686 1 17 . 1 1 61 61 PHE N N 61 123.635 123.635 122.864 0.771 18415 12687 1 17 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.573 0.715 18415 12688 1 17 . 1 1 61 61 PHE C C 61 175.433 175.433 175.672 -0.239 18415 12689 1 17 . 1 1 61 61 PHE CA C 61 61.075 61.075 61.191 -0.116 18415 12690 1 17 . 1 1 61 61 PHE CB C 61 40.869 40.869 38.859 2.010 18415 12691 1 17 . 1 1 61 61 PHE H H 61 9.521 9.521 9.090 0.431 18415 12692 1 17 . 1 1 62 62 LEU N N 62 114.382 114.382 121.160 -6.778 18415 12693 1 17 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.804 0.269 18415 12694 1 17 . 1 1 62 62 LEU C C 62 179.521 179.521 177.928 1.593 18415 12695 1 17 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.447 -1.664 18415 12696 1 17 . 1 1 62 62 LEU CB C 62 46.276 46.276 43.897 2.379 18415 12697 1 17 . 1 1 62 62 LEU H H 62 8.394 8.394 8.204 0.190 18415 12698 1 17 . 1 1 63 63 GLY N N 63 106.675 106.675 107.163 -0.488 18415 12699 1 17 . 1 1 63 63 GLY C C 63 172.404 172.404 173.827 -1.423 18415 12700 1 17 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.324 3.069 18415 12701 1 17 . 1 1 63 63 GLY H H 63 9.253 9.253 8.792 0.461 18415 12702 1 17 . 1 1 64 64 LEU N N 64 124.754 124.754 122.881 1.873 18415 12703 1 17 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.551 0.033 18415 12704 1 17 . 1 1 64 64 LEU CA C 64 54.302 54.302 54.763 -0.461 18415 12705 1 17 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.332 0.940 18415 12706 1 17 . 1 1 64 64 LEU H H 64 6.840 6.840 7.776 -0.936 18415 12707 1 17 . 1 1 65 65 ARG N N 65 124.476 124.476 127.157 -2.681 18415 12708 1 17 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.328 0.832 18415 12709 1 17 . 1 1 65 65 ARG C C 65 174.245 174.245 174.154 0.091 18415 12710 1 17 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.756 0.148 18415 12711 1 17 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.957 1.574 18415 12712 1 17 . 1 1 65 65 ARG H H 65 8.218 8.218 8.854 -0.636 18415 12713 1 17 . 1 1 66 66 ASP N N 66 126.754 126.754 125.059 1.695 18415 12714 1 17 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.655 -0.226 18415 12715 1 17 . 1 1 66 66 ASP C C 66 176.516 176.516 173.927 2.589 18415 12716 1 17 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.772 -0.918 18415 12717 1 17 . 1 1 66 66 ASP CB C 66 39.768 39.768 43.968 -4.200 18415 12718 1 17 . 1 1 66 66 ASP H H 66 8.756 8.756 8.282 0.474 18415 12719 1 17 . 1 1 67 67 GLU N N 67 123.390 123.390 123.057 0.333 18415 12720 1 17 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.512 -0.736 18415 12721 1 17 . 1 1 67 67 GLU C C 67 175.648 175.648 175.224 0.424 18415 12722 1 17 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.679 3.169 18415 12723 1 17 . 1 1 67 67 GLU CB C 67 30.316 30.316 32.240 -1.924 18415 12724 1 17 . 1 1 67 67 GLU H H 67 8.488 8.488 8.424 0.064 18415 12725 1 17 . 1 1 68 68 ASN N N 68 114.882 114.882 119.600 -4.718 18415 12726 1 17 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.305 0.359 18415 12727 1 17 . 1 1 68 68 ASN C C 68 174.482 174.482 174.254 0.228 18415 12728 1 17 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.338 -1.424 18415 12729 1 17 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.291 2.121 18415 12730 1 17 . 1 1 68 68 ASN H H 68 8.336 8.336 8.971 -0.635 18415 12731 1 17 . 1 1 69 69 ALA N N 69 118.915 118.915 117.031 1.884 18415 12732 1 17 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.788 0.086 18415 12733 1 17 . 1 1 69 69 ALA C C 69 177.082 177.082 175.929 1.153 18415 12734 1 17 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.254 0.378 18415 12735 1 17 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.891 -0.720 18415 12736 1 17 . 1 1 69 69 ALA H H 69 7.444 7.444 7.847 -0.403 18415 12737 1 17 . 1 1 70 70 LYS N N 70 117.439 117.439 122.548 -5.109 18415 12738 1 17 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.454 -0.136 18415 12739 1 17 . 1 1 70 70 LYS C C 70 177.726 177.726 176.651 1.075 18415 12740 1 17 . 1 1 70 70 LYS CA C 70 55.423 55.423 55.169 0.254 18415 12741 1 17 . 1 1 70 70 LYS CB C 70 32.736 32.736 34.179 -1.443 18415 12742 1 17 . 1 1 70 70 LYS H H 70 7.925 7.925 8.995 -1.070 18415 12743 1 17 . 1 1 71 71 GLY C C 71 175.127 175.127 174.229 0.898 18415 12744 1 17 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.356 0.318 18415 12745 1 17 . 1 1 72 72 GLN N N 72 124.084 124.084 119.726 4.358 18415 12746 1 17 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.377 0.014 18415 12747 1 17 . 1 1 72 72 GLN C C 72 174.283 174.283 174.613 -0.330 18415 12748 1 17 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.195 -1.038 18415 12749 1 17 . 1 1 72 72 GLN CB C 72 27.633 27.633 30.108 -2.475 18415 12750 1 17 . 1 1 72 72 GLN H H 72 7.749 7.749 7.835 -0.086 18415 12751 1 17 . 1 1 73 73 TRP N N 73 121.803 121.803 123.137 -1.334 18415 12752 1 17 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.319 -0.414 18415 12753 1 17 . 1 1 73 73 TRP C C 73 175.776 175.776 176.104 -0.328 18415 12754 1 17 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.826 -1.005 18415 12755 1 17 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.128 -0.252 18415 12756 1 17 . 1 1 73 73 TRP H H 73 6.599 6.599 8.521 -1.922 18415 12757 1 17 . 1 1 74 74 ARG N N 74 119.549 119.549 120.019 -0.470 18415 12758 1 17 . 1 1 74 74 ARG HA H 74 4.706 4.706 5.012 -0.306 18415 12759 1 17 . 1 1 74 74 ARG C C 74 176.980 176.980 174.902 2.078 18415 12760 1 17 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.528 -0.195 18415 12761 1 17 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.606 0.017 18415 12762 1 17 . 1 1 74 74 ARG H H 74 8.443 8.443 8.028 0.415 18415 12763 1 17 . 1 1 75 75 TRP N N 75 125.690 125.690 119.611 6.079 18415 12764 1 17 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.607 -0.180 18415 12765 1 17 . 1 1 75 75 TRP C C 75 180.474 180.474 179.073 1.401 18415 12766 1 17 . 1 1 75 75 TRP CA C 75 55.766 55.766 56.099 -0.333 18415 12767 1 17 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.661 0.369 18415 12768 1 17 . 1 1 75 75 TRP H H 75 9.052 9.052 8.751 0.301 18415 12769 1 17 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.238 0.040 18415 12770 1 17 . 1 1 76 76 VAL C C 76 175.431 175.431 174.749 0.682 18415 12771 1 17 . 1 1 76 76 VAL CA C 76 64.564 64.564 62.651 1.913 18415 12772 1 17 . 1 1 76 76 VAL CB C 76 32.369 32.369 30.127 2.242 18415 12773 1 17 . 1 1 77 77 ASP N N 77 119.941 119.941 120.662 -0.721 18415 12774 1 17 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.694 -0.716 18415 12775 1 17 . 1 1 77 77 ASP C C 77 176.293 176.293 175.126 1.167 18415 12776 1 17 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.813 -1.054 18415 12777 1 17 . 1 1 77 77 ASP CB C 77 40.410 40.410 42.283 -1.873 18415 12778 1 17 . 1 1 77 77 ASP H H 77 8.004 8.004 7.875 0.129 18415 12779 1 17 . 1 1 78 78 GLN N N 78 109.962 109.962 119.135 -9.173 18415 12780 1 17 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.385 -0.260 18415 12781 1 17 . 1 1 78 78 GLN C C 78 176.387 176.387 175.737 0.650 18415 12782 1 17 . 1 1 78 78 GLN CA C 78 57.792 57.792 57.131 0.661 18415 12783 1 17 . 1 1 78 78 GLN CB C 78 26.101 26.101 28.872 -2.771 18415 12784 1 17 . 1 1 78 78 GLN H H 78 8.124 8.124 8.560 -0.436 18415 12785 1 17 . 1 1 79 79 THR N N 79 121.656 121.656 118.509 3.147 18415 12786 1 17 . 1 1 79 79 THR HA H 79 4.250 4.250 4.676 -0.426 18415 12787 1 17 . 1 1 79 79 THR C C 79 172.901 172.901 172.705 0.196 18415 12788 1 17 . 1 1 79 79 THR CA C 79 63.165 63.165 60.707 2.458 18415 12789 1 17 . 1 1 79 79 THR CB C 79 69.427 69.427 68.904 0.523 18415 12790 1 17 . 1 1 79 79 THR H H 79 8.172 8.172 7.879 0.293 18415 12791 1 17 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.677 -0.155 18415 12792 1 17 . 1 1 80 80 PRO C C 80 176.940 176.940 176.061 0.879 18415 12793 1 17 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.690 0.998 18415 12794 1 17 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.527 -0.340 18415 12795 1 17 . 1 1 81 81 PHE N N 81 125.403 125.403 122.764 2.639 18415 12796 1 17 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.325 0.584 18415 12797 1 17 . 1 1 81 81 PHE C C 81 174.853 174.853 174.704 0.149 18415 12798 1 17 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.674 -0.321 18415 12799 1 17 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.778 0.241 18415 12800 1 17 . 1 1 81 81 PHE H H 81 9.015 9.015 8.222 0.793 18415 12801 1 17 . 1 1 82 82 ASN N N 82 129.264 129.264 126.557 2.707 18415 12802 1 17 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.955 0.100 18415 12803 1 17 . 1 1 82 82 ASN C C 82 173.643 173.643 173.613 0.030 18415 12804 1 17 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.563 -1.760 18415 12805 1 17 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.333 0.162 18415 12806 1 17 . 1 1 82 82 ASN H H 82 8.985 8.985 8.316 0.669 18415 12807 1 17 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.169 -0.166 18415 12808 1 17 . 1 1 83 83 PRO C C 83 177.123 177.123 176.844 0.279 18415 12809 1 17 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.389 -0.604 18415 12810 1 17 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.019 0.495 18415 12811 1 17 . 1 1 84 84 ARG N N 84 114.801 114.801 115.987 -1.186 18415 12812 1 17 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.291 0.032 18415 12813 1 17 . 1 1 84 84 ARG C C 84 176.890 176.890 175.795 1.095 18415 12814 1 17 . 1 1 84 84 ARG CA C 84 56.003 56.003 55.481 0.521 18415 12815 1 17 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.115 0.043 18415 12816 1 17 . 1 1 84 84 ARG H H 84 7.697 7.697 7.854 -0.157 18415 12817 1 17 . 1 1 85 85 ARG N N 85 123.958 123.958 120.680 3.278 18415 12818 1 17 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.256 0.049 18415 12819 1 17 . 1 1 85 85 ARG C C 85 173.017 173.017 173.656 -0.639 18415 12820 1 17 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.654 -0.845 18415 12821 1 17 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.688 -0.648 18415 12822 1 17 . 1 1 85 85 ARG H H 85 7.596 7.596 7.468 0.128 18415 12823 1 17 . 1 1 86 86 VAL N N 86 110.039 110.039 119.027 -8.988 18415 12824 1 17 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.124 0.675 18415 12825 1 17 . 1 1 86 86 VAL CA C 86 58.266 58.266 59.732 -1.466 18415 12826 1 17 . 1 1 86 86 VAL CB C 86 34.226 34.226 34.282 -0.056 18415 12827 1 17 . 1 1 86 86 VAL H H 86 6.570 6.570 7.353 -0.783 18415 12828 1 17 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.600 -0.278 18415 12829 1 17 . 1 1 87 87 PHE C C 87 173.471 173.471 174.320 -0.849 18415 12830 1 17 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.911 -0.534 18415 12831 1 17 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.433 -1.049 18415 12832 1 17 . 1 1 88 88 TRP N N 88 118.538 118.538 122.518 -3.980 18415 12833 1 17 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.612 0.190 18415 12834 1 17 . 1 1 88 88 TRP C C 88 179.297 179.297 176.750 2.547 18415 12835 1 17 . 1 1 88 88 TRP CA C 88 57.237 57.237 58.344 -1.107 18415 12836 1 17 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.488 1.062 18415 12837 1 17 . 1 1 88 88 TRP H H 88 6.633 6.633 8.113 -1.480 18415 12838 1 17 . 1 1 89 89 HIS N N 89 122.693 122.693 117.748 4.945 18415 12839 1 17 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.821 -0.450 18415 12840 1 17 . 1 1 89 89 HIS C C 89 175.621 175.621 175.657 -0.036 18415 12841 1 17 . 1 1 89 89 HIS CA C 89 58.121 58.121 55.512 2.609 18415 12842 1 17 . 1 1 89 89 HIS CB C 89 32.712 32.712 32.324 0.389 18415 12843 1 17 . 1 1 89 89 HIS H H 89 9.473 9.473 9.667 -0.194 18415 12844 1 17 . 1 1 90 90 LYS N N 90 120.826 120.826 118.310 2.516 18415 12845 1 17 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.580 -0.469 18415 12846 1 17 . 1 1 90 90 LYS C C 90 177.228 177.228 175.588 1.640 18415 12847 1 17 . 1 1 90 90 LYS CA C 90 58.242 58.242 55.796 2.446 18415 12848 1 17 . 1 1 90 90 LYS CB C 90 32.482 32.482 33.599 -1.117 18415 12849 1 17 . 1 1 90 90 LYS H H 90 8.741 8.741 8.702 0.039 18415 12850 1 17 . 1 1 91 91 ASN N N 91 117.166 117.166 117.754 -0.588 18415 12851 1 17 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.708 -0.392 18415 12852 1 17 . 1 1 91 91 ASN C C 91 173.391 173.391 173.242 0.149 18415 12853 1 17 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.816 1.519 18415 12854 1 17 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.475 -2.090 18415 12855 1 17 . 1 1 91 91 ASN H H 91 8.906 8.906 8.278 0.628 18415 12856 1 17 . 1 1 92 92 GLU N N 92 116.991 116.991 122.096 -5.105 18415 12857 1 17 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.835 -0.548 18415 12858 1 17 . 1 1 92 92 GLU C C 92 173.188 173.188 174.456 -1.268 18415 12859 1 17 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.849 -0.578 18415 12860 1 17 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.483 -0.029 18415 12861 1 17 . 1 1 92 92 GLU H H 92 7.738 7.738 8.274 -0.536 18415 12862 1 17 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.478 0.166 18415 12863 1 17 . 1 1 95 95 ASN C C 95 175.699 175.699 175.589 0.110 18415 12864 1 17 . 1 1 95 95 ASN CA C 95 53.459 53.459 54.725 -1.266 18415 12865 1 17 . 1 1 95 95 ASN CB C 95 38.725 38.725 38.802 -0.077 18415 12866 1 17 . 1 1 96 96 SER N N 96 116.489 116.489 115.734 0.755 18415 12867 1 17 . 1 1 96 96 SER HA H 96 4.405 4.405 4.479 -0.074 18415 12868 1 17 . 1 1 96 96 SER C C 96 174.831 174.831 173.578 1.253 18415 12869 1 17 . 1 1 96 96 SER CA C 96 58.753 58.753 59.106 -0.353 18415 12870 1 17 . 1 1 96 96 SER CB C 96 64.216 64.216 63.311 0.905 18415 12871 1 17 . 1 1 96 96 SER H H 96 8.118 8.118 8.225 -0.107 18415 12872 1 17 . 1 1 97 97 GLN N N 97 121.023 121.023 126.167 -5.144 18415 12873 1 17 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.539 -0.287 18415 12874 1 17 . 1 1 97 97 GLN C C 97 176.063 176.063 174.724 1.339 18415 12875 1 17 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.132 0.825 18415 12876 1 17 . 1 1 97 97 GLN CB C 97 29.528 29.528 30.129 -0.601 18415 12877 1 17 . 1 1 97 97 GLN H H 97 8.371 8.371 8.540 -0.169 18415 12878 1 17 . 1 1 98 98 GLY N N 98 110.498 110.498 111.094 -0.596 18415 12879 1 17 . 1 1 98 98 GLY C C 98 172.460 172.460 173.822 -1.362 18415 12880 1 17 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.076 -0.140 18415 12881 1 17 . 1 1 98 98 GLY H H 98 8.080 8.080 9.362 -1.282 18415 12882 1 17 . 1 1 99 99 GLU N N 99 119.919 119.919 119.334 0.585 18415 12883 1 17 . 1 1 99 99 GLU HA H 99 4.271 4.271 3.792 0.479 18415 12884 1 17 . 1 1 99 99 GLU C C 99 176.605 176.605 174.990 1.615 18415 12885 1 17 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.843 -0.335 18415 12886 1 17 . 1 1 99 99 GLU CB C 99 29.469 29.469 28.175 1.294 18415 12887 1 17 . 1 1 99 99 GLU H H 99 8.004 8.004 8.705 -0.701 18415 12888 1 17 . 1 1 100 100 ASN HA H 100 5.280 5.280 4.831 0.449 18415 12889 1 17 . 1 1 100 100 ASN CA C 100 53.381 53.381 54.504 -1.123 18415 12890 1 17 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.318 2.599 18415 12891 1 17 . 1 1 101 101 CYS N N 101 121.118 121.118 124.234 -3.116 18415 12892 1 17 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.801 0.689 18415 12893 1 17 . 1 1 101 101 CYS CA C 101 59.338 59.338 57.897 1.441 18415 12894 1 17 . 1 1 101 101 CYS CB C 101 43.778 43.778 29.278 14.500 18415 12895 1 17 . 1 1 101 101 CYS H H 101 9.707 9.707 9.083 0.624 18415 12896 1 17 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.195 -0.009 18415 12897 1 17 . 1 1 102 102 VAL C C 102 175.530 175.530 175.201 0.329 18415 12898 1 17 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.266 1.767 18415 12899 1 17 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.346 2.808 18415 12900 1 17 . 1 1 103 103 VAL N N 103 115.890 115.890 118.678 -2.788 18415 12901 1 17 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.987 0.361 18415 12902 1 17 . 1 1 103 103 VAL C C 103 175.136 175.136 174.663 0.473 18415 12903 1 17 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.829 -1.092 18415 12904 1 17 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.896 0.238 18415 12905 1 17 . 1 1 103 103 VAL H H 103 8.698 8.698 8.766 -0.068 18415 12906 1 17 . 1 1 104 104 LEU N N 104 124.477 124.477 126.792 -2.315 18415 12907 1 17 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.029 -0.053 18415 12908 1 17 . 1 1 104 104 LEU C C 104 176.248 176.248 175.448 0.800 18415 12909 1 17 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.591 0.402 18415 12910 1 17 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.904 2.938 18415 12911 1 17 . 1 1 104 104 LEU H H 104 9.453 9.453 9.185 0.268 18415 12912 1 17 . 1 1 105 105 VAL N N 105 123.109 123.109 128.474 -5.365 18415 12913 1 17 . 1 1 105 105 VAL HA H 105 5.015 5.015 5.009 0.006 18415 12914 1 17 . 1 1 105 105 VAL C C 105 173.635 173.635 173.558 0.077 18415 12915 1 17 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.498 1.735 18415 12916 1 17 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.494 0.140 18415 12917 1 17 . 1 1 105 105 VAL H H 105 9.477 9.477 8.941 0.536 18415 12918 1 17 . 1 1 106 106 TYR N N 106 136.491 136.491 129.003 7.488 18415 12919 1 17 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.093 0.372 18415 12920 1 17 . 1 1 106 106 TYR C C 106 175.009 175.009 173.971 1.038 18415 12921 1 17 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.886 -0.837 18415 12922 1 17 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.480 0.471 18415 12923 1 17 . 1 1 106 106 TYR H H 106 9.509 9.509 8.369 1.140 18415 12924 1 17 . 1 1 107 107 ASN N N 107 124.433 124.433 124.466 -0.033 18415 12925 1 17 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.698 -0.148 18415 12926 1 17 . 1 1 107 107 ASN C C 107 173.919 173.919 174.525 -0.606 18415 12927 1 17 . 1 1 107 107 ASN CA C 107 52.609 52.609 53.340 -0.731 18415 12928 1 17 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.102 -0.092 18415 12929 1 17 . 1 1 107 107 ASN H H 107 8.329 8.329 8.163 0.166 18415 12930 1 17 . 1 1 108 108 GLN N N 108 119.681 119.681 121.284 -1.603 18415 12931 1 17 . 1 1 108 108 GLN HA H 108 3.654 3.654 4.005 -0.351 18415 12932 1 17 . 1 1 108 108 GLN C C 108 175.060 175.060 174.442 0.618 18415 12933 1 17 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.017 0.589 18415 12934 1 17 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.677 -1.413 18415 12935 1 17 . 1 1 108 108 GLN H H 108 8.558 8.558 8.695 -0.137 18415 12936 1 17 . 1 1 109 109 ASP N N 109 109.712 109.712 113.606 -3.894 18415 12937 1 17 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.681 0.296 18415 12938 1 17 . 1 1 109 109 ASP C C 109 174.354 174.354 174.591 -0.237 18415 12939 1 17 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.556 -0.356 18415 12940 1 17 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.549 -0.523 18415 12941 1 17 . 1 1 109 109 ASP H H 109 8.199 8.199 8.441 -0.242 18415 12942 1 17 . 1 1 110 110 LYS N N 110 115.590 115.590 116.029 -0.439 18415 12943 1 17 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.452 0.100 18415 12944 1 17 . 1 1 110 110 LYS C C 110 174.674 174.674 175.625 -0.951 18415 12945 1 17 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.507 0.962 18415 12946 1 17 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.185 1.404 18415 12947 1 17 . 1 1 110 110 LYS H H 110 7.081 7.081 7.058 0.024 18415 12948 1 17 . 1 1 111 111 TRP N N 111 122.248 122.248 122.537 -0.289 18415 12949 1 17 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.066 0.007 18415 12950 1 17 . 1 1 111 111 TRP C C 111 175.920 175.920 176.647 -0.727 18415 12951 1 17 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.859 -0.671 18415 12952 1 17 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.173 0.696 18415 12953 1 17 . 1 1 111 111 TRP H H 111 8.650 8.650 8.477 0.173 18415 12954 1 17 . 1 1 112 112 ALA N N 112 124.184 124.184 124.395 -0.211 18415 12955 1 17 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.874 -0.706 18415 12956 1 17 . 1 1 112 112 ALA C C 112 174.995 174.995 175.508 -0.513 18415 12957 1 17 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.314 1.001 18415 12958 1 17 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.261 -5.379 18415 12959 1 17 . 1 1 112 112 ALA H H 112 8.790 8.790 9.020 -0.230 18415 12960 1 17 . 1 1 113 113 TRP N N 113 118.725 118.725 120.878 -2.153 18415 12961 1 17 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.356 0.800 18415 12962 1 17 . 1 1 113 113 TRP C C 113 177.471 177.471 176.543 0.928 18415 12963 1 17 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.296 0.319 18415 12964 1 17 . 1 1 113 113 TRP CB C 113 32.374 32.374 28.617 3.757 18415 12965 1 17 . 1 1 113 113 TRP H H 113 8.969 8.969 8.972 -0.003 18415 12966 1 17 . 1 1 114 114 ASN N N 114 120.479 120.479 121.306 -0.827 18415 12967 1 17 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.295 0.195 18415 12968 1 17 . 1 1 114 114 ASN C C 114 174.708 174.708 174.027 0.681 18415 12969 1 17 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.991 -0.233 18415 12970 1 17 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.629 -0.611 18415 12971 1 17 . 1 1 114 114 ASN H H 114 9.518 9.518 9.029 0.489 18415 12972 1 17 . 1 1 115 115 ASP N N 115 118.209 118.209 125.710 -7.501 18415 12973 1 17 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.738 1.133 18415 12974 1 17 . 1 1 115 115 ASP C C 115 174.291 174.291 175.571 -1.280 18415 12975 1 17 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.540 -2.353 18415 12976 1 17 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.437 -0.933 18415 12977 1 17 . 1 1 115 115 ASP H H 115 8.563 8.563 8.820 -0.257 18415 12978 1 17 . 1 1 116 116 VAL N N 116 118.669 118.669 117.977 0.692 18415 12979 1 17 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.637 0.258 18415 12980 1 17 . 1 1 116 116 VAL C C 116 172.334 172.334 173.457 -1.123 18415 12981 1 17 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.802 0.479 18415 12982 1 17 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.079 0.254 18415 12983 1 17 . 1 1 116 116 VAL H H 116 9.369 9.369 8.224 1.145 18415 12984 1 17 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.108 -0.174 18415 12985 1 17 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.399 0.677 18415 12986 1 17 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.842 0.517 18415 12987 1 17 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.414 0.036 18415 12988 1 17 . 1 1 118 118 CYS C C 118 175.583 175.583 175.968 -0.385 18415 12989 1 17 . 1 1 118 118 CYS CA C 118 58.904 58.904 61.864 -2.960 18415 12990 1 17 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.407 17.434 18415 12991 1 17 . 1 1 119 119 ASN N N 119 117.251 117.251 116.406 0.845 18415 12992 1 17 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.931 -0.018 18415 12993 1 17 . 1 1 119 119 ASN C C 119 174.849 174.849 174.799 0.050 18415 12994 1 17 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.022 0.120 18415 12995 1 17 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.590 -1.514 18415 12996 1 17 . 1 1 119 119 ASN H H 119 8.411 8.411 8.503 -0.092 18415 12997 1 17 . 1 1 120 120 PHE N N 120 123.415 123.415 120.904 2.511 18415 12998 1 17 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.760 -0.214 18415 12999 1 17 . 1 1 120 120 PHE C C 120 173.156 173.156 174.817 -1.661 18415 13000 1 17 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.705 1.655 18415 13001 1 17 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.222 0.227 18415 13002 1 17 . 1 1 120 120 PHE H H 120 8.097 8.097 7.923 0.174 18415 13003 1 17 . 1 1 121 121 GLU N N 121 119.143 119.143 124.745 -5.602 18415 13004 1 17 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.252 0.301 18415 13005 1 17 . 1 1 121 121 GLU C C 121 174.732 174.732 175.294 -0.562 18415 13006 1 17 . 1 1 121 121 GLU CA C 121 54.588 54.588 57.247 -2.659 18415 13007 1 17 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.663 0.757 18415 13008 1 17 . 1 1 121 121 GLU H H 121 7.012 7.012 8.575 -1.563 18415 13009 1 17 . 1 1 122 122 ALA N N 122 125.793 125.793 126.906 -1.113 18415 13010 1 17 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.606 -0.135 18415 13011 1 17 . 1 1 122 122 ALA C C 122 177.616 177.616 175.360 2.256 18415 13012 1 17 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.954 0.289 18415 13013 1 17 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.206 -0.604 18415 13014 1 17 . 1 1 122 122 ALA H H 122 8.441 8.441 8.787 -0.346 18415 13015 1 17 . 1 1 123 123 SER N N 123 115.420 115.420 114.655 0.765 18415 13016 1 17 . 1 1 123 123 SER HA H 123 4.522 4.522 5.305 -0.783 18415 13017 1 17 . 1 1 123 123 SER C C 123 172.514 172.514 173.551 -1.037 18415 13018 1 17 . 1 1 123 123 SER CA C 123 60.661 60.661 56.293 4.368 18415 13019 1 17 . 1 1 123 123 SER CB C 123 62.943 62.943 64.268 -1.325 18415 13020 1 17 . 1 1 123 123 SER H H 123 7.716 7.716 8.086 -0.370 18415 13021 1 17 . 1 1 124 124 ARG N N 124 112.529 112.529 117.244 -4.715 18415 13022 1 17 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.879 0.611 18415 13023 1 17 . 1 1 124 124 ARG C C 124 173.779 173.779 173.980 -0.201 18415 13024 1 17 . 1 1 124 124 ARG CA C 124 55.939 55.939 56.124 -0.185 18415 13025 1 17 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.486 -1.560 18415 13026 1 17 . 1 1 124 124 ARG H H 124 8.840 8.840 8.232 0.608 18415 13027 1 17 . 1 1 125 125 ILE N N 125 116.525 116.525 118.942 -2.417 18415 13028 1 17 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.751 -0.033 18415 13029 1 17 . 1 1 125 125 ILE C C 125 175.656 175.656 174.333 1.323 18415 13030 1 17 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.288 1.548 18415 13031 1 17 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.663 -0.106 18415 13032 1 17 . 1 1 125 125 ILE H H 125 6.989 6.989 8.077 -1.088 18415 13033 1 17 . 1 1 126 126 CYS N N 126 123.910 123.910 126.591 -2.681 18415 13034 1 17 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.119 0.452 18415 13035 1 17 . 1 1 126 126 CYS C C 126 173.662 173.662 173.556 0.106 18415 13036 1 17 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.215 -5.375 18415 13037 1 17 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.851 10.290 18415 13038 1 17 . 1 1 126 126 CYS H H 126 8.288 8.288 9.106 -0.818 18415 13039 1 17 . 1 1 127 127 LYS N N 127 124.170 124.170 130.332 -6.162 18415 13040 1 17 . 1 1 127 127 LYS HA H 127 5.619 5.619 4.847 0.772 18415 13041 1 17 . 1 1 127 127 LYS C C 127 174.637 174.637 174.547 0.090 18415 13042 1 17 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.753 0.482 18415 13043 1 17 . 1 1 127 127 LYS CB C 127 38.518 38.518 33.949 4.569 18415 13044 1 17 . 1 1 127 127 LYS H H 127 9.681 9.681 9.432 0.249 18415 13045 1 17 . 1 1 128 128 ILE N N 128 129.226 129.226 126.986 2.240 18415 13046 1 17 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.711 0.189 18415 13047 1 17 . 1 1 128 128 ILE C C 128 172.463 172.463 172.690 -0.227 18415 13048 1 17 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.091 1.293 18415 13049 1 17 . 1 1 128 128 ILE CB C 128 43.888 43.888 42.301 1.587 18415 13050 1 17 . 1 1 128 128 ILE H H 128 9.205 9.205 8.951 0.254 18415 13051 1 17 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.473 0.518 18415 13052 1 17 . 1 1 129 129 PRO C C 129 177.954 177.954 176.722 1.232 18415 13053 1 17 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.241 0.383 18415 13054 1 17 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.306 0.195 18415 13055 1 17 . 1 1 130 130 GLY N N 130 110.745 110.745 108.306 2.439 18415 13056 1 17 . 1 1 130 130 GLY C C 130 175.022 175.022 175.016 0.006 18415 13057 1 17 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.215 1.041 18415 13058 1 17 . 1 1 130 130 GLY H H 130 8.673 8.673 8.029 0.644 18415 13059 1 17 . 1 1 131 131 THR N N 131 112.246 112.246 119.038 -6.792 18415 13060 1 17 . 1 1 131 131 THR HA H 131 4.427 4.427 4.191 0.236 18415 13061 1 17 . 1 1 131 131 THR C C 131 175.259 175.259 175.337 -0.078 18415 13062 1 17 . 1 1 131 131 THR CA C 131 61.500 61.500 61.402 0.098 18415 13063 1 17 . 1 1 131 131 THR CB C 131 69.998 69.998 67.371 2.627 18415 13064 1 17 . 1 1 131 131 THR H H 131 7.870 7.870 7.718 0.152 18415 13065 1 17 . 1 1 132 132 THR N N 132 116.455 116.455 114.207 2.248 18415 13066 1 17 . 1 1 132 132 THR HA H 132 4.281 4.281 4.051 0.230 18415 13067 1 17 . 1 1 132 132 THR C C 132 174.867 174.867 175.070 -0.203 18415 13068 1 17 . 1 1 132 132 THR CA C 132 62.453 62.453 64.704 -2.251 18415 13069 1 17 . 1 1 132 132 THR CB C 132 69.868 69.868 68.045 1.823 18415 13070 1 17 . 1 1 132 132 THR H H 132 8.120 8.120 7.730 0.390 18415 13071 1 17 . 1 1 133 133 LEU N N 133 124.001 124.001 118.689 5.312 18415 13072 1 17 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.154 0.108 18415 13073 1 17 . 1 1 133 133 LEU C C 133 177.365 177.365 177.575 -0.210 18415 13074 1 17 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.069 -0.322 18415 13075 1 17 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.423 0.899 18415 13076 1 17 . 1 1 133 133 LEU H H 133 8.117 8.117 7.643 0.474 18415 13077 1 17 . 1 1 134 134 ASN N N 134 119.222 119.222 117.666 1.556 18415 13078 1 17 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.662 -0.041 18415 13079 1 17 . 1 1 134 134 ASN C C 134 175.725 175.725 176.167 -0.442 18415 13080 1 17 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.081 -1.456 18415 13081 1 17 . 1 1 134 134 ASN CB C 134 38.836 38.836 40.021 -1.185 18415 13082 1 17 . 1 1 134 134 ASN H H 134 8.325 8.325 7.758 0.567 18415 13083 1 17 . 1 1 135 135 ALA N N 135 123.649 123.649 122.805 0.844 18415 13084 1 17 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.515 -0.386 18415 13085 1 17 . 1 1 135 135 ALA C C 135 179.061 179.061 178.294 0.767 18415 13086 1 17 . 1 1 135 135 ALA CA C 135 53.932 53.932 52.480 1.452 18415 13087 1 17 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.493 0.446 18415 13088 1 17 . 1 1 135 135 ALA H H 135 8.205 8.205 7.447 0.758 18415 13089 1 17 . 1 1 136 136 GLU N N 136 119.187 119.187 119.975 -0.788 18415 13090 1 17 . 1 1 136 136 GLU HA H 136 4.205 4.205 3.936 0.269 18415 13091 1 17 . 1 1 136 136 GLU C C 136 177.504 177.504 178.504 -1.000 18415 13092 1 17 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.396 -1.517 18415 13093 1 17 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.589 1.057 18415 13094 1 17 . 1 1 136 136 GLU H H 136 8.349 8.349 8.601 -0.252 18415 13095 1 17 . 1 1 137 137 ASN N N 137 118.988 118.988 117.516 1.472 18415 13096 1 17 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.715 -0.078 18415 13097 1 17 . 1 1 137 137 ASN C C 137 176.785 176.785 177.471 -0.686 18415 13098 1 17 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.074 -0.600 18415 13099 1 17 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.270 0.439 18415 13100 1 17 . 1 1 137 137 ASN H H 137 8.259 8.259 8.346 -0.087 18415 13101 1 17 . 1 1 138 138 LEU N N 138 121.438 121.438 121.216 0.222 18415 13102 1 17 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.095 0.040 18415 13103 1 17 . 1 1 138 138 LEU C C 138 178.872 178.872 178.613 0.259 18415 13104 1 17 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.772 -0.845 18415 13105 1 17 . 1 1 138 138 LEU CB C 138 42.001 42.001 40.666 1.335 18415 13106 1 17 . 1 1 138 138 LEU H H 138 8.084 8.084 7.810 0.274 18415 13107 1 17 . 1 1 139 139 TYR N N 139 120.558 120.558 119.113 1.445 18415 13108 1 17 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.313 -0.027 18415 13109 1 17 . 1 1 139 139 TYR C C 139 177.587 177.587 178.103 -0.516 18415 13110 1 17 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.066 -0.921 18415 13111 1 17 . 1 1 139 139 TYR CB C 139 38.366 38.366 39.071 -0.704 18415 13112 1 17 . 1 1 139 139 TYR H H 139 8.130 8.130 8.249 -0.119 18415 13113 1 17 . 1 1 140 140 PHE N N 140 120.508 120.508 120.835 -0.327 18415 13114 1 17 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.234 0.121 18415 13115 1 17 . 1 1 140 140 PHE C C 140 177.425 177.425 176.674 0.751 18415 13116 1 17 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.620 -0.989 18415 13117 1 17 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.375 -0.123 18415 13118 1 17 . 1 1 140 140 PHE H H 140 8.275 8.275 7.932 0.343 18415 13119 1 17 . 1 1 141 141 GLN N N 141 119.274 119.274 117.236 2.038 18415 13120 1 17 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.304 -0.191 18415 13121 1 17 . 1 1 141 141 GLN C C 141 176.976 176.976 175.703 1.273 18415 13122 1 17 . 1 1 141 141 GLN CA C 141 57.363 57.363 55.886 1.477 18415 13123 1 17 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.112 -0.084 18415 13124 1 17 . 1 1 141 141 GLN H H 141 8.250 8.250 8.041 0.209 18415 13125 1 18 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.113 -0.326 18415 13126 1 18 . 1 1 2 2 VAL C C 2 172.250 172.250 174.590 -2.340 18415 13127 1 18 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.684 -1.390 18415 13128 1 18 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.717 1.991 18415 13129 1 18 . 1 1 3 3 CYS N N 3 121.988 121.988 125.575 -3.587 18415 13130 1 18 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.921 0.284 18415 13131 1 18 . 1 1 3 3 CYS C C 3 171.993 171.993 172.610 -0.617 18415 13132 1 18 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.743 -4.699 18415 13133 1 18 . 1 1 3 3 CYS CB C 3 39.461 39.461 29.427 10.034 18415 13134 1 18 . 1 1 3 3 CYS H H 3 8.628 8.628 8.635 -0.007 18415 13135 1 18 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.812 0.011 18415 13136 1 18 . 1 1 5 5 ILE C C 5 176.622 176.622 176.769 -0.147 18415 13137 1 18 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.061 1.239 18415 13138 1 18 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.222 0.822 18415 13139 1 18 . 1 1 6 6 ASP N N 6 117.894 117.894 118.028 -0.134 18415 13140 1 18 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.503 -0.159 18415 13141 1 18 . 1 1 6 6 ASP H H 6 8.606 8.606 8.361 0.245 18415 13142 1 18 . 1 1 7 7 TRP N N 7 120.564 120.564 119.819 0.745 18415 13143 1 18 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.764 -0.074 18415 13144 1 18 . 1 1 7 7 TRP C C 7 176.415 176.415 176.200 0.215 18415 13145 1 18 . 1 1 7 7 TRP CA C 7 58.038 58.038 56.914 1.124 18415 13146 1 18 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.561 -0.790 18415 13147 1 18 . 1 1 7 7 TRP H H 7 8.208 8.208 7.700 0.508 18415 13148 1 18 . 1 1 8 8 ARG N N 8 119.872 119.872 125.175 -5.303 18415 13149 1 18 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.324 0.362 18415 13150 1 18 . 1 1 8 8 ARG C C 8 176.146 176.146 175.653 0.493 18415 13151 1 18 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.559 -0.618 18415 13152 1 18 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.735 1.828 18415 13153 1 18 . 1 1 8 8 ARG H H 8 9.456 9.456 8.875 0.581 18415 13154 1 18 . 1 1 9 9 ALA N N 9 127.265 127.265 130.681 -3.416 18415 13155 1 18 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.424 0.967 18415 13156 1 18 . 1 1 9 9 ALA C C 9 176.927 176.927 176.306 0.621 18415 13157 1 18 . 1 1 9 9 ALA CA C 9 52.010 52.010 52.330 -0.320 18415 13158 1 18 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.366 3.297 18415 13159 1 18 . 1 1 9 9 ALA H H 9 8.819 8.819 8.213 0.606 18415 13160 1 18 . 1 1 10 10 PHE N N 10 120.450 120.450 127.596 -7.146 18415 13161 1 18 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.772 -0.578 18415 13162 1 18 . 1 1 10 10 PHE C C 10 174.606 174.606 174.403 0.203 18415 13163 1 18 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.483 1.044 18415 13164 1 18 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.627 -0.766 18415 13165 1 18 . 1 1 10 10 PHE H H 10 8.202 8.202 8.941 -0.739 18415 13166 1 18 . 1 1 11 11 GLN N N 11 126.391 126.391 123.525 2.866 18415 13167 1 18 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.489 -0.028 18415 13168 1 18 . 1 1 11 11 GLN C C 11 175.859 175.859 176.402 -0.543 18415 13169 1 18 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.056 -0.804 18415 13170 1 18 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.087 -1.125 18415 13171 1 18 . 1 1 11 11 GLN H H 11 8.872 8.872 8.503 0.369 18415 13172 1 18 . 1 1 12 12 SER N N 12 113.087 113.087 116.404 -3.317 18415 13173 1 18 . 1 1 12 12 SER HA H 12 4.252 4.252 4.258 -0.006 18415 13174 1 18 . 1 1 12 12 SER C C 12 173.339 173.339 174.155 -0.816 18415 13175 1 18 . 1 1 12 12 SER CA C 12 59.795 59.795 59.409 0.386 18415 13176 1 18 . 1 1 12 12 SER CB C 12 62.943 62.943 63.469 -0.526 18415 13177 1 18 . 1 1 12 12 SER H H 12 8.189 8.189 8.208 -0.019 18415 13178 1 18 . 1 1 13 13 ASN N N 13 118.336 118.336 118.493 -0.157 18415 13179 1 18 . 1 1 13 13 ASN HA H 13 5.256 5.256 4.743 0.513 18415 13180 1 18 . 1 1 13 13 ASN C C 13 174.330 174.330 173.837 0.493 18415 13181 1 18 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.604 -0.262 18415 13182 1 18 . 1 1 13 13 ASN CB C 13 43.458 43.458 40.231 3.227 18415 13183 1 18 . 1 1 13 13 ASN H H 13 8.242 8.242 7.646 0.596 18415 13184 1 18 . 1 1 14 14 CYS N N 14 118.315 118.315 116.793 1.522 18415 13185 1 18 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.000 0.861 18415 13186 1 18 . 1 1 14 14 CYS C C 14 174.314 174.314 173.058 1.256 18415 13187 1 18 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.384 -4.699 18415 13188 1 18 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.542 14.477 18415 13189 1 18 . 1 1 14 14 CYS H H 14 8.592 8.592 8.575 0.017 18415 13190 1 18 . 1 1 15 15 TYR N N 15 121.588 121.588 121.694 -0.106 18415 13191 1 18 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.086 0.691 18415 13192 1 18 . 1 1 15 15 TYR C C 15 176.333 176.333 174.340 1.993 18415 13193 1 18 . 1 1 15 15 TYR CA C 15 57.616 57.616 56.175 1.440 18415 13194 1 18 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.103 3.480 18415 13195 1 18 . 1 1 15 15 TYR H H 15 9.947 9.947 9.365 0.582 18415 13196 1 18 . 1 1 16 16 PHE N N 16 121.989 121.989 123.921 -1.932 18415 13197 1 18 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.873 0.038 18415 13198 1 18 . 1 1 16 16 PHE C C 16 172.937 172.937 172.767 0.170 18415 13199 1 18 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.808 -0.410 18415 13200 1 18 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.178 -2.107 18415 13201 1 18 . 1 1 16 16 PHE H H 16 8.717 8.717 9.194 -0.477 18415 13202 1 18 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.817 0.299 18415 13203 1 18 . 1 1 17 17 PRO C C 17 175.445 175.445 175.193 0.252 18415 13204 1 18 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.754 -0.266 18415 13205 1 18 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.078 -0.087 18415 13206 1 18 . 1 1 18 18 LEU N N 18 126.062 126.062 125.242 0.820 18415 13207 1 18 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.534 0.147 18415 13208 1 18 . 1 1 18 18 LEU C C 18 177.391 177.391 177.930 -0.539 18415 13209 1 18 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.900 1.460 18415 13210 1 18 . 1 1 18 18 LEU CB C 18 45.482 45.482 43.829 1.653 18415 13211 1 18 . 1 1 18 18 LEU H H 18 9.054 9.054 9.149 -0.096 18415 13212 1 18 . 1 1 19 19 THR N N 19 109.256 109.256 112.555 -3.299 18415 13213 1 18 . 1 1 19 19 THR HA H 19 4.612 4.612 4.204 0.408 18415 13214 1 18 . 1 1 19 19 THR C C 19 175.613 175.613 174.234 1.379 18415 13215 1 18 . 1 1 19 19 THR CA C 19 62.236 62.236 62.040 0.196 18415 13216 1 18 . 1 1 19 19 THR CB C 19 69.530 69.530 69.051 0.479 18415 13217 1 18 . 1 1 19 19 THR H H 19 8.303 8.303 8.597 -0.294 18415 13218 1 18 . 1 1 20 20 ASP N N 20 121.645 121.645 122.367 -0.722 18415 13219 1 18 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.500 -0.043 18415 13220 1 18 . 1 1 20 20 ASP C C 20 174.684 174.684 175.458 -0.774 18415 13221 1 18 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.726 -0.608 18415 13222 1 18 . 1 1 20 20 ASP CB C 20 40.069 40.069 42.151 -2.082 18415 13223 1 18 . 1 1 20 20 ASP H H 20 8.834 8.834 7.855 0.979 18415 13224 1 18 . 1 1 21 21 ASN N N 21 118.648 118.648 120.238 -1.590 18415 13225 1 18 . 1 1 21 21 ASN HA H 21 4.646 4.646 5.059 -0.413 18415 13226 1 18 . 1 1 21 21 ASN C C 21 176.542 176.542 174.889 1.653 18415 13227 1 18 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.262 1.190 18415 13228 1 18 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.524 0.929 18415 13229 1 18 . 1 1 21 21 ASN H H 21 8.113 8.113 8.464 -0.351 18415 13230 1 18 . 1 1 22 22 LYS N N 22 122.470 122.470 125.116 -2.646 18415 13231 1 18 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.766 0.090 18415 13232 1 18 . 1 1 22 22 LYS C C 22 176.711 176.711 175.814 0.897 18415 13233 1 18 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.181 1.484 18415 13234 1 18 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.350 2.189 18415 13235 1 18 . 1 1 22 22 LYS H H 22 8.794 8.794 8.368 0.426 18415 13236 1 18 . 1 1 23 23 THR N N 23 109.009 109.009 113.635 -4.626 18415 13237 1 18 . 1 1 23 23 THR HA H 23 5.647 5.647 4.958 0.689 18415 13238 1 18 . 1 1 23 23 THR C C 23 178.411 178.411 175.591 2.820 18415 13239 1 18 . 1 1 23 23 THR CA C 23 61.773 61.773 60.995 0.778 18415 13240 1 18 . 1 1 23 23 THR CB C 23 71.820 71.820 70.406 1.414 18415 13241 1 18 . 1 1 23 23 THR H H 23 8.250 8.250 8.753 -0.503 18415 13242 1 18 . 1 1 24 24 TRP N N 24 126.345 126.345 123.549 2.796 18415 13243 1 18 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.581 -0.551 18415 13244 1 18 . 1 1 24 24 TRP C C 24 178.204 178.204 176.865 1.339 18415 13245 1 18 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.540 2.041 18415 13246 1 18 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.102 1.552 18415 13247 1 18 . 1 1 24 24 TRP H H 24 8.279 8.279 8.446 -0.167 18415 13248 1 18 . 1 1 25 25 ALA N N 25 119.965 119.965 119.976 -0.011 18415 13249 1 18 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.803 0.145 18415 13250 1 18 . 1 1 25 25 ALA C C 25 182.089 182.089 179.634 2.455 18415 13251 1 18 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.043 0.847 18415 13252 1 18 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.070 0.185 18415 13253 1 18 . 1 1 25 25 ALA H H 25 9.634 9.634 7.927 1.707 18415 13254 1 18 . 1 1 26 26 GLU N N 26 116.492 116.492 118.160 -1.668 18415 13255 1 18 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.906 0.157 18415 13256 1 18 . 1 1 26 26 GLU C C 26 179.756 179.756 178.879 0.877 18415 13257 1 18 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.116 -0.821 18415 13258 1 18 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.349 1.134 18415 13259 1 18 . 1 1 26 26 GLU H H 26 7.392 7.392 7.659 -0.267 18415 13260 1 18 . 1 1 27 27 SER N N 27 121.197 121.197 115.815 5.382 18415 13261 1 18 . 1 1 27 27 SER HA H 27 3.855 3.855 4.049 -0.194 18415 13262 1 18 . 1 1 27 27 SER C C 27 174.299 174.299 176.297 -1.998 18415 13263 1 18 . 1 1 27 27 SER CA C 27 63.344 63.344 61.965 1.379 18415 13264 1 18 . 1 1 27 27 SER CB C 27 62.329 62.329 62.945 -0.616 18415 13265 1 18 . 1 1 27 27 SER H H 27 8.596 8.596 8.435 0.161 18415 13266 1 18 . 1 1 28 28 GLU N N 28 124.173 124.173 120.569 3.604 18415 13267 1 18 . 1 1 28 28 GLU HA H 28 4.268 4.268 4.090 0.178 18415 13268 1 18 . 1 1 28 28 GLU C C 28 178.856 178.856 177.884 0.972 18415 13269 1 18 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.402 0.797 18415 13270 1 18 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.031 -2.131 18415 13271 1 18 . 1 1 28 28 GLU H H 28 8.133 8.133 7.484 0.649 18415 13272 1 18 . 1 1 29 29 ARG N N 29 120.498 120.498 117.887 2.611 18415 13273 1 18 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.077 -0.034 18415 13274 1 18 . 1 1 29 29 ARG C C 29 179.339 179.339 178.080 1.259 18415 13275 1 18 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.986 0.705 18415 13276 1 18 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.289 -0.054 18415 13277 1 18 . 1 1 29 29 ARG H H 29 7.962 7.962 7.535 0.427 18415 13278 1 18 . 1 1 30 30 ASN N N 30 119.000 119.000 116.487 2.513 18415 13279 1 18 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.643 -0.196 18415 13280 1 18 . 1 1 30 30 ASN C C 30 178.153 178.153 175.805 2.348 18415 13281 1 18 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.818 2.832 18415 13282 1 18 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.618 0.818 18415 13283 1 18 . 1 1 30 30 ASN H H 30 7.960 7.960 8.024 -0.064 18415 13284 1 18 . 1 1 31 31 CYS N N 31 116.301 116.301 116.354 -0.053 18415 13285 1 18 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.981 -0.500 18415 13286 1 18 . 1 1 31 31 CYS C C 31 178.072 178.072 176.452 1.620 18415 13287 1 18 . 1 1 31 31 CYS CA C 31 56.410 56.410 58.807 -2.397 18415 13288 1 18 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.592 6.117 18415 13289 1 18 . 1 1 31 31 CYS H H 31 8.477 8.477 7.935 0.542 18415 13290 1 18 . 1 1 32 32 SER N N 32 119.834 119.834 115.516 4.318 18415 13291 1 18 . 1 1 32 32 SER HA H 32 4.700 4.700 4.065 0.635 18415 13292 1 18 . 1 1 32 32 SER C C 32 179.062 179.062 176.554 2.508 18415 13293 1 18 . 1 1 32 32 SER CA C 32 61.663 61.663 60.510 1.153 18415 13294 1 18 . 1 1 32 32 SER CB C 32 62.655 62.655 62.177 0.478 18415 13295 1 18 . 1 1 32 32 SER H H 32 9.206 9.206 9.046 0.160 18415 13296 1 18 . 1 1 33 33 GLY N N 33 111.632 111.632 109.746 1.886 18415 13297 1 18 . 1 1 33 33 GLY C C 33 174.861 174.861 174.816 0.045 18415 13298 1 18 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.222 -0.555 18415 13299 1 18 . 1 1 33 33 GLY H H 33 8.053 8.053 8.413 -0.360 18415 13300 1 18 . 1 1 34 34 MET N N 34 116.998 116.998 116.022 0.976 18415 13301 1 18 . 1 1 34 34 MET HA H 34 4.596 4.596 4.606 -0.010 18415 13302 1 18 . 1 1 34 34 MET C C 34 175.356 175.356 176.316 -0.960 18415 13303 1 18 . 1 1 34 34 MET CA C 34 54.887 54.887 53.761 1.125 18415 13304 1 18 . 1 1 34 34 MET CB C 34 33.959 33.959 32.041 1.918 18415 13305 1 18 . 1 1 34 34 MET H H 34 7.441 7.441 7.835 -0.394 18415 13306 1 18 . 1 1 35 35 GLY N N 35 106.474 106.474 107.127 -0.653 18415 13307 1 18 . 1 1 35 35 GLY C C 35 173.112 173.112 173.573 -0.461 18415 13308 1 18 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.241 0.160 18415 13309 1 18 . 1 1 35 35 GLY H H 35 7.807 7.807 7.943 -0.136 18415 13310 1 18 . 1 1 36 36 ALA N N 36 121.833 121.833 120.681 1.152 18415 13311 1 18 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.833 -0.131 18415 13312 1 18 . 1 1 36 36 ALA C C 36 174.285 174.285 175.145 -0.860 18415 13313 1 18 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.249 -0.528 18415 13314 1 18 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.888 2.774 18415 13315 1 18 . 1 1 36 36 ALA H H 36 7.693 7.693 7.257 0.436 18415 13316 1 18 . 1 1 37 37 HIS N N 37 111.683 111.683 114.127 -2.444 18415 13317 1 18 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.037 0.094 18415 13318 1 18 . 1 1 37 37 HIS C C 37 175.351 175.351 175.032 0.319 18415 13319 1 18 . 1 1 37 37 HIS CA C 37 54.573 54.573 54.766 -0.193 18415 13320 1 18 . 1 1 37 37 HIS CB C 37 34.971 34.971 33.926 1.044 18415 13321 1 18 . 1 1 37 37 HIS H H 37 8.078 8.078 8.277 -0.199 18415 13322 1 18 . 1 1 38 38 LEU N N 38 123.260 123.260 121.573 1.687 18415 13323 1 18 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.549 0.224 18415 13324 1 18 . 1 1 38 38 LEU C C 38 179.180 179.180 178.043 1.137 18415 13325 1 18 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.877 0.490 18415 13326 1 18 . 1 1 38 38 LEU CB C 38 43.656 43.656 41.956 1.700 18415 13327 1 18 . 1 1 38 38 LEU H H 38 9.964 9.964 8.433 1.531 18415 13328 1 18 . 1 1 39 39 MET N N 39 119.511 119.511 124.165 -4.654 18415 13329 1 18 . 1 1 39 39 MET HA H 39 3.855 3.855 4.421 -0.566 18415 13330 1 18 . 1 1 39 39 MET C C 39 174.874 174.874 175.161 -0.287 18415 13331 1 18 . 1 1 39 39 MET CA C 39 58.789 58.789 56.102 2.687 18415 13332 1 18 . 1 1 39 39 MET CB C 39 34.405 34.405 32.496 1.909 18415 13333 1 18 . 1 1 39 39 MET H H 39 8.409 8.409 8.987 -0.578 18415 13334 1 18 . 1 1 40 40 THR N N 40 123.771 123.771 120.393 3.378 18415 13335 1 18 . 1 1 40 40 THR HA H 40 4.013 4.013 4.913 -0.900 18415 13336 1 18 . 1 1 40 40 THR C C 40 172.936 172.936 173.827 -0.891 18415 13337 1 18 . 1 1 40 40 THR CA C 40 59.869 59.869 59.737 0.132 18415 13338 1 18 . 1 1 40 40 THR CB C 40 70.587 70.587 68.204 2.383 18415 13339 1 18 . 1 1 40 40 THR H H 40 6.822 6.822 8.527 -1.705 18415 13340 1 18 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.318 -0.069 18415 13341 1 18 . 1 1 41 41 ILE C C 41 174.349 174.349 175.468 -1.119 18415 13342 1 18 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.094 -2.337 18415 13343 1 18 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.200 1.371 18415 13344 1 18 . 1 1 42 42 SER N N 42 122.113 122.113 121.578 0.535 18415 13345 1 18 . 1 1 42 42 SER HA H 42 4.647 4.647 4.525 0.122 18415 13346 1 18 . 1 1 42 42 SER C C 42 174.502 174.502 173.996 0.506 18415 13347 1 18 . 1 1 42 42 SER CA C 42 59.768 59.768 58.865 0.903 18415 13348 1 18 . 1 1 42 42 SER CB C 42 64.720 64.720 65.314 -0.594 18415 13349 1 18 . 1 1 42 42 SER H H 42 9.230 9.230 9.436 -0.206 18415 13350 1 18 . 1 1 43 43 THR N N 43 108.516 108.516 113.190 -4.674 18415 13351 1 18 . 1 1 43 43 THR HA H 43 4.807 4.807 4.798 0.009 18415 13352 1 18 . 1 1 43 43 THR C C 43 173.812 173.812 174.675 -0.863 18415 13353 1 18 . 1 1 43 43 THR CA C 43 59.249 59.249 60.105 -0.856 18415 13354 1 18 . 1 1 43 43 THR CB C 43 73.128 73.128 72.223 0.905 18415 13355 1 18 . 1 1 43 43 THR H H 43 7.559 7.559 8.353 -0.794 18415 13356 1 18 . 1 1 44 44 GLU N N 44 123.057 123.057 124.215 -1.158 18415 13357 1 18 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.121 -0.672 18415 13358 1 18 . 1 1 44 44 GLU C C 44 178.262 178.262 178.329 -0.067 18415 13359 1 18 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.417 -1.088 18415 13360 1 18 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.392 0.050 18415 13361 1 18 . 1 1 44 44 GLU H H 44 9.377 9.377 9.171 0.206 18415 13362 1 18 . 1 1 45 45 ALA N N 45 119.910 119.910 121.480 -1.570 18415 13363 1 18 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.197 -0.147 18415 13364 1 18 . 1 1 45 45 ALA C C 45 180.096 180.096 179.376 0.720 18415 13365 1 18 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.121 0.059 18415 13366 1 18 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.178 0.089 18415 13367 1 18 . 1 1 45 45 ALA H H 45 8.328 8.328 8.384 -0.056 18415 13368 1 18 . 1 1 46 46 GLU N N 46 118.861 118.861 119.032 -0.171 18415 13369 1 18 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.662 -0.050 18415 13370 1 18 . 1 1 46 46 GLU C C 46 177.452 177.452 178.333 -0.881 18415 13371 1 18 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.697 -0.413 18415 13372 1 18 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.188 1.325 18415 13373 1 18 . 1 1 46 46 GLU H H 46 7.852 7.852 8.145 -0.293 18415 13374 1 18 . 1 1 47 47 GLN N N 47 119.473 119.473 118.551 0.922 18415 13375 1 18 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.791 -0.104 18415 13376 1 18 . 1 1 47 47 GLN C C 47 176.429 176.429 178.343 -1.914 18415 13377 1 18 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.815 1.093 18415 13378 1 18 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.386 1.590 18415 13379 1 18 . 1 1 47 47 GLN H H 47 7.054 7.054 7.630 -0.576 18415 13380 1 18 . 1 1 48 48 ASN N N 48 115.182 115.182 117.439 -2.257 18415 13381 1 18 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.239 -0.026 18415 13382 1 18 . 1 1 48 48 ASN C C 48 176.986 176.986 177.043 -0.057 18415 13383 1 18 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.917 -0.888 18415 13384 1 18 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.428 -0.870 18415 13385 1 18 . 1 1 48 48 ASN H H 48 8.416 8.416 7.805 0.611 18415 13386 1 18 . 1 1 49 49 PHE N N 49 118.413 118.413 117.881 0.532 18415 13387 1 18 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.257 -0.278 18415 13388 1 18 . 1 1 49 49 PHE C C 49 177.254 177.254 177.356 -0.102 18415 13389 1 18 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.907 -0.745 18415 13390 1 18 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.243 -1.160 18415 13391 1 18 . 1 1 49 49 PHE H H 49 7.473 7.473 7.824 -0.351 18415 13392 1 18 . 1 1 50 50 ILE N N 50 117.601 117.601 122.465 -4.864 18415 13393 1 18 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.951 -0.410 18415 13394 1 18 . 1 1 50 50 ILE C C 50 176.891 176.891 176.708 0.183 18415 13395 1 18 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.551 -2.899 18415 13396 1 18 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.952 1.257 18415 13397 1 18 . 1 1 50 50 ILE H H 50 7.020 7.020 7.883 -0.863 18415 13398 1 18 . 1 1 51 51 ILE N N 51 114.824 114.824 115.524 -0.700 18415 13399 1 18 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.895 -0.002 18415 13400 1 18 . 1 1 51 51 ILE C C 51 177.092 177.092 176.566 0.526 18415 13401 1 18 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.866 1.338 18415 13402 1 18 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.094 0.826 18415 13403 1 18 . 1 1 51 51 ILE H H 51 7.216 7.216 7.599 -0.383 18415 13404 1 18 . 1 1 52 52 GLN N N 52 116.767 116.767 117.820 -1.053 18415 13405 1 18 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.960 -0.190 18415 13406 1 18 . 1 1 52 52 GLN C C 52 176.442 176.442 176.780 -0.338 18415 13407 1 18 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.411 -0.141 18415 13408 1 18 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.951 0.069 18415 13409 1 18 . 1 1 52 52 GLN H H 52 6.416 6.416 7.136 -0.720 18415 13410 1 18 . 1 1 53 53 PHE N N 53 115.400 115.400 116.593 -1.193 18415 13411 1 18 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.419 0.158 18415 13412 1 18 . 1 1 53 53 PHE C C 53 174.993 174.993 176.022 -1.029 18415 13413 1 18 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.994 -2.099 18415 13414 1 18 . 1 1 53 53 PHE CB C 53 39.533 39.533 40.045 -0.513 18415 13415 1 18 . 1 1 53 53 PHE H H 53 7.216 7.216 7.281 -0.065 18415 13416 1 18 . 1 1 54 54 LEU N N 54 118.096 118.096 119.967 -1.871 18415 13417 1 18 . 1 1 54 54 LEU HA H 54 4.091 4.091 4.024 0.067 18415 13418 1 18 . 1 1 54 54 LEU C C 54 175.467 175.467 176.385 -0.918 18415 13419 1 18 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.221 -0.650 18415 13420 1 18 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.893 -0.186 18415 13421 1 18 . 1 1 54 54 LEU H H 54 6.668 6.668 7.359 -0.691 18415 13422 1 18 . 1 1 55 55 ASP N N 55 123.723 123.723 122.396 1.327 18415 13423 1 18 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.749 0.066 18415 13424 1 18 . 1 1 55 55 ASP C C 55 177.896 177.896 177.357 0.539 18415 13425 1 18 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.085 -0.987 18415 13426 1 18 . 1 1 55 55 ASP CB C 55 42.662 42.662 43.182 -0.520 18415 13427 1 18 . 1 1 55 55 ASP H H 55 8.687 8.687 8.377 0.310 18415 13428 1 18 . 1 1 56 56 ARG N N 56 124.370 124.370 123.321 1.049 18415 13429 1 18 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.997 0.313 18415 13430 1 18 . 1 1 56 56 ARG C C 56 178.201 178.201 176.413 1.788 18415 13431 1 18 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.578 2.380 18415 13432 1 18 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.900 1.678 18415 13433 1 18 . 1 1 56 56 ARG H H 56 8.758 8.758 8.634 0.124 18415 13434 1 18 . 1 1 57 57 ARG N N 57 120.411 120.411 116.257 4.154 18415 13435 1 18 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.375 -0.081 18415 13436 1 18 . 1 1 57 57 ARG C C 57 177.064 177.064 176.088 0.976 18415 13437 1 18 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.239 1.293 18415 13438 1 18 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.677 -0.985 18415 13439 1 18 . 1 1 57 57 ARG H H 57 9.150 9.150 8.402 0.748 18415 13440 1 18 . 1 1 58 58 LEU N N 58 119.445 119.445 121.945 -2.500 18415 13441 1 18 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.516 0.188 18415 13442 1 18 . 1 1 58 58 LEU C C 58 176.450 176.450 175.649 0.801 18415 13443 1 18 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.423 0.856 18415 13444 1 18 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.474 -0.215 18415 13445 1 18 . 1 1 58 58 LEU H H 58 8.328 8.328 7.585 0.743 18415 13446 1 18 . 1 1 59 59 SER N N 59 116.536 116.536 114.280 2.256 18415 13447 1 18 . 1 1 59 59 SER HA H 59 5.505 5.505 5.201 0.304 18415 13448 1 18 . 1 1 59 59 SER C C 59 173.263 173.263 172.998 0.265 18415 13449 1 18 . 1 1 59 59 SER CA C 59 57.199 57.199 56.965 0.234 18415 13450 1 18 . 1 1 59 59 SER CB C 59 65.064 65.064 65.208 -0.144 18415 13451 1 18 . 1 1 59 59 SER H H 59 8.470 8.470 8.501 -0.031 18415 13452 1 18 . 1 1 60 60 TYR N N 60 120.274 120.274 123.241 -2.967 18415 13453 1 18 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.991 -0.714 18415 13454 1 18 . 1 1 60 60 TYR C C 60 175.560 175.560 175.970 -0.410 18415 13455 1 18 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.658 -0.186 18415 13456 1 18 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.592 1.915 18415 13457 1 18 . 1 1 60 60 TYR H H 60 8.897 8.897 9.189 -0.292 18415 13458 1 18 . 1 1 61 61 PHE N N 61 123.635 123.635 123.164 0.471 18415 13459 1 18 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.822 0.466 18415 13460 1 18 . 1 1 61 61 PHE C C 61 175.433 175.433 175.580 -0.147 18415 13461 1 18 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.987 0.088 18415 13462 1 18 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.499 1.370 18415 13463 1 18 . 1 1 61 61 PHE H H 61 9.521 9.521 9.151 0.370 18415 13464 1 18 . 1 1 62 62 LEU N N 62 114.382 114.382 121.227 -6.845 18415 13465 1 18 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.973 0.100 18415 13466 1 18 . 1 1 62 62 LEU C C 62 179.521 179.521 177.564 1.957 18415 13467 1 18 . 1 1 62 62 LEU CA C 62 51.783 51.783 52.929 -1.146 18415 13468 1 18 . 1 1 62 62 LEU CB C 62 46.276 46.276 43.680 2.596 18415 13469 1 18 . 1 1 62 62 LEU H H 62 8.394 8.394 9.061 -0.667 18415 13470 1 18 . 1 1 63 63 GLY N N 63 106.675 106.675 109.522 -2.847 18415 13471 1 18 . 1 1 63 63 GLY C C 63 172.404 172.404 173.094 -0.690 18415 13472 1 18 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.409 2.984 18415 13473 1 18 . 1 1 63 63 GLY H H 63 9.253 9.253 9.164 0.089 18415 13474 1 18 . 1 1 64 64 LEU N N 64 124.754 124.754 122.217 2.537 18415 13475 1 18 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.838 -0.254 18415 13476 1 18 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.245 1.057 18415 13477 1 18 . 1 1 64 64 LEU CB C 64 43.272 43.272 43.309 -0.037 18415 13478 1 18 . 1 1 64 64 LEU H H 64 6.840 6.840 7.851 -1.011 18415 13479 1 18 . 1 1 65 65 ARG N N 65 124.476 124.476 124.349 0.127 18415 13480 1 18 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.044 1.116 18415 13481 1 18 . 1 1 65 65 ARG C C 65 174.245 174.245 173.893 0.352 18415 13482 1 18 . 1 1 65 65 ARG CA C 65 54.904 54.904 55.078 -0.174 18415 13483 1 18 . 1 1 65 65 ARG CB C 65 34.531 34.531 32.441 2.090 18415 13484 1 18 . 1 1 65 65 ARG H H 65 8.218 8.218 8.300 -0.082 18415 13485 1 18 . 1 1 66 66 ASP N N 66 126.754 126.754 125.413 1.341 18415 13486 1 18 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.408 0.021 18415 13487 1 18 . 1 1 66 66 ASP C C 66 176.516 176.516 173.728 2.788 18415 13488 1 18 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.304 -0.450 18415 13489 1 18 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.291 -2.523 18415 13490 1 18 . 1 1 66 66 ASP H H 66 8.756 8.756 7.785 0.971 18415 13491 1 18 . 1 1 67 67 GLU N N 67 123.390 123.390 125.062 -1.672 18415 13492 1 18 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.128 -0.352 18415 13493 1 18 . 1 1 67 67 GLU C C 67 175.648 175.648 176.235 -0.587 18415 13494 1 18 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.135 2.713 18415 13495 1 18 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.100 0.216 18415 13496 1 18 . 1 1 67 67 GLU H H 67 8.488 8.488 8.123 0.365 18415 13497 1 18 . 1 1 68 68 ASN N N 68 114.882 114.882 124.259 -9.377 18415 13498 1 18 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.218 0.446 18415 13499 1 18 . 1 1 68 68 ASN C C 68 174.482 174.482 174.023 0.459 18415 13500 1 18 . 1 1 68 68 ASN CA C 68 52.914 52.914 53.666 -0.752 18415 13501 1 18 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.205 1.207 18415 13502 1 18 . 1 1 68 68 ASN H H 68 8.336 8.336 9.035 -0.699 18415 13503 1 18 . 1 1 69 69 ALA N N 69 118.915 118.915 117.185 1.730 18415 13504 1 18 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.200 -0.326 18415 13505 1 18 . 1 1 69 69 ALA C C 69 177.082 177.082 177.111 -0.029 18415 13506 1 18 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.312 0.320 18415 13507 1 18 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.310 -0.139 18415 13508 1 18 . 1 1 69 69 ALA H H 69 7.444 7.444 7.835 -0.391 18415 13509 1 18 . 1 1 70 70 LYS N N 70 117.439 117.439 121.490 -4.051 18415 13510 1 18 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.315 0.003 18415 13511 1 18 . 1 1 70 70 LYS C C 70 177.726 177.726 177.893 -0.167 18415 13512 1 18 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.218 -0.795 18415 13513 1 18 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.238 -0.502 18415 13514 1 18 . 1 1 70 70 LYS H H 70 7.925 7.925 8.799 -0.874 18415 13515 1 18 . 1 1 71 71 GLY C C 71 175.127 175.127 174.641 0.486 18415 13516 1 18 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.795 -0.122 18415 13517 1 18 . 1 1 72 72 GLN N N 72 124.084 124.084 119.886 4.198 18415 13518 1 18 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.294 0.097 18415 13519 1 18 . 1 1 72 72 GLN C C 72 174.283 174.283 175.696 -1.413 18415 13520 1 18 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.019 0.138 18415 13521 1 18 . 1 1 72 72 GLN CB C 72 27.633 27.633 27.008 0.625 18415 13522 1 18 . 1 1 72 72 GLN H H 72 7.749 7.749 8.114 -0.365 18415 13523 1 18 . 1 1 73 73 TRP N N 73 121.803 121.803 124.049 -2.246 18415 13524 1 18 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.467 -0.562 18415 13525 1 18 . 1 1 73 73 TRP C C 73 175.776 175.776 175.858 -0.082 18415 13526 1 18 . 1 1 73 73 TRP CA C 73 56.821 56.821 58.442 -1.621 18415 13527 1 18 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.038 -0.162 18415 13528 1 18 . 1 1 73 73 TRP H H 73 6.599 6.599 7.796 -1.197 18415 13529 1 18 . 1 1 74 74 ARG N N 74 119.549 119.549 120.043 -0.494 18415 13530 1 18 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.759 -0.053 18415 13531 1 18 . 1 1 74 74 ARG C C 74 176.980 176.980 174.986 1.994 18415 13532 1 18 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.043 0.290 18415 13533 1 18 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.230 0.393 18415 13534 1 18 . 1 1 74 74 ARG H H 74 8.443 8.443 8.061 0.382 18415 13535 1 18 . 1 1 75 75 TRP N N 75 125.690 125.690 121.578 4.112 18415 13536 1 18 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.742 -0.315 18415 13537 1 18 . 1 1 75 75 TRP C C 75 180.474 180.474 178.794 1.680 18415 13538 1 18 . 1 1 75 75 TRP CA C 75 55.766 55.766 55.989 -0.223 18415 13539 1 18 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.178 0.852 18415 13540 1 18 . 1 1 75 75 TRP H H 75 9.052 9.052 8.713 0.339 18415 13541 1 18 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.842 0.436 18415 13542 1 18 . 1 1 76 76 VAL C C 76 175.431 175.431 174.991 0.440 18415 13543 1 18 . 1 1 76 76 VAL CA C 76 64.564 64.564 63.386 1.178 18415 13544 1 18 . 1 1 76 76 VAL CB C 76 32.369 32.369 29.803 2.566 18415 13545 1 18 . 1 1 77 77 ASP N N 77 119.941 119.941 118.872 1.069 18415 13546 1 18 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.927 -0.949 18415 13547 1 18 . 1 1 77 77 ASP C C 77 176.293 176.293 176.507 -0.214 18415 13548 1 18 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.736 -0.977 18415 13549 1 18 . 1 1 77 77 ASP CB C 77 40.410 40.410 42.762 -2.352 18415 13550 1 18 . 1 1 77 77 ASP H H 77 8.004 8.004 8.208 -0.204 18415 13551 1 18 . 1 1 78 78 GLN N N 78 109.962 109.962 117.892 -7.930 18415 13552 1 18 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.012 0.113 18415 13553 1 18 . 1 1 78 78 GLN C C 78 176.387 176.387 174.918 1.469 18415 13554 1 18 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.536 -0.744 18415 13555 1 18 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.793 -1.692 18415 13556 1 18 . 1 1 78 78 GLN H H 78 8.124 8.124 8.270 -0.146 18415 13557 1 18 . 1 1 79 79 THR N N 79 121.656 121.656 120.412 1.244 18415 13558 1 18 . 1 1 79 79 THR HA H 79 4.250 4.250 4.285 -0.035 18415 13559 1 18 . 1 1 79 79 THR C C 79 172.901 172.901 172.977 -0.076 18415 13560 1 18 . 1 1 79 79 THR CA C 79 63.165 63.165 64.001 -0.836 18415 13561 1 18 . 1 1 79 79 THR CB C 79 69.427 69.427 68.113 1.314 18415 13562 1 18 . 1 1 79 79 THR H H 79 8.172 8.172 7.737 0.435 18415 13563 1 18 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.667 -0.145 18415 13564 1 18 . 1 1 80 80 PRO C C 80 176.940 176.940 176.230 0.710 18415 13565 1 18 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.903 0.785 18415 13566 1 18 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.439 -0.252 18415 13567 1 18 . 1 1 81 81 PHE N N 81 125.403 125.403 123.598 1.805 18415 13568 1 18 . 1 1 81 81 PHE HA H 81 4.909 4.909 5.064 -0.155 18415 13569 1 18 . 1 1 81 81 PHE C C 81 174.853 174.853 175.435 -0.582 18415 13570 1 18 . 1 1 81 81 PHE CA C 81 58.353 58.353 58.861 -0.508 18415 13571 1 18 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.064 -0.045 18415 13572 1 18 . 1 1 81 81 PHE H H 81 9.015 9.015 8.897 0.118 18415 13573 1 18 . 1 1 82 82 ASN N N 82 129.264 129.264 126.888 2.376 18415 13574 1 18 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.889 0.166 18415 13575 1 18 . 1 1 82 82 ASN C C 82 173.643 173.643 173.692 -0.049 18415 13576 1 18 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.767 -2.964 18415 13577 1 18 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.896 0.599 18415 13578 1 18 . 1 1 82 82 ASN H H 82 8.985 8.985 8.532 0.453 18415 13579 1 18 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.464 -0.461 18415 13580 1 18 . 1 1 83 83 PRO C C 83 177.123 177.123 177.094 0.029 18415 13581 1 18 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.657 -0.872 18415 13582 1 18 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.046 0.468 18415 13583 1 18 . 1 1 84 84 ARG N N 84 114.801 114.801 117.562 -2.761 18415 13584 1 18 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.227 0.096 18415 13585 1 18 . 1 1 84 84 ARG C C 84 176.890 176.890 176.820 0.070 18415 13586 1 18 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.599 -0.596 18415 13587 1 18 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.751 -0.593 18415 13588 1 18 . 1 1 84 84 ARG H H 84 7.697 7.697 8.070 -0.373 18415 13589 1 18 . 1 1 85 85 ARG N N 85 123.958 123.958 120.744 3.214 18415 13590 1 18 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.005 0.300 18415 13591 1 18 . 1 1 85 85 ARG C C 85 173.017 173.017 173.684 -0.667 18415 13592 1 18 . 1 1 85 85 ARG CA C 85 53.809 53.809 55.076 -1.267 18415 13593 1 18 . 1 1 85 85 ARG CB C 85 30.040 30.040 29.460 0.580 18415 13594 1 18 . 1 1 85 85 ARG H H 85 7.596 7.596 7.664 -0.068 18415 13595 1 18 . 1 1 86 86 VAL N N 86 110.039 110.039 118.996 -8.957 18415 13596 1 18 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.122 0.677 18415 13597 1 18 . 1 1 86 86 VAL CA C 86 58.266 58.266 59.859 -1.593 18415 13598 1 18 . 1 1 86 86 VAL CB C 86 34.226 34.226 34.098 0.128 18415 13599 1 18 . 1 1 86 86 VAL H H 86 6.570 6.570 6.839 -0.269 18415 13600 1 18 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.441 -0.119 18415 13601 1 18 . 1 1 87 87 PHE C C 87 173.471 173.471 174.484 -1.013 18415 13602 1 18 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.178 0.199 18415 13603 1 18 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.270 -0.886 18415 13604 1 18 . 1 1 88 88 TRP N N 88 118.538 118.538 120.391 -1.853 18415 13605 1 18 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.609 0.193 18415 13606 1 18 . 1 1 88 88 TRP C C 88 179.297 179.297 176.762 2.535 18415 13607 1 18 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.513 -0.276 18415 13608 1 18 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.152 1.397 18415 13609 1 18 . 1 1 88 88 TRP H H 88 6.633 6.633 7.779 -1.146 18415 13610 1 18 . 1 1 89 89 HIS N N 89 122.693 122.693 120.445 2.248 18415 13611 1 18 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.675 -0.304 18415 13612 1 18 . 1 1 89 89 HIS C C 89 175.621 175.621 175.546 0.075 18415 13613 1 18 . 1 1 89 89 HIS CA C 89 58.121 58.121 56.399 1.722 18415 13614 1 18 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.266 2.446 18415 13615 1 18 . 1 1 89 89 HIS H H 89 9.473 9.473 9.357 0.116 18415 13616 1 18 . 1 1 90 90 LYS N N 90 120.826 120.826 124.715 -3.889 18415 13617 1 18 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.095 0.016 18415 13618 1 18 . 1 1 90 90 LYS C C 90 177.228 177.228 176.910 0.318 18415 13619 1 18 . 1 1 90 90 LYS CA C 90 58.242 58.242 56.459 1.783 18415 13620 1 18 . 1 1 90 90 LYS CB C 90 32.482 32.482 31.749 0.733 18415 13621 1 18 . 1 1 90 90 LYS H H 90 8.741 8.741 8.698 0.043 18415 13622 1 18 . 1 1 91 91 ASN N N 91 117.166 117.166 121.686 -4.520 18415 13623 1 18 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.372 -0.056 18415 13624 1 18 . 1 1 91 91 ASN C C 91 173.391 173.391 174.060 -0.669 18415 13625 1 18 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.869 1.466 18415 13626 1 18 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.499 -1.114 18415 13627 1 18 . 1 1 91 91 ASN H H 91 8.906 8.906 8.638 0.268 18415 13628 1 18 . 1 1 92 92 GLU N N 92 116.991 116.991 122.666 -5.675 18415 13629 1 18 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.781 -0.494 18415 13630 1 18 . 1 1 92 92 GLU C C 92 173.188 173.188 175.167 -1.979 18415 13631 1 18 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.420 -0.149 18415 13632 1 18 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.541 -0.087 18415 13633 1 18 . 1 1 92 92 GLU H H 92 7.738 7.738 8.524 -0.786 18415 13634 1 18 . 1 1 95 95 ASN HA H 95 4.644 4.644 5.094 -0.450 18415 13635 1 18 . 1 1 95 95 ASN C C 95 175.699 175.699 173.745 1.954 18415 13636 1 18 . 1 1 95 95 ASN CA C 95 53.459 53.459 52.838 0.621 18415 13637 1 18 . 1 1 95 95 ASN CB C 95 38.725 38.725 42.351 -3.626 18415 13638 1 18 . 1 1 96 96 SER N N 96 116.489 116.489 118.191 -1.702 18415 13639 1 18 . 1 1 96 96 SER HA H 96 4.405 4.405 4.710 -0.305 18415 13640 1 18 . 1 1 96 96 SER C C 96 174.831 174.831 173.295 1.536 18415 13641 1 18 . 1 1 96 96 SER CA C 96 58.753 58.753 57.426 1.327 18415 13642 1 18 . 1 1 96 96 SER CB C 96 64.216 64.216 65.835 -1.619 18415 13643 1 18 . 1 1 96 96 SER H H 96 8.118 8.118 9.063 -0.945 18415 13644 1 18 . 1 1 97 97 GLN N N 97 121.023 121.023 120.342 0.681 18415 13645 1 18 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.551 -0.299 18415 13646 1 18 . 1 1 97 97 GLN C C 97 176.063 176.063 175.564 0.499 18415 13647 1 18 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.287 0.670 18415 13648 1 18 . 1 1 97 97 GLN CB C 97 29.528 29.528 31.397 -1.869 18415 13649 1 18 . 1 1 97 97 GLN H H 97 8.371 8.371 8.385 -0.014 18415 13650 1 18 . 1 1 98 98 GLY N N 98 110.498 110.498 113.429 -2.931 18415 13651 1 18 . 1 1 98 98 GLY C C 98 172.460 172.460 173.197 -0.737 18415 13652 1 18 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.514 -0.578 18415 13653 1 18 . 1 1 98 98 GLY H H 98 8.080 8.080 9.251 -1.171 18415 13654 1 18 . 1 1 99 99 GLU N N 99 119.919 119.919 125.338 -5.419 18415 13655 1 18 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.373 -0.102 18415 13656 1 18 . 1 1 99 99 GLU C C 99 176.605 176.605 175.011 1.594 18415 13657 1 18 . 1 1 99 99 GLU CA C 99 56.508 56.508 54.843 1.665 18415 13658 1 18 . 1 1 99 99 GLU CB C 99 29.469 29.469 28.403 1.066 18415 13659 1 18 . 1 1 99 99 GLU H H 99 8.004 8.004 8.577 -0.573 18415 13660 1 18 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.416 -0.136 18415 13661 1 18 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.859 1.522 18415 13662 1 18 . 1 1 100 100 ASN CB C 100 41.917 41.917 40.360 1.557 18415 13663 1 18 . 1 1 101 101 CYS N N 101 121.118 121.118 117.066 4.052 18415 13664 1 18 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.866 0.624 18415 13665 1 18 . 1 1 101 101 CYS CA C 101 59.338 59.338 56.972 2.366 18415 13666 1 18 . 1 1 101 101 CYS CB C 101 43.778 43.778 31.122 12.656 18415 13667 1 18 . 1 1 101 101 CYS H H 101 9.707 9.707 9.128 0.579 18415 13668 1 18 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.087 0.099 18415 13669 1 18 . 1 1 102 102 VAL C C 102 175.530 175.530 175.939 -0.409 18415 13670 1 18 . 1 1 102 102 VAL CA C 102 63.033 63.033 61.678 1.355 18415 13671 1 18 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.637 2.517 18415 13672 1 18 . 1 1 103 103 VAL N N 103 115.890 115.890 122.030 -6.140 18415 13673 1 18 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.047 0.301 18415 13674 1 18 . 1 1 103 103 VAL C C 103 175.136 175.136 174.175 0.961 18415 13675 1 18 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.752 -1.016 18415 13676 1 18 . 1 1 103 103 VAL CB C 103 35.134 35.134 34.766 0.368 18415 13677 1 18 . 1 1 103 103 VAL H H 103 8.698 8.698 9.078 -0.380 18415 13678 1 18 . 1 1 104 104 LEU N N 104 124.477 124.477 127.640 -3.163 18415 13679 1 18 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.041 -0.065 18415 13680 1 18 . 1 1 104 104 LEU C C 104 176.248 176.248 175.473 0.775 18415 13681 1 18 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.625 0.368 18415 13682 1 18 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.181 2.661 18415 13683 1 18 . 1 1 104 104 LEU H H 104 9.453 9.453 9.207 0.246 18415 13684 1 18 . 1 1 105 105 VAL N N 105 123.109 123.109 128.100 -4.991 18415 13685 1 18 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.752 0.263 18415 13686 1 18 . 1 1 105 105 VAL C C 105 173.635 173.635 173.363 0.272 18415 13687 1 18 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.641 1.592 18415 13688 1 18 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.338 0.296 18415 13689 1 18 . 1 1 105 105 VAL H H 105 9.477 9.477 9.268 0.209 18415 13690 1 18 . 1 1 106 106 TYR N N 106 136.491 136.491 129.521 6.970 18415 13691 1 18 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.363 0.102 18415 13692 1 18 . 1 1 106 106 TYR C C 106 175.009 175.009 173.724 1.285 18415 13693 1 18 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.372 -0.323 18415 13694 1 18 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.364 0.587 18415 13695 1 18 . 1 1 106 106 TYR H H 106 9.509 9.509 8.315 1.194 18415 13696 1 18 . 1 1 107 107 ASN N N 107 124.433 124.433 124.516 -0.083 18415 13697 1 18 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.822 -0.272 18415 13698 1 18 . 1 1 107 107 ASN C C 107 173.919 173.919 174.767 -0.848 18415 13699 1 18 . 1 1 107 107 ASN CA C 107 52.609 52.609 51.925 0.684 18415 13700 1 18 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.079 -0.069 18415 13701 1 18 . 1 1 107 107 ASN H H 107 8.329 8.329 8.318 0.011 18415 13702 1 18 . 1 1 108 108 GLN N N 108 119.681 119.681 123.488 -3.807 18415 13703 1 18 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.940 -0.286 18415 13704 1 18 . 1 1 108 108 GLN C C 108 175.060 175.060 174.368 0.692 18415 13705 1 18 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.583 1.023 18415 13706 1 18 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.871 -0.607 18415 13707 1 18 . 1 1 108 108 GLN H H 108 8.558 8.558 8.794 -0.236 18415 13708 1 18 . 1 1 109 109 ASP N N 109 109.712 109.712 112.907 -3.195 18415 13709 1 18 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.524 0.453 18415 13710 1 18 . 1 1 109 109 ASP C C 109 174.354 174.354 174.803 -0.449 18415 13711 1 18 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.146 0.053 18415 13712 1 18 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.435 -0.409 18415 13713 1 18 . 1 1 109 109 ASP H H 109 8.199 8.199 8.281 -0.082 18415 13714 1 18 . 1 1 110 110 LYS N N 110 115.590 115.590 115.882 -0.292 18415 13715 1 18 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.580 -0.028 18415 13716 1 18 . 1 1 110 110 LYS C C 110 174.674 174.674 175.051 -0.377 18415 13717 1 18 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.461 1.008 18415 13718 1 18 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.797 0.792 18415 13719 1 18 . 1 1 110 110 LYS H H 110 7.081 7.081 6.917 0.164 18415 13720 1 18 . 1 1 111 111 TRP N N 111 122.248 122.248 124.958 -2.710 18415 13721 1 18 . 1 1 111 111 TRP HA H 111 5.073 5.073 4.995 0.078 18415 13722 1 18 . 1 1 111 111 TRP C C 111 175.920 175.920 176.707 -0.787 18415 13723 1 18 . 1 1 111 111 TRP CA C 111 57.189 57.189 58.611 -1.422 18415 13724 1 18 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.978 0.891 18415 13725 1 18 . 1 1 111 111 TRP H H 111 8.650 8.650 8.728 -0.078 18415 13726 1 18 . 1 1 112 112 ALA N N 112 124.184 124.184 124.414 -0.230 18415 13727 1 18 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.797 -0.629 18415 13728 1 18 . 1 1 112 112 ALA C C 112 174.995 174.995 175.229 -0.234 18415 13729 1 18 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.365 0.950 18415 13730 1 18 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.335 -5.453 18415 13731 1 18 . 1 1 112 112 ALA H H 112 8.790 8.790 9.286 -0.496 18415 13732 1 18 . 1 1 113 113 TRP N N 113 118.725 118.725 119.909 -1.184 18415 13733 1 18 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.069 1.087 18415 13734 1 18 . 1 1 113 113 TRP C C 113 177.471 177.471 176.063 1.408 18415 13735 1 18 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.878 -0.263 18415 13736 1 18 . 1 1 113 113 TRP CB C 113 32.374 32.374 30.017 2.357 18415 13737 1 18 . 1 1 113 113 TRP H H 113 8.969 8.969 8.810 0.159 18415 13738 1 18 . 1 1 114 114 ASN N N 114 120.479 120.479 119.965 0.514 18415 13739 1 18 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.284 0.206 18415 13740 1 18 . 1 1 114 114 ASN C C 114 174.708 174.708 173.619 1.089 18415 13741 1 18 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.639 -0.881 18415 13742 1 18 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.907 0.112 18415 13743 1 18 . 1 1 114 114 ASN H H 114 9.518 9.518 8.931 0.588 18415 13744 1 18 . 1 1 115 115 ASP N N 115 118.209 118.209 128.079 -9.870 18415 13745 1 18 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.536 0.335 18415 13746 1 18 . 1 1 115 115 ASP C C 115 174.291 174.291 175.637 -1.346 18415 13747 1 18 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.486 -2.299 18415 13748 1 18 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.927 -1.423 18415 13749 1 18 . 1 1 115 115 ASP H H 115 8.563 8.563 8.593 -0.030 18415 13750 1 18 . 1 1 116 116 VAL N N 116 118.669 118.669 119.840 -1.171 18415 13751 1 18 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.955 -0.060 18415 13752 1 18 . 1 1 116 116 VAL C C 116 172.334 172.334 173.347 -1.013 18415 13753 1 18 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.980 0.301 18415 13754 1 18 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.285 0.048 18415 13755 1 18 . 1 1 116 116 VAL H H 116 9.369 9.369 9.332 0.037 18415 13756 1 18 . 1 1 117 117 PRO HA H 117 4.934 4.934 5.034 -0.100 18415 13757 1 18 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.678 0.398 18415 13758 1 18 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.499 0.860 18415 13759 1 18 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.506 -0.056 18415 13760 1 18 . 1 1 118 118 CYS C C 118 175.583 175.583 176.480 -0.897 18415 13761 1 18 . 1 1 118 118 CYS CA C 118 58.904 58.904 61.277 -2.373 18415 13762 1 18 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.120 17.721 18415 13763 1 18 . 1 1 119 119 ASN N N 119 117.251 117.251 117.065 0.186 18415 13764 1 18 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.706 0.207 18415 13765 1 18 . 1 1 119 119 ASN C C 119 174.849 174.849 174.364 0.485 18415 13766 1 18 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.405 -0.263 18415 13767 1 18 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.862 -1.786 18415 13768 1 18 . 1 1 119 119 ASN H H 119 8.411 8.411 8.506 -0.095 18415 13769 1 18 . 1 1 120 120 PHE N N 120 123.415 123.415 121.761 1.654 18415 13770 1 18 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.682 -0.136 18415 13771 1 18 . 1 1 120 120 PHE C C 120 173.156 173.156 174.451 -1.295 18415 13772 1 18 . 1 1 120 120 PHE CA C 120 58.360 58.360 56.894 1.466 18415 13773 1 18 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.213 -0.764 18415 13774 1 18 . 1 1 120 120 PHE H H 120 8.097 8.097 8.028 0.069 18415 13775 1 18 . 1 1 121 121 GLU N N 121 119.143 119.143 125.286 -6.143 18415 13776 1 18 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.796 -0.243 18415 13777 1 18 . 1 1 121 121 GLU C C 121 174.732 174.732 174.585 0.147 18415 13778 1 18 . 1 1 121 121 GLU CA C 121 54.588 54.588 54.803 -0.215 18415 13779 1 18 . 1 1 121 121 GLU CB C 121 30.420 30.420 30.585 -0.165 18415 13780 1 18 . 1 1 121 121 GLU H H 121 7.012 7.012 8.084 -1.072 18415 13781 1 18 . 1 1 122 122 ALA N N 122 125.793 125.793 125.713 0.080 18415 13782 1 18 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.496 -0.025 18415 13783 1 18 . 1 1 122 122 ALA C C 122 177.616 177.616 175.458 2.158 18415 13784 1 18 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.900 0.343 18415 13785 1 18 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.853 -1.251 18415 13786 1 18 . 1 1 122 122 ALA H H 122 8.441 8.441 8.992 -0.551 18415 13787 1 18 . 1 1 123 123 SER N N 123 115.420 115.420 114.575 0.845 18415 13788 1 18 . 1 1 123 123 SER HA H 123 4.522 4.522 4.981 -0.459 18415 13789 1 18 . 1 1 123 123 SER C C 123 172.514 172.514 174.744 -2.230 18415 13790 1 18 . 1 1 123 123 SER CA C 123 60.661 60.661 57.737 2.924 18415 13791 1 18 . 1 1 123 123 SER CB C 123 62.943 62.943 63.727 -0.784 18415 13792 1 18 . 1 1 123 123 SER H H 123 7.716 7.716 8.071 -0.355 18415 13793 1 18 . 1 1 124 124 ARG N N 124 112.529 112.529 119.949 -7.420 18415 13794 1 18 . 1 1 124 124 ARG HA H 124 5.490 5.490 4.941 0.549 18415 13795 1 18 . 1 1 124 124 ARG C C 124 173.779 173.779 174.696 -0.917 18415 13796 1 18 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.405 0.534 18415 13797 1 18 . 1 1 124 124 ARG CB C 124 31.925 31.925 34.151 -2.226 18415 13798 1 18 . 1 1 124 124 ARG H H 124 8.840 8.840 8.794 0.046 18415 13799 1 18 . 1 1 125 125 ILE N N 125 116.525 116.525 121.955 -5.430 18415 13800 1 18 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.866 -0.148 18415 13801 1 18 . 1 1 125 125 ILE C C 125 175.656 175.656 174.512 1.144 18415 13802 1 18 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.929 0.906 18415 13803 1 18 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.890 0.668 18415 13804 1 18 . 1 1 125 125 ILE H H 125 6.989 6.989 8.403 -1.414 18415 13805 1 18 . 1 1 126 126 CYS N N 126 123.910 123.910 128.498 -4.588 18415 13806 1 18 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.300 0.270 18415 13807 1 18 . 1 1 126 126 CYS C C 126 173.662 173.662 173.231 0.431 18415 13808 1 18 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.895 -5.054 18415 13809 1 18 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.489 9.652 18415 13810 1 18 . 1 1 126 126 CYS H H 126 8.288 8.288 9.121 -0.833 18415 13811 1 18 . 1 1 127 127 LYS N N 127 124.170 124.170 128.877 -4.707 18415 13812 1 18 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.454 0.165 18415 13813 1 18 . 1 1 127 127 LYS C C 127 174.637 174.637 174.900 -0.263 18415 13814 1 18 . 1 1 127 127 LYS CA C 127 55.235 55.235 55.024 0.211 18415 13815 1 18 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.898 2.620 18415 13816 1 18 . 1 1 127 127 LYS H H 127 9.681 9.681 9.435 0.246 18415 13817 1 18 . 1 1 128 128 ILE N N 128 129.226 129.226 127.077 2.149 18415 13818 1 18 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.579 0.321 18415 13819 1 18 . 1 1 128 128 ILE C C 128 172.463 172.463 173.031 -0.568 18415 13820 1 18 . 1 1 128 128 ILE CA C 128 58.384 58.384 56.831 1.553 18415 13821 1 18 . 1 1 128 128 ILE CB C 128 43.888 43.888 40.347 3.541 18415 13822 1 18 . 1 1 128 128 ILE H H 128 9.205 9.205 9.247 -0.042 18415 13823 1 18 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.529 0.462 18415 13824 1 18 . 1 1 129 129 PRO C C 129 177.954 177.954 177.537 0.417 18415 13825 1 18 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.233 0.391 18415 13826 1 18 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.444 0.057 18415 13827 1 18 . 1 1 130 130 GLY N N 130 110.745 110.745 108.835 1.910 18415 13828 1 18 . 1 1 130 130 GLY C C 130 175.022 175.022 174.390 0.632 18415 13829 1 18 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.090 1.166 18415 13830 1 18 . 1 1 130 130 GLY H H 130 8.673 8.673 8.337 0.336 18415 13831 1 18 . 1 1 131 131 THR N N 131 112.246 112.246 115.573 -3.327 18415 13832 1 18 . 1 1 131 131 THR HA H 131 4.427 4.427 4.774 -0.347 18415 13833 1 18 . 1 1 131 131 THR C C 131 175.259 175.259 175.464 -0.205 18415 13834 1 18 . 1 1 131 131 THR CA C 131 61.500 61.500 60.062 1.438 18415 13835 1 18 . 1 1 131 131 THR CB C 131 69.998 69.998 69.096 0.902 18415 13836 1 18 . 1 1 131 131 THR H H 131 7.870 7.870 7.975 -0.105 18415 13837 1 18 . 1 1 132 132 THR N N 132 116.455 116.455 118.635 -2.180 18415 13838 1 18 . 1 1 132 132 THR HA H 132 4.281 4.281 3.921 0.360 18415 13839 1 18 . 1 1 132 132 THR C C 132 174.867 174.867 174.671 0.196 18415 13840 1 18 . 1 1 132 132 THR CA C 132 62.453 62.453 66.256 -3.803 18415 13841 1 18 . 1 1 132 132 THR CB C 132 69.868 69.868 68.640 1.228 18415 13842 1 18 . 1 1 132 132 THR H H 132 8.120 8.120 7.743 0.377 18415 13843 1 18 . 1 1 133 133 LEU N N 133 124.001 124.001 117.735 6.266 18415 13844 1 18 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.041 0.221 18415 13845 1 18 . 1 1 133 133 LEU C C 133 177.365 177.365 177.610 -0.245 18415 13846 1 18 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.789 -1.042 18415 13847 1 18 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.659 0.663 18415 13848 1 18 . 1 1 133 133 LEU H H 133 8.117 8.117 7.994 0.123 18415 13849 1 18 . 1 1 134 134 ASN N N 134 119.222 119.222 117.010 2.212 18415 13850 1 18 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.660 -0.039 18415 13851 1 18 . 1 1 134 134 ASN C C 134 175.725 175.725 176.103 -0.378 18415 13852 1 18 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.160 -1.535 18415 13853 1 18 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.036 -0.201 18415 13854 1 18 . 1 1 134 134 ASN H H 134 8.325 8.325 7.682 0.643 18415 13855 1 18 . 1 1 135 135 ALA N N 135 123.649 123.649 123.675 -0.026 18415 13856 1 18 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.600 -0.471 18415 13857 1 18 . 1 1 135 135 ALA C C 135 179.061 179.061 176.970 2.091 18415 13858 1 18 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.222 2.710 18415 13859 1 18 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.028 1.911 18415 13860 1 18 . 1 1 135 135 ALA H H 135 8.205 8.205 8.338 -0.133 18415 13861 1 18 . 1 1 136 136 GLU N N 136 119.187 119.187 121.472 -2.285 18415 13862 1 18 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.066 0.139 18415 13863 1 18 . 1 1 136 136 GLU C C 136 177.504 177.504 178.326 -0.822 18415 13864 1 18 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.150 -1.271 18415 13865 1 18 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.068 0.578 18415 13866 1 18 . 1 1 136 136 GLU H H 136 8.349 8.349 8.129 0.220 18415 13867 1 18 . 1 1 137 137 ASN N N 137 118.988 118.988 117.753 1.235 18415 13868 1 18 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.599 0.038 18415 13869 1 18 . 1 1 137 137 ASN C C 137 176.785 176.785 177.310 -0.525 18415 13870 1 18 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.299 -0.825 18415 13871 1 18 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.028 0.681 18415 13872 1 18 . 1 1 137 137 ASN H H 137 8.259 8.259 8.309 -0.050 18415 13873 1 18 . 1 1 138 138 LEU N N 138 121.438 121.438 122.077 -0.639 18415 13874 1 18 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.003 0.132 18415 13875 1 18 . 1 1 138 138 LEU C C 138 178.872 178.872 178.319 0.553 18415 13876 1 18 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.403 -0.476 18415 13877 1 18 . 1 1 138 138 LEU CB C 138 42.001 42.001 42.043 -0.042 18415 13878 1 18 . 1 1 138 138 LEU H H 138 8.084 8.084 7.809 0.274 18415 13879 1 18 . 1 1 139 139 TYR N N 139 120.558 120.558 118.512 2.046 18415 13880 1 18 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.146 0.140 18415 13881 1 18 . 1 1 139 139 TYR C C 139 177.587 177.587 177.498 0.089 18415 13882 1 18 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.107 -0.962 18415 13883 1 18 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.526 -0.160 18415 13884 1 18 . 1 1 139 139 TYR H H 139 8.130 8.130 8.125 0.005 18415 13885 1 18 . 1 1 140 140 PHE N N 140 120.508 120.508 119.438 1.070 18415 13886 1 18 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.303 0.052 18415 13887 1 18 . 1 1 140 140 PHE C C 140 177.425 177.425 176.490 0.935 18415 13888 1 18 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.326 -0.696 18415 13889 1 18 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.603 -0.351 18415 13890 1 18 . 1 1 140 140 PHE H H 140 8.275 8.275 7.911 0.364 18415 13891 1 18 . 1 1 141 141 GLN N N 141 119.274 119.274 117.419 1.855 18415 13892 1 18 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.137 -0.024 18415 13893 1 18 . 1 1 141 141 GLN C C 141 176.976 176.976 175.960 1.016 18415 13894 1 18 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.242 1.121 18415 13895 1 18 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.390 -0.362 18415 13896 1 18 . 1 1 141 141 GLN H H 141 8.250 8.250 7.955 0.295 18415 13897 1 19 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.189 -0.402 18415 13898 1 19 . 1 1 2 2 VAL C C 2 172.250 172.250 174.938 -2.688 18415 13899 1 19 . 1 1 2 2 VAL CA C 2 61.294 61.294 62.761 -1.467 18415 13900 1 19 . 1 1 2 2 VAL CB C 2 33.708 33.708 30.584 3.124 18415 13901 1 19 . 1 1 3 3 CYS N N 3 121.988 121.988 126.040 -4.052 18415 13902 1 19 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.637 0.568 18415 13903 1 19 . 1 1 3 3 CYS C C 3 171.993 171.993 172.320 -0.327 18415 13904 1 19 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.702 -4.658 18415 13905 1 19 . 1 1 3 3 CYS CB C 3 39.461 39.461 30.785 8.676 18415 13906 1 19 . 1 1 3 3 CYS H H 3 8.628 8.628 8.254 0.374 18415 13907 1 19 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.794 0.029 18415 13908 1 19 . 1 1 5 5 ILE C C 5 176.622 176.622 175.601 1.021 18415 13909 1 19 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.061 1.239 18415 13910 1 19 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.606 -0.562 18415 13911 1 19 . 1 1 6 6 ASP N N 6 117.894 117.894 122.727 -4.833 18415 13912 1 19 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.676 -0.332 18415 13913 1 19 . 1 1 6 6 ASP H H 6 8.606 8.606 8.531 0.075 18415 13914 1 19 . 1 1 7 7 TRP N N 7 120.564 120.564 122.365 -1.801 18415 13915 1 19 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.632 0.058 18415 13916 1 19 . 1 1 7 7 TRP C C 7 176.415 176.415 176.768 -0.353 18415 13917 1 19 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.053 0.985 18415 13918 1 19 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.671 -0.900 18415 13919 1 19 . 1 1 7 7 TRP H H 7 8.208 8.208 8.294 -0.086 18415 13920 1 19 . 1 1 8 8 ARG N N 8 119.872 119.872 122.615 -2.743 18415 13921 1 19 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.319 0.367 18415 13922 1 19 . 1 1 8 8 ARG C C 8 176.146 176.146 175.700 0.446 18415 13923 1 19 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.813 -0.872 18415 13924 1 19 . 1 1 8 8 ARG CB C 8 31.563 31.563 29.529 2.034 18415 13925 1 19 . 1 1 8 8 ARG H H 8 9.456 9.456 8.405 1.051 18415 13926 1 19 . 1 1 9 9 ALA N N 9 127.265 127.265 131.072 -3.807 18415 13927 1 19 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.256 0.135 18415 13928 1 19 . 1 1 9 9 ALA C C 9 176.927 176.927 176.376 0.551 18415 13929 1 19 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.060 0.950 18415 13930 1 19 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.850 2.813 18415 13931 1 19 . 1 1 9 9 ALA H H 9 8.819 8.819 8.033 0.786 18415 13932 1 19 . 1 1 10 10 PHE N N 10 120.450 120.450 126.858 -6.408 18415 13933 1 19 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.751 -0.557 18415 13934 1 19 . 1 1 10 10 PHE C C 10 174.606 174.606 175.081 -0.475 18415 13935 1 19 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.179 1.347 18415 13936 1 19 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.467 -0.606 18415 13937 1 19 . 1 1 10 10 PHE H H 10 8.202 8.202 9.208 -1.006 18415 13938 1 19 . 1 1 11 11 GLN N N 11 126.391 126.391 125.533 0.858 18415 13939 1 19 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.606 -0.145 18415 13940 1 19 . 1 1 11 11 GLN C C 11 175.859 175.859 175.779 0.080 18415 13941 1 19 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.856 -0.604 18415 13942 1 19 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.337 -1.375 18415 13943 1 19 . 1 1 11 11 GLN H H 11 8.872 8.872 8.740 0.132 18415 13944 1 19 . 1 1 12 12 SER N N 12 113.087 113.087 114.713 -1.626 18415 13945 1 19 . 1 1 12 12 SER HA H 12 4.252 4.252 4.529 -0.277 18415 13946 1 19 . 1 1 12 12 SER C C 12 173.339 173.339 172.265 1.074 18415 13947 1 19 . 1 1 12 12 SER CA C 12 59.795 59.795 58.231 1.564 18415 13948 1 19 . 1 1 12 12 SER CB C 12 62.943 62.943 64.279 -1.336 18415 13949 1 19 . 1 1 12 12 SER H H 12 8.189 8.189 8.196 -0.007 18415 13950 1 19 . 1 1 13 13 ASN N N 13 118.336 118.336 118.944 -0.608 18415 13951 1 19 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.144 0.112 18415 13952 1 19 . 1 1 13 13 ASN C C 13 174.330 174.330 173.360 0.970 18415 13953 1 19 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.524 -0.182 18415 13954 1 19 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.515 0.943 18415 13955 1 19 . 1 1 13 13 ASN H H 13 8.242 8.242 7.770 0.472 18415 13956 1 19 . 1 1 14 14 CYS N N 14 118.315 118.315 119.030 -0.715 18415 13957 1 19 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.154 0.707 18415 13958 1 19 . 1 1 14 14 CYS C C 14 174.314 174.314 174.065 0.249 18415 13959 1 19 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.445 -4.760 18415 13960 1 19 . 1 1 14 14 CYS CB C 14 44.019 44.019 27.758 16.262 18415 13961 1 19 . 1 1 14 14 CYS H H 14 8.592 8.592 9.018 -0.426 18415 13962 1 19 . 1 1 15 15 TYR N N 15 121.588 121.588 121.695 -0.107 18415 13963 1 19 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.513 0.264 18415 13964 1 19 . 1 1 15 15 TYR C C 15 176.333 176.333 174.238 2.095 18415 13965 1 19 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.859 1.757 18415 13966 1 19 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.718 2.865 18415 13967 1 19 . 1 1 15 15 TYR H H 15 9.947 9.947 9.320 0.627 18415 13968 1 19 . 1 1 16 16 PHE N N 16 121.989 121.989 122.053 -0.064 18415 13969 1 19 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.675 0.236 18415 13970 1 19 . 1 1 16 16 PHE C C 16 172.937 172.937 172.799 0.138 18415 13971 1 19 . 1 1 16 16 PHE CA C 16 53.398 53.398 54.285 -0.887 18415 13972 1 19 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.050 -1.980 18415 13973 1 19 . 1 1 16 16 PHE H H 16 8.717 8.717 9.203 -0.486 18415 13974 1 19 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.619 0.497 18415 13975 1 19 . 1 1 17 17 PRO C C 17 175.445 175.445 175.255 0.190 18415 13976 1 19 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.976 -0.488 18415 13977 1 19 . 1 1 17 17 PRO CB C 17 31.991 31.991 31.548 0.443 18415 13978 1 19 . 1 1 18 18 LEU N N 18 126.062 126.062 122.188 3.874 18415 13979 1 19 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.895 -0.214 18415 13980 1 19 . 1 1 18 18 LEU C C 18 177.391 177.391 176.843 0.548 18415 13981 1 19 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.426 1.934 18415 13982 1 19 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.726 0.756 18415 13983 1 19 . 1 1 18 18 LEU H H 18 9.054 9.054 8.559 0.495 18415 13984 1 19 . 1 1 19 19 THR N N 19 109.256 109.256 111.148 -1.892 18415 13985 1 19 . 1 1 19 19 THR HA H 19 4.612 4.612 4.333 0.279 18415 13986 1 19 . 1 1 19 19 THR C C 19 175.613 175.613 174.689 0.924 18415 13987 1 19 . 1 1 19 19 THR CA C 19 62.236 62.236 61.666 0.570 18415 13988 1 19 . 1 1 19 19 THR CB C 19 69.530 69.530 68.843 0.687 18415 13989 1 19 . 1 1 19 19 THR H H 19 8.303 8.303 8.543 -0.240 18415 13990 1 19 . 1 1 20 20 ASP N N 20 121.645 121.645 122.089 -0.444 18415 13991 1 19 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.599 -0.142 18415 13992 1 19 . 1 1 20 20 ASP C C 20 174.684 174.684 176.040 -1.356 18415 13993 1 19 . 1 1 20 20 ASP CA C 20 53.118 53.118 55.421 -2.303 18415 13994 1 19 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.299 -1.230 18415 13995 1 19 . 1 1 20 20 ASP H H 20 8.834 8.834 8.006 0.828 18415 13996 1 19 . 1 1 21 21 ASN N N 21 118.648 118.648 119.587 -0.939 18415 13997 1 19 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.988 -0.342 18415 13998 1 19 . 1 1 21 21 ASN C C 21 176.542 176.542 174.409 2.133 18415 13999 1 19 . 1 1 21 21 ASN CA C 21 53.452 53.452 52.449 1.003 18415 14000 1 19 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.828 0.625 18415 14001 1 19 . 1 1 21 21 ASN H H 21 8.113 8.113 8.503 -0.390 18415 14002 1 19 . 1 1 22 22 LYS N N 22 122.470 122.470 124.440 -1.970 18415 14003 1 19 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.991 -0.135 18415 14004 1 19 . 1 1 22 22 LYS C C 22 176.711 176.711 176.477 0.234 18415 14005 1 19 . 1 1 22 22 LYS CA C 22 55.665 55.665 53.476 2.189 18415 14006 1 19 . 1 1 22 22 LYS CB C 22 39.539 39.539 37.133 2.406 18415 14007 1 19 . 1 1 22 22 LYS H H 22 8.794 8.794 8.491 0.303 18415 14008 1 19 . 1 1 23 23 THR N N 23 109.009 109.009 113.792 -4.783 18415 14009 1 19 . 1 1 23 23 THR HA H 23 5.647 5.647 4.319 1.328 18415 14010 1 19 . 1 1 23 23 THR C C 23 178.411 178.411 175.306 3.105 18415 14011 1 19 . 1 1 23 23 THR CA C 23 61.773 61.773 60.943 0.830 18415 14012 1 19 . 1 1 23 23 THR CB C 23 71.820 71.820 69.697 2.123 18415 14013 1 19 . 1 1 23 23 THR H H 23 8.250 8.250 8.144 0.106 18415 14014 1 19 . 1 1 24 24 TRP N N 24 126.345 126.345 122.916 3.429 18415 14015 1 19 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.488 -0.458 18415 14016 1 19 . 1 1 24 24 TRP C C 24 178.204 178.204 177.958 0.246 18415 14017 1 19 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.037 2.544 18415 14018 1 19 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.375 1.279 18415 14019 1 19 . 1 1 24 24 TRP H H 24 8.279 8.279 7.446 0.833 18415 14020 1 19 . 1 1 25 25 ALA N N 25 119.965 119.965 119.404 0.561 18415 14021 1 19 . 1 1 25 25 ALA HA H 25 3.948 3.948 4.137 -0.189 18415 14022 1 19 . 1 1 25 25 ALA C C 25 182.089 182.089 179.802 2.287 18415 14023 1 19 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.068 0.822 18415 14024 1 19 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.317 -0.062 18415 14025 1 19 . 1 1 25 25 ALA H H 25 9.634 9.634 8.529 1.105 18415 14026 1 19 . 1 1 26 26 GLU N N 26 116.492 116.492 117.933 -1.441 18415 14027 1 19 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.986 0.077 18415 14028 1 19 . 1 1 26 26 GLU C C 26 179.756 179.756 179.193 0.563 18415 14029 1 19 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.065 -0.770 18415 14030 1 19 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.590 0.893 18415 14031 1 19 . 1 1 26 26 GLU H H 26 7.392 7.392 7.748 -0.356 18415 14032 1 19 . 1 1 27 27 SER N N 27 121.197 121.197 115.342 5.855 18415 14033 1 19 . 1 1 27 27 SER HA H 27 3.855 3.855 4.065 -0.210 18415 14034 1 19 . 1 1 27 27 SER C C 27 174.299 174.299 176.294 -1.995 18415 14035 1 19 . 1 1 27 27 SER CA C 27 63.344 63.344 62.319 1.025 18415 14036 1 19 . 1 1 27 27 SER CB C 27 62.329 62.329 62.561 -0.232 18415 14037 1 19 . 1 1 27 27 SER H H 27 8.596 8.596 8.485 0.111 18415 14038 1 19 . 1 1 28 28 GLU N N 28 124.173 124.173 121.786 2.387 18415 14039 1 19 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.864 0.404 18415 14040 1 19 . 1 1 28 28 GLU C C 28 178.856 178.856 178.280 0.576 18415 14041 1 19 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.710 -0.511 18415 14042 1 19 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.098 -2.198 18415 14043 1 19 . 1 1 28 28 GLU H H 28 8.133 8.133 7.489 0.644 18415 14044 1 19 . 1 1 29 29 ARG N N 29 120.498 120.498 116.502 3.996 18415 14045 1 19 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.205 -0.162 18415 14046 1 19 . 1 1 29 29 ARG C C 29 179.339 179.339 178.137 1.202 18415 14047 1 19 . 1 1 29 29 ARG CA C 29 59.691 59.691 56.772 2.919 18415 14048 1 19 . 1 1 29 29 ARG CB C 29 30.235 30.235 29.818 0.417 18415 14049 1 19 . 1 1 29 29 ARG H H 29 7.962 7.962 7.551 0.411 18415 14050 1 19 . 1 1 30 30 ASN N N 30 119.000 119.000 117.272 1.728 18415 14051 1 19 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.665 -0.218 18415 14052 1 19 . 1 1 30 30 ASN C C 30 178.153 178.153 176.184 1.969 18415 14053 1 19 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.800 2.849 18415 14054 1 19 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.639 0.797 18415 14055 1 19 . 1 1 30 30 ASN H H 30 7.960 7.960 8.021 -0.061 18415 14056 1 19 . 1 1 31 31 CYS N N 31 116.301 116.301 117.400 -1.099 18415 14057 1 19 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.852 -0.371 18415 14058 1 19 . 1 1 31 31 CYS C C 31 178.072 178.072 176.361 1.711 18415 14059 1 19 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.760 -3.350 18415 14060 1 19 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.372 6.337 18415 14061 1 19 . 1 1 31 31 CYS H H 31 8.477 8.477 8.085 0.392 18415 14062 1 19 . 1 1 32 32 SER N N 32 119.834 119.834 115.730 4.104 18415 14063 1 19 . 1 1 32 32 SER HA H 32 4.700 4.700 4.444 0.256 18415 14064 1 19 . 1 1 32 32 SER C C 32 179.062 179.062 176.557 2.505 18415 14065 1 19 . 1 1 32 32 SER CA C 32 61.663 61.663 60.865 0.798 18415 14066 1 19 . 1 1 32 32 SER CB C 32 62.655 62.655 60.920 1.735 18415 14067 1 19 . 1 1 32 32 SER H H 32 9.206 9.206 8.964 0.242 18415 14068 1 19 . 1 1 33 33 GLY N N 33 111.632 111.632 112.112 -0.480 18415 14069 1 19 . 1 1 33 33 GLY C C 33 174.861 174.861 175.348 -0.487 18415 14070 1 19 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.892 -1.225 18415 14071 1 19 . 1 1 33 33 GLY H H 33 8.053 8.053 8.432 -0.379 18415 14072 1 19 . 1 1 34 34 MET N N 34 116.998 116.998 117.692 -0.694 18415 14073 1 19 . 1 1 34 34 MET HA H 34 4.596 4.596 4.718 -0.122 18415 14074 1 19 . 1 1 34 34 MET C C 34 175.356 175.356 175.776 -0.420 18415 14075 1 19 . 1 1 34 34 MET CA C 34 54.887 54.887 53.560 1.327 18415 14076 1 19 . 1 1 34 34 MET CB C 34 33.959 33.959 31.602 2.357 18415 14077 1 19 . 1 1 34 34 MET H H 34 7.441 7.441 7.528 -0.087 18415 14078 1 19 . 1 1 35 35 GLY N N 35 106.474 106.474 109.313 -2.839 18415 14079 1 19 . 1 1 35 35 GLY C C 35 173.112 173.112 172.896 0.216 18415 14080 1 19 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.025 0.376 18415 14081 1 19 . 1 1 35 35 GLY H H 35 7.807 7.807 8.205 -0.398 18415 14082 1 19 . 1 1 36 36 ALA N N 36 121.833 121.833 119.983 1.850 18415 14083 1 19 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.662 0.040 18415 14084 1 19 . 1 1 36 36 ALA C C 36 174.285 174.285 174.971 -0.686 18415 14085 1 19 . 1 1 36 36 ALA CA C 36 49.721 49.721 51.232 -1.511 18415 14086 1 19 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.840 2.822 18415 14087 1 19 . 1 1 36 36 ALA H H 36 7.693 7.693 7.163 0.530 18415 14088 1 19 . 1 1 37 37 HIS N N 37 111.683 111.683 116.477 -4.794 18415 14089 1 19 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.163 -0.032 18415 14090 1 19 . 1 1 37 37 HIS C C 37 175.351 175.351 173.855 1.496 18415 14091 1 19 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.975 -1.402 18415 14092 1 19 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.756 0.215 18415 14093 1 19 . 1 1 37 37 HIS H H 37 8.078 8.078 8.678 -0.600 18415 14094 1 19 . 1 1 38 38 LEU N N 38 123.260 123.260 122.716 0.544 18415 14095 1 19 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.403 0.370 18415 14096 1 19 . 1 1 38 38 LEU C C 38 179.180 179.180 176.189 2.991 18415 14097 1 19 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.602 0.764 18415 14098 1 19 . 1 1 38 38 LEU CB C 38 43.656 43.656 43.041 0.615 18415 14099 1 19 . 1 1 38 38 LEU H H 38 9.964 9.964 8.781 1.183 18415 14100 1 19 . 1 1 39 39 MET N N 39 119.511 119.511 125.588 -6.077 18415 14101 1 19 . 1 1 39 39 MET HA H 39 3.855 3.855 4.472 -0.617 18415 14102 1 19 . 1 1 39 39 MET C C 39 174.874 174.874 175.092 -0.218 18415 14103 1 19 . 1 1 39 39 MET CA C 39 58.789 58.789 56.559 2.229 18415 14104 1 19 . 1 1 39 39 MET CB C 39 34.405 34.405 32.572 1.833 18415 14105 1 19 . 1 1 39 39 MET H H 39 8.409 8.409 8.277 0.132 18415 14106 1 19 . 1 1 40 40 THR N N 40 123.771 123.771 122.218 1.553 18415 14107 1 19 . 1 1 40 40 THR HA H 40 4.013 4.013 4.915 -0.902 18415 14108 1 19 . 1 1 40 40 THR C C 40 172.936 172.936 173.445 -0.509 18415 14109 1 19 . 1 1 40 40 THR CA C 40 59.869 59.869 59.201 0.668 18415 14110 1 19 . 1 1 40 40 THR CB C 40 70.587 70.587 69.732 0.855 18415 14111 1 19 . 1 1 40 40 THR H H 40 6.822 6.822 8.476 -1.654 18415 14112 1 19 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.305 -0.056 18415 14113 1 19 . 1 1 41 41 ILE C C 41 174.349 174.349 175.984 -1.635 18415 14114 1 19 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.642 -2.885 18415 14115 1 19 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.644 0.927 18415 14116 1 19 . 1 1 42 42 SER N N 42 122.113 122.113 122.446 -0.333 18415 14117 1 19 . 1 1 42 42 SER HA H 42 4.647 4.647 4.399 0.248 18415 14118 1 19 . 1 1 42 42 SER C C 42 174.502 174.502 174.404 0.098 18415 14119 1 19 . 1 1 42 42 SER CA C 42 59.768 59.768 59.393 0.375 18415 14120 1 19 . 1 1 42 42 SER CB C 42 64.720 64.720 65.067 -0.347 18415 14121 1 19 . 1 1 42 42 SER H H 42 9.230 9.230 9.615 -0.385 18415 14122 1 19 . 1 1 43 43 THR N N 43 108.516 108.516 112.703 -4.187 18415 14123 1 19 . 1 1 43 43 THR HA H 43 4.807 4.807 4.779 0.028 18415 14124 1 19 . 1 1 43 43 THR C C 43 173.812 173.812 174.807 -0.995 18415 14125 1 19 . 1 1 43 43 THR CA C 43 59.249 59.249 60.254 -1.005 18415 14126 1 19 . 1 1 43 43 THR CB C 43 73.128 73.128 72.086 1.042 18415 14127 1 19 . 1 1 43 43 THR H H 43 7.559 7.559 8.132 -0.573 18415 14128 1 19 . 1 1 44 44 GLU N N 44 123.057 123.057 123.741 -0.684 18415 14129 1 19 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.285 -0.836 18415 14130 1 19 . 1 1 44 44 GLU C C 44 178.262 178.262 178.272 -0.010 18415 14131 1 19 . 1 1 44 44 GLU CA C 44 59.329 59.329 60.241 -0.912 18415 14132 1 19 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.445 -0.003 18415 14133 1 19 . 1 1 44 44 GLU H H 44 9.377 9.377 9.176 0.201 18415 14134 1 19 . 1 1 45 45 ALA N N 45 119.910 119.910 121.170 -1.260 18415 14135 1 19 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.202 -0.152 18415 14136 1 19 . 1 1 45 45 ALA C C 45 180.096 180.096 179.558 0.538 18415 14137 1 19 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.383 -0.203 18415 14138 1 19 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.373 -0.107 18415 14139 1 19 . 1 1 45 45 ALA H H 45 8.328 8.328 8.542 -0.214 18415 14140 1 19 . 1 1 46 46 GLU N N 46 118.861 118.861 119.490 -0.629 18415 14141 1 19 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.766 -0.154 18415 14142 1 19 . 1 1 46 46 GLU C C 46 177.452 177.452 178.291 -0.839 18415 14143 1 19 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.704 -0.420 18415 14144 1 19 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.308 1.205 18415 14145 1 19 . 1 1 46 46 GLU H H 46 7.852 7.852 7.778 0.074 18415 14146 1 19 . 1 1 47 47 GLN N N 47 119.473 119.473 118.905 0.568 18415 14147 1 19 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.855 -0.168 18415 14148 1 19 . 1 1 47 47 GLN C C 47 176.429 176.429 178.013 -1.584 18415 14149 1 19 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.981 0.927 18415 14150 1 19 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.102 1.874 18415 14151 1 19 . 1 1 47 47 GLN H H 47 7.054 7.054 7.753 -0.699 18415 14152 1 19 . 1 1 48 48 ASN N N 48 115.182 115.182 117.076 -1.894 18415 14153 1 19 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.271 -0.058 18415 14154 1 19 . 1 1 48 48 ASN C C 48 176.986 176.986 177.174 -0.188 18415 14155 1 19 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.854 -0.825 18415 14156 1 19 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.531 -0.973 18415 14157 1 19 . 1 1 48 48 ASN H H 48 8.416 8.416 7.738 0.678 18415 14158 1 19 . 1 1 49 49 PHE N N 49 118.413 118.413 118.330 0.083 18415 14159 1 19 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.195 -0.216 18415 14160 1 19 . 1 1 49 49 PHE C C 49 177.254 177.254 177.349 -0.095 18415 14161 1 19 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.743 -0.581 18415 14162 1 19 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.055 -0.972 18415 14163 1 19 . 1 1 49 49 PHE H H 49 7.473 7.473 7.752 -0.279 18415 14164 1 19 . 1 1 50 50 ILE N N 50 117.601 117.601 122.684 -5.083 18415 14165 1 19 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.810 -0.269 18415 14166 1 19 . 1 1 50 50 ILE C C 50 176.891 176.891 176.801 0.090 18415 14167 1 19 . 1 1 50 50 ILE CA C 50 59.652 59.652 63.302 -3.650 18415 14168 1 19 . 1 1 50 50 ILE CB C 50 39.209 39.209 37.883 1.327 18415 14169 1 19 . 1 1 50 50 ILE H H 50 7.020 7.020 8.394 -1.374 18415 14170 1 19 . 1 1 51 51 ILE N N 51 114.824 114.824 115.249 -0.425 18415 14171 1 19 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.831 0.062 18415 14172 1 19 . 1 1 51 51 ILE C C 51 177.092 177.092 176.777 0.315 18415 14173 1 19 . 1 1 51 51 ILE CA C 51 64.204 64.204 63.021 1.183 18415 14174 1 19 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.364 0.556 18415 14175 1 19 . 1 1 51 51 ILE H H 51 7.216 7.216 7.264 -0.048 18415 14176 1 19 . 1 1 52 52 GLN N N 52 116.767 116.767 118.649 -1.882 18415 14177 1 19 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.909 -0.139 18415 14178 1 19 . 1 1 52 52 GLN C C 52 176.442 176.442 178.371 -1.929 18415 14179 1 19 . 1 1 52 52 GLN CA C 52 57.270 57.270 58.069 -0.799 18415 14180 1 19 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.636 0.385 18415 14181 1 19 . 1 1 52 52 GLN H H 52 6.416 6.416 7.529 -1.113 18415 14182 1 19 . 1 1 53 53 PHE N N 53 115.400 115.400 118.954 -3.554 18415 14183 1 19 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.326 0.251 18415 14184 1 19 . 1 1 53 53 PHE C C 53 174.993 174.993 176.411 -1.418 18415 14185 1 19 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.316 -2.421 18415 14186 1 19 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.266 0.267 18415 14187 1 19 . 1 1 53 53 PHE H H 53 7.216 7.216 7.386 -0.170 18415 14188 1 19 . 1 1 54 54 LEU N N 54 118.096 118.096 120.140 -2.044 18415 14189 1 19 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.989 0.102 18415 14190 1 19 . 1 1 54 54 LEU C C 54 175.467 175.467 177.485 -2.018 18415 14191 1 19 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.947 -1.376 18415 14192 1 19 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.640 0.067 18415 14193 1 19 . 1 1 54 54 LEU H H 54 6.668 6.668 7.346 -0.678 18415 14194 1 19 . 1 1 55 55 ASP N N 55 123.723 123.723 120.570 3.153 18415 14195 1 19 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.586 0.229 18415 14196 1 19 . 1 1 55 55 ASP C C 55 177.896 177.896 177.395 0.501 18415 14197 1 19 . 1 1 55 55 ASP CA C 55 53.098 53.098 56.109 -3.011 18415 14198 1 19 . 1 1 55 55 ASP CB C 55 42.662 42.662 41.383 1.279 18415 14199 1 19 . 1 1 55 55 ASP H H 55 8.687 8.687 9.155 -0.468 18415 14200 1 19 . 1 1 56 56 ARG N N 56 124.370 124.370 116.688 7.682 18415 14201 1 19 . 1 1 56 56 ARG HA H 56 4.310 4.310 3.801 0.509 18415 14202 1 19 . 1 1 56 56 ARG C C 56 178.201 178.201 176.927 1.274 18415 14203 1 19 . 1 1 56 56 ARG CA C 56 58.958 58.958 59.290 -0.332 18415 14204 1 19 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.211 2.367 18415 14205 1 19 . 1 1 56 56 ARG H H 56 8.758 8.758 9.078 -0.320 18415 14206 1 19 . 1 1 57 57 ARG N N 57 120.411 120.411 121.086 -0.675 18415 14207 1 19 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.015 0.279 18415 14208 1 19 . 1 1 57 57 ARG C C 57 177.064 177.064 176.059 1.005 18415 14209 1 19 . 1 1 57 57 ARG CA C 57 57.532 57.532 58.418 -0.886 18415 14210 1 19 . 1 1 57 57 ARG CB C 57 30.692 30.692 30.365 0.327 18415 14211 1 19 . 1 1 57 57 ARG H H 57 9.150 9.150 8.168 0.982 18415 14212 1 19 . 1 1 58 58 LEU N N 58 119.445 119.445 120.112 -0.667 18415 14213 1 19 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.433 0.271 18415 14214 1 19 . 1 1 58 58 LEU C C 58 176.450 176.450 175.904 0.546 18415 14215 1 19 . 1 1 58 58 LEU CA C 58 54.279 54.279 54.299 -0.020 18415 14216 1 19 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.793 0.465 18415 14217 1 19 . 1 1 58 58 LEU H H 58 8.328 8.328 7.611 0.717 18415 14218 1 19 . 1 1 59 59 SER N N 59 116.536 116.536 116.929 -0.393 18415 14219 1 19 . 1 1 59 59 SER HA H 59 5.505 5.505 5.064 0.441 18415 14220 1 19 . 1 1 59 59 SER C C 59 173.263 173.263 173.341 -0.078 18415 14221 1 19 . 1 1 59 59 SER CA C 59 57.199 57.199 57.173 0.026 18415 14222 1 19 . 1 1 59 59 SER CB C 59 65.064 65.064 64.141 0.923 18415 14223 1 19 . 1 1 59 59 SER H H 59 8.470 8.470 8.359 0.111 18415 14224 1 19 . 1 1 60 60 TYR N N 60 120.274 120.274 122.716 -2.442 18415 14225 1 19 . 1 1 60 60 TYR HA H 60 4.277 4.277 5.049 -0.772 18415 14226 1 19 . 1 1 60 60 TYR C C 60 175.560 175.560 175.916 -0.356 18415 14227 1 19 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.572 -0.100 18415 14228 1 19 . 1 1 60 60 TYR CB C 60 41.507 41.507 40.146 1.361 18415 14229 1 19 . 1 1 60 60 TYR H H 60 8.897 8.897 9.274 -0.377 18415 14230 1 19 . 1 1 61 61 PHE N N 61 123.635 123.635 124.198 -0.563 18415 14231 1 19 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.574 0.714 18415 14232 1 19 . 1 1 61 61 PHE C C 61 175.433 175.433 174.974 0.459 18415 14233 1 19 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.744 0.331 18415 14234 1 19 . 1 1 61 61 PHE CB C 61 40.869 40.869 38.971 1.898 18415 14235 1 19 . 1 1 61 61 PHE H H 61 9.521 9.521 9.102 0.419 18415 14236 1 19 . 1 1 62 62 LEU N N 62 114.382 114.382 120.015 -5.633 18415 14237 1 19 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.683 0.390 18415 14238 1 19 . 1 1 62 62 LEU C C 62 179.521 179.521 176.271 3.250 18415 14239 1 19 . 1 1 62 62 LEU CA C 62 51.783 51.783 54.252 -2.469 18415 14240 1 19 . 1 1 62 62 LEU CB C 62 46.276 46.276 43.677 2.599 18415 14241 1 19 . 1 1 62 62 LEU H H 62 8.394 8.394 8.006 0.388 18415 14242 1 19 . 1 1 63 63 GLY N N 63 106.675 106.675 107.219 -0.544 18415 14243 1 19 . 1 1 63 63 GLY C C 63 172.404 172.404 173.389 -0.985 18415 14244 1 19 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.577 2.816 18415 14245 1 19 . 1 1 63 63 GLY H H 63 9.253 9.253 8.823 0.430 18415 14246 1 19 . 1 1 64 64 LEU N N 64 124.754 124.754 123.968 0.786 18415 14247 1 19 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.533 0.051 18415 14248 1 19 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.430 0.872 18415 14249 1 19 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.441 0.831 18415 14250 1 19 . 1 1 64 64 LEU H H 64 6.840 6.840 7.707 -0.867 18415 14251 1 19 . 1 1 65 65 ARG N N 65 124.476 124.476 121.599 2.877 18415 14252 1 19 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.078 1.082 18415 14253 1 19 . 1 1 65 65 ARG C C 65 174.245 174.245 174.970 -0.725 18415 14254 1 19 . 1 1 65 65 ARG CA C 65 54.904 54.904 55.431 -0.527 18415 14255 1 19 . 1 1 65 65 ARG CB C 65 34.531 34.531 30.663 3.868 18415 14256 1 19 . 1 1 65 65 ARG H H 65 8.218 8.218 8.328 -0.110 18415 14257 1 19 . 1 1 66 66 ASP N N 66 126.754 126.754 129.172 -2.418 18415 14258 1 19 . 1 1 66 66 ASP HA H 66 4.429 4.429 5.095 -0.666 18415 14259 1 19 . 1 1 66 66 ASP C C 66 176.516 176.516 174.357 2.159 18415 14260 1 19 . 1 1 66 66 ASP CA C 66 51.854 51.854 54.327 -2.473 18415 14261 1 19 . 1 1 66 66 ASP CB C 66 39.768 39.768 40.489 -0.721 18415 14262 1 19 . 1 1 66 66 ASP H H 66 8.756 8.756 8.469 0.287 18415 14263 1 19 . 1 1 67 67 GLU N N 67 123.390 123.390 122.292 1.098 18415 14264 1 19 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.355 -0.579 18415 14265 1 19 . 1 1 67 67 GLU C C 67 175.648 175.648 176.089 -0.441 18415 14266 1 19 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.138 3.710 18415 14267 1 19 . 1 1 67 67 GLU CB C 67 30.316 30.316 31.843 -1.527 18415 14268 1 19 . 1 1 67 67 GLU H H 67 8.488 8.488 7.583 0.905 18415 14269 1 19 . 1 1 68 68 ASN N N 68 114.882 114.882 124.794 -9.912 18415 14270 1 19 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.272 0.392 18415 14271 1 19 . 1 1 68 68 ASN C C 68 174.482 174.482 174.457 0.025 18415 14272 1 19 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.163 -1.249 18415 14273 1 19 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.423 0.989 18415 14274 1 19 . 1 1 68 68 ASN H H 68 8.336 8.336 8.962 -0.626 18415 14275 1 19 . 1 1 69 69 ALA N N 69 118.915 118.915 117.213 1.702 18415 14276 1 19 . 1 1 69 69 ALA HA H 69 3.874 3.874 3.886 -0.012 18415 14277 1 19 . 1 1 69 69 ALA C C 69 177.082 177.082 176.733 0.349 18415 14278 1 19 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.151 0.481 18415 14279 1 19 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.261 -0.090 18415 14280 1 19 . 1 1 69 69 ALA H H 69 7.444 7.444 7.641 -0.197 18415 14281 1 19 . 1 1 70 70 LYS N N 70 117.439 117.439 118.891 -1.452 18415 14282 1 19 . 1 1 70 70 LYS HA H 70 4.318 4.318 3.976 0.342 18415 14283 1 19 . 1 1 70 70 LYS C C 70 177.726 177.726 177.020 0.706 18415 14284 1 19 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.157 -0.734 18415 14285 1 19 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.612 0.124 18415 14286 1 19 . 1 1 70 70 LYS H H 70 7.925 7.925 7.190 0.735 18415 14287 1 19 . 1 1 71 71 GLY C C 71 175.127 175.127 174.158 0.969 18415 14288 1 19 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.125 0.549 18415 14289 1 19 . 1 1 72 72 GLN N N 72 124.084 124.084 119.249 4.835 18415 14290 1 19 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.171 0.220 18415 14291 1 19 . 1 1 72 72 GLN C C 72 174.283 174.283 175.103 -0.820 18415 14292 1 19 . 1 1 72 72 GLN CA C 72 53.157 53.157 54.371 -1.214 18415 14293 1 19 . 1 1 72 72 GLN CB C 72 27.633 27.633 26.566 1.067 18415 14294 1 19 . 1 1 72 72 GLN H H 72 7.749 7.749 7.618 0.131 18415 14295 1 19 . 1 1 73 73 TRP N N 73 121.803 121.803 124.747 -2.944 18415 14296 1 19 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.457 -0.552 18415 14297 1 19 . 1 1 73 73 TRP C C 73 175.776 175.776 176.022 -0.246 18415 14298 1 19 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.286 -0.465 18415 14299 1 19 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.940 -1.064 18415 14300 1 19 . 1 1 73 73 TRP H H 73 6.599 6.599 7.586 -0.987 18415 14301 1 19 . 1 1 74 74 ARG N N 74 119.549 119.549 122.474 -2.925 18415 14302 1 19 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.660 0.046 18415 14303 1 19 . 1 1 74 74 ARG C C 74 176.980 176.980 174.976 2.004 18415 14304 1 19 . 1 1 74 74 ARG CA C 74 54.333 54.333 55.396 -1.063 18415 14305 1 19 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.158 0.465 18415 14306 1 19 . 1 1 74 74 ARG H H 74 8.443 8.443 8.416 0.027 18415 14307 1 19 . 1 1 75 75 TRP N N 75 125.690 125.690 123.092 2.598 18415 14308 1 19 . 1 1 75 75 TRP HA H 75 5.427 5.427 4.691 0.736 18415 14309 1 19 . 1 1 75 75 TRP C C 75 180.474 180.474 177.122 3.352 18415 14310 1 19 . 1 1 75 75 TRP CA C 75 55.766 55.766 59.126 -3.360 18415 14311 1 19 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.078 0.952 18415 14312 1 19 . 1 1 75 75 TRP H H 75 9.052 9.052 9.165 -0.113 18415 14313 1 19 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.313 -0.035 18415 14314 1 19 . 1 1 76 76 VAL C C 76 175.431 175.431 175.280 0.151 18415 14315 1 19 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.263 0.301 18415 14316 1 19 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.645 -0.276 18415 14317 1 19 . 1 1 77 77 ASP N N 77 119.941 119.941 115.594 4.347 18415 14318 1 19 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.745 -0.767 18415 14319 1 19 . 1 1 77 77 ASP C C 77 176.293 176.293 175.637 0.656 18415 14320 1 19 . 1 1 77 77 ASP CA C 77 52.759 52.759 53.868 -1.109 18415 14321 1 19 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.120 -0.710 18415 14322 1 19 . 1 1 77 77 ASP H H 77 8.004 8.004 8.141 -0.137 18415 14323 1 19 . 1 1 78 78 GLN N N 78 109.962 109.962 124.011 -14.049 18415 14324 1 19 . 1 1 78 78 GLN HA H 78 4.125 4.125 3.927 0.198 18415 14325 1 19 . 1 1 78 78 GLN C C 78 176.387 176.387 176.051 0.336 18415 14326 1 19 . 1 1 78 78 GLN CA C 78 57.792 57.792 58.018 -0.226 18415 14327 1 19 . 1 1 78 78 GLN CB C 78 26.101 26.101 27.896 -1.795 18415 14328 1 19 . 1 1 78 78 GLN H H 78 8.124 8.124 8.929 -0.805 18415 14329 1 19 . 1 1 79 79 THR N N 79 121.656 121.656 119.687 1.969 18415 14330 1 19 . 1 1 79 79 THR HA H 79 4.250 4.250 4.237 0.013 18415 14331 1 19 . 1 1 79 79 THR C C 79 172.901 172.901 173.186 -0.285 18415 14332 1 19 . 1 1 79 79 THR CA C 79 63.165 63.165 63.954 -0.789 18415 14333 1 19 . 1 1 79 79 THR CB C 79 69.427 69.427 67.788 1.639 18415 14334 1 19 . 1 1 79 79 THR H H 79 8.172 8.172 8.295 -0.123 18415 14335 1 19 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.681 -0.159 18415 14336 1 19 . 1 1 80 80 PRO C C 80 176.940 176.940 176.261 0.679 18415 14337 1 19 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.806 0.882 18415 14338 1 19 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.474 -0.287 18415 14339 1 19 . 1 1 81 81 PHE N N 81 125.403 125.403 122.291 3.112 18415 14340 1 19 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.367 0.542 18415 14341 1 19 . 1 1 81 81 PHE C C 81 174.853 174.853 174.779 0.074 18415 14342 1 19 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.615 -1.262 18415 14343 1 19 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.754 0.265 18415 14344 1 19 . 1 1 81 81 PHE H H 81 9.015 9.015 8.205 0.810 18415 14345 1 19 . 1 1 82 82 ASN N N 82 129.264 129.264 126.843 2.421 18415 14346 1 19 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.916 0.139 18415 14347 1 19 . 1 1 82 82 ASN C C 82 173.643 173.643 173.281 0.362 18415 14348 1 19 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.282 -1.479 18415 14349 1 19 . 1 1 82 82 ASN CB C 82 39.495 39.495 40.030 -0.535 18415 14350 1 19 . 1 1 82 82 ASN H H 82 8.985 8.985 7.915 1.070 18415 14351 1 19 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.402 -0.399 18415 14352 1 19 . 1 1 83 83 PRO C C 83 177.123 177.123 177.130 -0.007 18415 14353 1 19 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.562 -0.777 18415 14354 1 19 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.332 0.182 18415 14355 1 19 . 1 1 84 84 ARG N N 84 114.801 114.801 116.268 -1.467 18415 14356 1 19 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.252 0.071 18415 14357 1 19 . 1 1 84 84 ARG C C 84 176.890 176.890 176.851 0.039 18415 14358 1 19 . 1 1 84 84 ARG CA C 84 56.003 56.003 57.188 -1.185 18415 14359 1 19 . 1 1 84 84 ARG CB C 84 30.158 30.158 31.502 -1.343 18415 14360 1 19 . 1 1 84 84 ARG H H 84 7.697 7.697 7.754 -0.057 18415 14361 1 19 . 1 1 85 85 ARG N N 85 123.958 123.958 118.524 5.434 18415 14362 1 19 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.757 0.548 18415 14363 1 19 . 1 1 85 85 ARG C C 85 173.017 173.017 174.725 -1.708 18415 14364 1 19 . 1 1 85 85 ARG CA C 85 53.809 53.809 55.287 -1.478 18415 14365 1 19 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.220 -0.180 18415 14366 1 19 . 1 1 85 85 ARG H H 85 7.596 7.596 8.123 -0.527 18415 14367 1 19 . 1 1 86 86 VAL N N 86 110.039 110.039 121.273 -11.234 18415 14368 1 19 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.851 -0.052 18415 14369 1 19 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.825 -2.559 18415 14370 1 19 . 1 1 86 86 VAL CB C 86 34.226 34.226 31.651 2.575 18415 14371 1 19 . 1 1 86 86 VAL H H 86 6.570 6.570 7.120 -0.550 18415 14372 1 19 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.325 -0.003 18415 14373 1 19 . 1 1 87 87 PHE C C 87 173.471 173.471 174.718 -1.247 18415 14374 1 19 . 1 1 87 87 PHE CA C 87 55.377 55.377 56.240 -0.863 18415 14375 1 19 . 1 1 87 87 PHE CB C 87 37.384 37.384 36.004 1.380 18415 14376 1 19 . 1 1 88 88 TRP N N 88 118.538 118.538 122.020 -3.482 18415 14377 1 19 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.546 0.256 18415 14378 1 19 . 1 1 88 88 TRP C C 88 179.297 179.297 177.388 1.909 18415 14379 1 19 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.276 -0.039 18415 14380 1 19 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.346 1.204 18415 14381 1 19 . 1 1 88 88 TRP H H 88 6.633 6.633 7.873 -1.240 18415 14382 1 19 . 1 1 89 89 HIS N N 89 122.693 122.693 123.942 -1.249 18415 14383 1 19 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.766 -0.395 18415 14384 1 19 . 1 1 89 89 HIS C C 89 175.621 175.621 175.489 0.132 18415 14385 1 19 . 1 1 89 89 HIS CA C 89 58.121 58.121 54.872 3.249 18415 14386 1 19 . 1 1 89 89 HIS CB C 89 32.712 32.712 27.885 4.827 18415 14387 1 19 . 1 1 89 89 HIS H H 89 9.473 9.473 8.831 0.642 18415 14388 1 19 . 1 1 90 90 LYS N N 90 120.826 120.826 121.144 -0.318 18415 14389 1 19 . 1 1 90 90 LYS HA H 90 4.111 4.111 3.996 0.115 18415 14390 1 19 . 1 1 90 90 LYS C C 90 177.228 177.228 176.835 0.393 18415 14391 1 19 . 1 1 90 90 LYS CA C 90 58.242 58.242 59.295 -1.053 18415 14392 1 19 . 1 1 90 90 LYS CB C 90 32.482 32.482 30.740 1.742 18415 14393 1 19 . 1 1 90 90 LYS H H 90 8.741 8.741 8.168 0.573 18415 14394 1 19 . 1 1 91 91 ASN N N 91 117.166 117.166 120.217 -3.051 18415 14395 1 19 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.779 -0.463 18415 14396 1 19 . 1 1 91 91 ASN C C 91 173.391 173.391 174.627 -1.236 18415 14397 1 19 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.393 1.942 18415 14398 1 19 . 1 1 91 91 ASN CB C 91 37.385 37.385 39.387 -2.002 18415 14399 1 19 . 1 1 91 91 ASN H H 91 8.906 8.906 8.453 0.453 18415 14400 1 19 . 1 1 92 92 GLU N N 92 116.991 116.991 121.906 -4.915 18415 14401 1 19 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.813 -0.526 18415 14402 1 19 . 1 1 92 92 GLU C C 92 173.188 173.188 174.364 -1.176 18415 14403 1 19 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.668 -0.397 18415 14404 1 19 . 1 1 92 92 GLU CB C 92 30.454 30.454 30.126 0.328 18415 14405 1 19 . 1 1 92 92 GLU H H 92 7.738 7.738 7.878 -0.140 18415 14406 1 19 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.885 -0.241 18415 14407 1 19 . 1 1 95 95 ASN C C 95 175.699 175.699 174.278 1.421 18415 14408 1 19 . 1 1 95 95 ASN CA C 95 53.459 53.459 52.100 1.359 18415 14409 1 19 . 1 1 95 95 ASN CB C 95 38.725 38.725 41.143 -2.418 18415 14410 1 19 . 1 1 96 96 SER N N 96 116.489 116.489 114.191 2.298 18415 14411 1 19 . 1 1 96 96 SER HA H 96 4.405 4.405 4.239 0.166 18415 14412 1 19 . 1 1 96 96 SER C C 96 174.831 174.831 173.781 1.050 18415 14413 1 19 . 1 1 96 96 SER CA C 96 58.753 58.753 59.521 -0.768 18415 14414 1 19 . 1 1 96 96 SER CB C 96 64.216 64.216 62.943 1.273 18415 14415 1 19 . 1 1 96 96 SER H H 96 8.118 8.118 8.503 -0.385 18415 14416 1 19 . 1 1 97 97 GLN N N 97 121.023 121.023 120.449 0.574 18415 14417 1 19 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.592 -0.340 18415 14418 1 19 . 1 1 97 97 GLN C C 97 176.063 176.063 175.518 0.545 18415 14419 1 19 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.240 0.717 18415 14420 1 19 . 1 1 97 97 GLN CB C 97 29.528 29.528 29.954 -0.426 18415 14421 1 19 . 1 1 97 97 GLN H H 97 8.371 8.371 8.768 -0.397 18415 14422 1 19 . 1 1 98 98 GLY N N 98 110.498 110.498 107.753 2.745 18415 14423 1 19 . 1 1 98 98 GLY C C 98 172.460 172.460 173.521 -1.061 18415 14424 1 19 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.658 -0.722 18415 14425 1 19 . 1 1 98 98 GLY H H 98 8.080 8.080 7.612 0.468 18415 14426 1 19 . 1 1 99 99 GLU N N 99 119.919 119.919 124.223 -4.304 18415 14427 1 19 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.616 -0.345 18415 14428 1 19 . 1 1 99 99 GLU C C 99 176.605 176.605 175.367 1.238 18415 14429 1 19 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.735 0.773 18415 14430 1 19 . 1 1 99 99 GLU CB C 99 29.469 29.469 29.630 -0.161 18415 14431 1 19 . 1 1 99 99 GLU H H 99 8.004 8.004 8.017 -0.013 18415 14432 1 19 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.048 0.232 18415 14433 1 19 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.902 1.479 18415 14434 1 19 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.133 2.784 18415 14435 1 19 . 1 1 101 101 CYS N N 101 121.118 121.118 121.257 -0.139 18415 14436 1 19 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.534 0.956 18415 14437 1 19 . 1 1 101 101 CYS CA C 101 59.338 59.338 60.559 -1.221 18415 14438 1 19 . 1 1 101 101 CYS CB C 101 43.778 43.778 26.059 17.719 18415 14439 1 19 . 1 1 101 101 CYS H H 101 9.707 9.707 7.984 1.723 18415 14440 1 19 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.370 -0.184 18415 14441 1 19 . 1 1 102 102 VAL C C 102 175.530 175.530 175.591 -0.061 18415 14442 1 19 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.758 2.275 18415 14443 1 19 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.375 2.779 18415 14444 1 19 . 1 1 103 103 VAL N N 103 115.890 115.890 117.608 -1.718 18415 14445 1 19 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.891 0.457 18415 14446 1 19 . 1 1 103 103 VAL C C 103 175.136 175.136 174.388 0.748 18415 14447 1 19 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.937 -1.200 18415 14448 1 19 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.638 -0.504 18415 14449 1 19 . 1 1 103 103 VAL H H 103 8.698 8.698 8.326 0.372 18415 14450 1 19 . 1 1 104 104 LEU N N 104 124.477 124.477 125.964 -1.487 18415 14451 1 19 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.252 -0.276 18415 14452 1 19 . 1 1 104 104 LEU C C 104 176.248 176.248 175.480 0.768 18415 14453 1 19 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.865 0.128 18415 14454 1 19 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.476 2.366 18415 14455 1 19 . 1 1 104 104 LEU H H 104 9.453 9.453 9.179 0.274 18415 14456 1 19 . 1 1 105 105 VAL N N 105 123.109 123.109 126.991 -3.882 18415 14457 1 19 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.805 0.210 18415 14458 1 19 . 1 1 105 105 VAL C C 105 173.635 173.635 173.413 0.222 18415 14459 1 19 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.350 1.883 18415 14460 1 19 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.078 0.556 18415 14461 1 19 . 1 1 105 105 VAL H H 105 9.477 9.477 9.087 0.390 18415 14462 1 19 . 1 1 106 106 TYR N N 106 136.491 136.491 127.182 9.309 18415 14463 1 19 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.227 0.238 18415 14464 1 19 . 1 1 106 106 TYR C C 106 175.009 175.009 173.818 1.191 18415 14465 1 19 . 1 1 106 106 TYR CA C 106 57.049 57.049 58.031 -0.982 18415 14466 1 19 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.573 0.378 18415 14467 1 19 . 1 1 106 106 TYR H H 106 9.509 9.509 8.145 1.364 18415 14468 1 19 . 1 1 107 107 ASN N N 107 124.433 124.433 123.734 0.699 18415 14469 1 19 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.937 -0.387 18415 14470 1 19 . 1 1 107 107 ASN C C 107 173.919 173.919 174.651 -0.732 18415 14471 1 19 . 1 1 107 107 ASN CA C 107 52.609 52.609 51.848 0.761 18415 14472 1 19 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.159 -0.149 18415 14473 1 19 . 1 1 107 107 ASN H H 107 8.329 8.329 8.504 -0.175 18415 14474 1 19 . 1 1 108 108 GLN N N 108 119.681 119.681 121.259 -1.578 18415 14475 1 19 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.900 -0.246 18415 14476 1 19 . 1 1 108 108 GLN C C 108 175.060 175.060 174.778 0.282 18415 14477 1 19 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.118 0.488 18415 14478 1 19 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.598 -1.334 18415 14479 1 19 . 1 1 108 108 GLN H H 108 8.558 8.558 8.997 -0.439 18415 14480 1 19 . 1 1 109 109 ASP N N 109 109.712 109.712 113.232 -3.520 18415 14481 1 19 . 1 1 109 109 ASP HA H 109 3.977 3.977 4.111 -0.134 18415 14482 1 19 . 1 1 109 109 ASP C C 109 174.354 174.354 174.101 0.253 18415 14483 1 19 . 1 1 109 109 ASP CA C 109 55.199 55.199 54.930 0.269 18415 14484 1 19 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.344 -0.318 18415 14485 1 19 . 1 1 109 109 ASP H H 109 8.199 8.199 8.450 -0.251 18415 14486 1 19 . 1 1 110 110 LYS N N 110 115.590 115.590 114.598 0.992 18415 14487 1 19 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.267 0.285 18415 14488 1 19 . 1 1 110 110 LYS C C 110 174.674 174.674 174.341 0.333 18415 14489 1 19 . 1 1 110 110 LYS CA C 110 55.469 55.469 53.996 1.473 18415 14490 1 19 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.339 1.250 18415 14491 1 19 . 1 1 110 110 LYS H H 110 7.081 7.081 7.476 -0.395 18415 14492 1 19 . 1 1 111 111 TRP N N 111 122.248 122.248 121.637 0.611 18415 14493 1 19 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.120 -0.047 18415 14494 1 19 . 1 1 111 111 TRP C C 111 175.920 175.920 176.302 -0.382 18415 14495 1 19 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.445 -0.256 18415 14496 1 19 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.247 0.622 18415 14497 1 19 . 1 1 111 111 TRP H H 111 8.650 8.650 8.332 0.318 18415 14498 1 19 . 1 1 112 112 ALA N N 112 124.184 124.184 124.300 -0.116 18415 14499 1 19 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.372 -0.203 18415 14500 1 19 . 1 1 112 112 ALA C C 112 174.995 174.995 175.290 -0.295 18415 14501 1 19 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.556 0.759 18415 14502 1 19 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.686 -4.804 18415 14503 1 19 . 1 1 112 112 ALA H H 112 8.790 8.790 8.909 -0.119 18415 14504 1 19 . 1 1 113 113 TRP N N 113 118.725 118.725 120.441 -1.716 18415 14505 1 19 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.442 0.714 18415 14506 1 19 . 1 1 113 113 TRP C C 113 177.471 177.471 176.443 1.028 18415 14507 1 19 . 1 1 113 113 TRP CA C 113 54.615 54.615 55.114 -0.499 18415 14508 1 19 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.460 2.913 18415 14509 1 19 . 1 1 113 113 TRP H H 113 8.969 8.969 7.825 1.144 18415 14510 1 19 . 1 1 114 114 ASN N N 114 120.479 120.479 120.641 -0.162 18415 14511 1 19 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.050 0.440 18415 14512 1 19 . 1 1 114 114 ASN C C 114 174.708 174.708 174.388 0.320 18415 14513 1 19 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.197 -0.439 18415 14514 1 19 . 1 1 114 114 ASN CB C 114 42.018 42.018 41.750 0.268 18415 14515 1 19 . 1 1 114 114 ASN H H 114 9.518 9.518 8.932 0.586 18415 14516 1 19 . 1 1 115 115 ASP N N 115 118.209 118.209 124.782 -6.573 18415 14517 1 19 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.778 1.093 18415 14518 1 19 . 1 1 115 115 ASP C C 115 174.291 174.291 175.137 -0.846 18415 14519 1 19 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.209 -2.022 18415 14520 1 19 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.075 -0.571 18415 14521 1 19 . 1 1 115 115 ASP H H 115 8.563 8.563 8.599 -0.036 18415 14522 1 19 . 1 1 116 116 VAL N N 116 118.669 118.669 120.845 -2.176 18415 14523 1 19 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.509 0.386 18415 14524 1 19 . 1 1 116 116 VAL C C 116 172.334 172.334 173.065 -0.731 18415 14525 1 19 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.265 0.016 18415 14526 1 19 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.484 -0.151 18415 14527 1 19 . 1 1 116 116 VAL H H 116 9.369 9.369 7.920 1.449 18415 14528 1 19 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.597 0.337 18415 14529 1 19 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.608 0.467 18415 14530 1 19 . 1 1 117 117 PRO CB C 117 32.359 32.359 32.272 0.087 18415 14531 1 19 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.753 -0.303 18415 14532 1 19 . 1 1 118 118 CYS C C 118 175.583 175.583 176.648 -1.065 18415 14533 1 19 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.737 -1.833 18415 14534 1 19 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.776 17.065 18415 14535 1 19 . 1 1 119 119 ASN N N 119 117.251 117.251 118.487 -1.236 18415 14536 1 19 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.616 0.297 18415 14537 1 19 . 1 1 119 119 ASN C C 119 174.849 174.849 174.937 -0.088 18415 14538 1 19 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.859 -0.717 18415 14539 1 19 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.485 -1.409 18415 14540 1 19 . 1 1 119 119 ASN H H 119 8.411 8.411 8.684 -0.273 18415 14541 1 19 . 1 1 120 120 PHE N N 120 123.415 123.415 122.325 1.090 18415 14542 1 19 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.603 -0.057 18415 14543 1 19 . 1 1 120 120 PHE C C 120 173.156 173.156 174.524 -1.368 18415 14544 1 19 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.956 0.404 18415 14545 1 19 . 1 1 120 120 PHE CB C 120 40.449 40.449 40.613 -0.164 18415 14546 1 19 . 1 1 120 120 PHE H H 120 8.097 8.097 7.831 0.266 18415 14547 1 19 . 1 1 121 121 GLU N N 121 119.143 119.143 124.664 -5.521 18415 14548 1 19 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.560 -0.007 18415 14549 1 19 . 1 1 121 121 GLU C C 121 174.732 174.732 174.161 0.571 18415 14550 1 19 . 1 1 121 121 GLU CA C 121 54.588 54.588 54.339 0.249 18415 14551 1 19 . 1 1 121 121 GLU CB C 121 30.420 30.420 31.895 -1.474 18415 14552 1 19 . 1 1 121 121 GLU H H 121 7.012 7.012 8.233 -1.221 18415 14553 1 19 . 1 1 122 122 ALA N N 122 125.793 125.793 123.152 2.641 18415 14554 1 19 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.445 0.026 18415 14555 1 19 . 1 1 122 122 ALA C C 122 177.616 177.616 175.267 2.349 18415 14556 1 19 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.736 0.507 18415 14557 1 19 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.002 -0.400 18415 14558 1 19 . 1 1 122 122 ALA H H 122 8.441 8.441 8.359 0.082 18415 14559 1 19 . 1 1 123 123 SER N N 123 115.420 115.420 114.852 0.568 18415 14560 1 19 . 1 1 123 123 SER HA H 123 4.522 4.522 5.153 -0.631 18415 14561 1 19 . 1 1 123 123 SER C C 123 172.514 172.514 174.461 -1.947 18415 14562 1 19 . 1 1 123 123 SER CA C 123 60.661 60.661 57.729 2.932 18415 14563 1 19 . 1 1 123 123 SER CB C 123 62.943 62.943 63.859 -0.916 18415 14564 1 19 . 1 1 123 123 SER H H 123 7.716 7.716 8.043 -0.327 18415 14565 1 19 . 1 1 124 124 ARG N N 124 112.529 112.529 117.433 -4.904 18415 14566 1 19 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.036 0.454 18415 14567 1 19 . 1 1 124 124 ARG C C 124 173.779 173.779 174.306 -0.527 18415 14568 1 19 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.056 0.882 18415 14569 1 19 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.718 -1.793 18415 14570 1 19 . 1 1 124 124 ARG H H 124 8.840 8.840 8.404 0.436 18415 14571 1 19 . 1 1 125 125 ILE N N 125 116.525 116.525 119.299 -2.774 18415 14572 1 19 . 1 1 125 125 ILE HA H 125 4.718 4.718 5.238 -0.520 18415 14573 1 19 . 1 1 125 125 ILE C C 125 175.656 175.656 174.944 0.712 18415 14574 1 19 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.259 1.577 18415 14575 1 19 . 1 1 125 125 ILE CB C 125 41.558 41.558 42.198 -0.640 18415 14576 1 19 . 1 1 125 125 ILE H H 125 6.989 6.989 8.258 -1.269 18415 14577 1 19 . 1 1 126 126 CYS N N 126 123.910 123.910 125.894 -1.984 18415 14578 1 19 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.239 0.331 18415 14579 1 19 . 1 1 126 126 CYS C C 126 173.662 173.662 173.785 -0.123 18415 14580 1 19 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.594 -5.755 18415 14581 1 19 . 1 1 126 126 CYS CB C 126 39.141 39.141 28.916 10.225 18415 14582 1 19 . 1 1 126 126 CYS H H 126 8.288 8.288 8.889 -0.601 18415 14583 1 19 . 1 1 127 127 LYS N N 127 124.170 124.170 123.523 0.647 18415 14584 1 19 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.588 0.031 18415 14585 1 19 . 1 1 127 127 LYS C C 127 174.637 174.637 174.895 -0.258 18415 14586 1 19 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.609 0.626 18415 14587 1 19 . 1 1 127 127 LYS CB C 127 38.518 38.518 36.237 2.281 18415 14588 1 19 . 1 1 127 127 LYS H H 127 9.681 9.681 9.359 0.322 18415 14589 1 19 . 1 1 128 128 ILE N N 128 129.226 129.226 125.330 3.896 18415 14590 1 19 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.614 0.286 18415 14591 1 19 . 1 1 128 128 ILE C C 128 172.463 172.463 173.270 -0.807 18415 14592 1 19 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.756 0.628 18415 14593 1 19 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.241 2.647 18415 14594 1 19 . 1 1 128 128 ILE H H 128 9.205 9.205 8.863 0.342 18415 14595 1 19 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.587 0.404 18415 14596 1 19 . 1 1 129 129 PRO C C 129 177.954 177.954 177.819 0.135 18415 14597 1 19 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.119 0.505 18415 14598 1 19 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.289 0.212 18415 14599 1 19 . 1 1 130 130 GLY N N 130 110.745 110.745 109.114 1.631 18415 14600 1 19 . 1 1 130 130 GLY C C 130 175.022 175.022 175.193 -0.171 18415 14601 1 19 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.055 1.201 18415 14602 1 19 . 1 1 130 130 GLY H H 130 8.673 8.673 8.449 0.224 18415 14603 1 19 . 1 1 131 131 THR N N 131 112.246 112.246 116.564 -4.318 18415 14604 1 19 . 1 1 131 131 THR HA H 131 4.427 4.427 4.105 0.322 18415 14605 1 19 . 1 1 131 131 THR C C 131 175.259 175.259 175.759 -0.500 18415 14606 1 19 . 1 1 131 131 THR CA C 131 61.500 61.500 64.655 -3.155 18415 14607 1 19 . 1 1 131 131 THR CB C 131 69.998 69.998 68.963 1.035 18415 14608 1 19 . 1 1 131 131 THR H H 131 7.870 7.870 8.280 -0.410 18415 14609 1 19 . 1 1 132 132 THR N N 132 116.455 116.455 117.608 -1.153 18415 14610 1 19 . 1 1 132 132 THR HA H 132 4.281 4.281 3.979 0.302 18415 14611 1 19 . 1 1 132 132 THR C C 132 174.867 174.867 175.215 -0.348 18415 14612 1 19 . 1 1 132 132 THR CA C 132 62.453 62.453 66.567 -4.114 18415 14613 1 19 . 1 1 132 132 THR CB C 132 69.868 69.868 68.344 1.524 18415 14614 1 19 . 1 1 132 132 THR H H 132 8.120 8.120 8.227 -0.107 18415 14615 1 19 . 1 1 133 133 LEU N N 133 124.001 124.001 118.433 5.568 18415 14616 1 19 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.232 0.030 18415 14617 1 19 . 1 1 133 133 LEU C C 133 177.365 177.365 177.894 -0.529 18415 14618 1 19 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.286 -0.539 18415 14619 1 19 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.757 0.565 18415 14620 1 19 . 1 1 133 133 LEU H H 133 8.117 8.117 7.418 0.699 18415 14621 1 19 . 1 1 134 134 ASN N N 134 119.222 119.222 117.422 1.800 18415 14622 1 19 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.654 -0.033 18415 14623 1 19 . 1 1 134 134 ASN C C 134 175.725 175.725 176.469 -0.744 18415 14624 1 19 . 1 1 134 134 ASN CA C 134 53.625 53.625 54.892 -1.266 18415 14625 1 19 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.383 -0.548 18415 14626 1 19 . 1 1 134 134 ASN H H 134 8.325 8.325 7.456 0.869 18415 14627 1 19 . 1 1 135 135 ALA N N 135 123.649 123.649 123.787 -0.138 18415 14628 1 19 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.667 -0.538 18415 14629 1 19 . 1 1 135 135 ALA C C 135 179.061 179.061 177.137 1.924 18415 14630 1 19 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.505 2.427 18415 14631 1 19 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.486 1.453 18415 14632 1 19 . 1 1 135 135 ALA H H 135 8.205 8.205 8.157 0.048 18415 14633 1 19 . 1 1 136 136 GLU N N 136 119.187 119.187 120.181 -0.994 18415 14634 1 19 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.068 0.137 18415 14635 1 19 . 1 1 136 136 GLU C C 136 177.504 177.504 178.444 -0.940 18415 14636 1 19 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.286 -1.407 18415 14637 1 19 . 1 1 136 136 GLU CB C 136 29.646 29.646 29.086 0.560 18415 14638 1 19 . 1 1 136 136 GLU H H 136 8.349 8.349 7.773 0.576 18415 14639 1 19 . 1 1 137 137 ASN N N 137 118.988 118.988 117.822 1.166 18415 14640 1 19 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.686 -0.049 18415 14641 1 19 . 1 1 137 137 ASN C C 137 176.785 176.785 177.440 -0.655 18415 14642 1 19 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.249 -0.775 18415 14643 1 19 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.623 0.086 18415 14644 1 19 . 1 1 137 137 ASN H H 137 8.259 8.259 8.278 -0.019 18415 14645 1 19 . 1 1 138 138 LEU N N 138 121.438 121.438 121.775 -0.337 18415 14646 1 19 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.016 0.119 18415 14647 1 19 . 1 1 138 138 LEU C C 138 178.872 178.872 178.648 0.224 18415 14648 1 19 . 1 1 138 138 LEU CA C 138 56.927 56.927 58.522 -1.595 18415 14649 1 19 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.962 0.039 18415 14650 1 19 . 1 1 138 138 LEU H H 138 8.084 8.084 7.790 0.294 18415 14651 1 19 . 1 1 139 139 TYR N N 139 120.558 120.558 119.027 1.531 18415 14652 1 19 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.592 -0.306 18415 14653 1 19 . 1 1 139 139 TYR C C 139 177.587 177.587 177.644 -0.057 18415 14654 1 19 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.145 -0.000 18415 14655 1 19 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.803 -0.437 18415 14656 1 19 . 1 1 139 139 TYR H H 139 8.130 8.130 8.663 -0.533 18415 14657 1 19 . 1 1 140 140 PHE N N 140 120.508 120.508 120.323 0.185 18415 14658 1 19 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.214 0.141 18415 14659 1 19 . 1 1 140 140 PHE C C 140 177.425 177.425 176.860 0.565 18415 14660 1 19 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.653 -1.023 18415 14661 1 19 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.292 -0.040 18415 14662 1 19 . 1 1 140 140 PHE H H 140 8.275 8.275 7.870 0.405 18415 14663 1 19 . 1 1 141 141 GLN N N 141 119.274 119.274 117.429 1.845 18415 14664 1 19 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.271 -0.158 18415 14665 1 19 . 1 1 141 141 GLN C C 141 176.976 176.976 176.523 0.453 18415 14666 1 19 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.783 0.580 18415 14667 1 19 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.683 -0.655 18415 14668 1 19 . 1 1 141 141 GLN H H 141 8.250 8.250 7.779 0.471 18415 14669 1 20 . 1 1 2 2 VAL HA H 2 3.787 3.787 4.434 -0.647 18415 14670 1 20 . 1 1 2 2 VAL C C 2 172.250 172.250 174.480 -2.230 18415 14671 1 20 . 1 1 2 2 VAL CA C 2 61.294 61.294 60.877 0.417 18415 14672 1 20 . 1 1 2 2 VAL CB C 2 33.708 33.708 31.974 1.734 18415 14673 1 20 . 1 1 3 3 CYS N N 3 121.988 121.988 125.345 -3.357 18415 14674 1 20 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.436 0.769 18415 14675 1 20 . 1 1 3 3 CYS C C 3 171.993 171.993 172.443 -0.450 18415 14676 1 20 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.968 -4.924 18415 14677 1 20 . 1 1 3 3 CYS CB C 3 39.461 39.461 30.168 9.293 18415 14678 1 20 . 1 1 3 3 CYS H H 3 8.628 8.628 8.468 0.160 18415 14679 1 20 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.812 0.011 18415 14680 1 20 . 1 1 5 5 ILE C C 5 176.622 176.622 176.812 -0.190 18415 14681 1 20 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.900 0.400 18415 14682 1 20 . 1 1 5 5 ILE CB C 5 38.044 38.044 38.399 -0.355 18415 14683 1 20 . 1 1 6 6 ASP N N 6 117.894 117.894 120.443 -2.549 18415 14684 1 20 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.506 -0.162 18415 14685 1 20 . 1 1 6 6 ASP H H 6 8.606 8.606 8.527 0.079 18415 14686 1 20 . 1 1 7 7 TRP N N 7 120.564 120.564 118.108 2.456 18415 14687 1 20 . 1 1 7 7 TRP HA H 7 4.690 4.690 5.035 -0.345 18415 14688 1 20 . 1 1 7 7 TRP C C 7 176.415 176.415 176.817 -0.402 18415 14689 1 20 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.285 0.753 18415 14690 1 20 . 1 1 7 7 TRP CB C 7 28.771 28.771 30.431 -1.661 18415 14691 1 20 . 1 1 7 7 TRP H H 7 8.208 8.208 7.775 0.433 18415 14692 1 20 . 1 1 8 8 ARG N N 8 119.872 119.872 119.638 0.234 18415 14693 1 20 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.654 0.032 18415 14694 1 20 . 1 1 8 8 ARG C C 8 176.146 176.146 174.894 1.252 18415 14695 1 20 . 1 1 8 8 ARG CA C 8 53.941 53.941 53.645 0.297 18415 14696 1 20 . 1 1 8 8 ARG CB C 8 31.563 31.563 32.647 -1.084 18415 14697 1 20 . 1 1 8 8 ARG H H 8 9.456 9.456 9.315 0.141 18415 14698 1 20 . 1 1 9 9 ALA N N 9 127.265 127.265 126.762 0.503 18415 14699 1 20 . 1 1 9 9 ALA HA H 9 5.391 5.391 5.520 -0.129 18415 14700 1 20 . 1 1 9 9 ALA C C 9 176.927 176.927 176.457 0.470 18415 14701 1 20 . 1 1 9 9 ALA CA C 9 52.010 52.010 50.765 1.245 18415 14702 1 20 . 1 1 9 9 ALA CB C 9 22.663 22.663 21.174 1.489 18415 14703 1 20 . 1 1 9 9 ALA H H 9 8.819 8.819 8.502 0.317 18415 14704 1 20 . 1 1 10 10 PHE N N 10 120.450 120.450 125.775 -5.325 18415 14705 1 20 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.752 -0.558 18415 14706 1 20 . 1 1 10 10 PHE C C 10 174.606 174.606 175.052 -0.446 18415 14707 1 20 . 1 1 10 10 PHE CA C 10 58.526 58.526 58.021 0.505 18415 14708 1 20 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.815 -0.954 18415 14709 1 20 . 1 1 10 10 PHE H H 10 8.202 8.202 9.058 -0.856 18415 14710 1 20 . 1 1 11 11 GLN N N 11 126.391 126.391 124.644 1.747 18415 14711 1 20 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.636 -0.175 18415 14712 1 20 . 1 1 11 11 GLN C C 11 175.859 175.859 175.661 0.198 18415 14713 1 20 . 1 1 11 11 GLN CA C 11 57.252 57.252 57.838 -0.586 18415 14714 1 20 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.525 -1.563 18415 14715 1 20 . 1 1 11 11 GLN H H 11 8.872 8.872 8.684 0.188 18415 14716 1 20 . 1 1 12 12 SER N N 12 113.087 113.087 113.478 -0.391 18415 14717 1 20 . 1 1 12 12 SER HA H 12 4.252 4.252 4.661 -0.409 18415 14718 1 20 . 1 1 12 12 SER C C 12 173.339 173.339 172.410 0.929 18415 14719 1 20 . 1 1 12 12 SER CA C 12 59.795 59.795 58.237 1.558 18415 14720 1 20 . 1 1 12 12 SER CB C 12 62.943 62.943 64.843 -1.900 18415 14721 1 20 . 1 1 12 12 SER H H 12 8.189 8.189 8.157 0.032 18415 14722 1 20 . 1 1 13 13 ASN N N 13 118.336 118.336 118.837 -0.501 18415 14723 1 20 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.048 0.208 18415 14724 1 20 . 1 1 13 13 ASN C C 13 174.330 174.330 173.176 1.154 18415 14725 1 20 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.373 -0.032 18415 14726 1 20 . 1 1 13 13 ASN CB C 13 43.458 43.458 42.751 0.708 18415 14727 1 20 . 1 1 13 13 ASN H H 13 8.242 8.242 7.822 0.420 18415 14728 1 20 . 1 1 14 14 CYS N N 14 118.315 118.315 119.244 -0.929 18415 14729 1 20 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.760 0.101 18415 14730 1 20 . 1 1 14 14 CYS C C 14 174.314 174.314 173.772 0.542 18415 14731 1 20 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.032 -4.347 18415 14732 1 20 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.075 14.944 18415 14733 1 20 . 1 1 14 14 CYS H H 14 8.592 8.592 8.786 -0.194 18415 14734 1 20 . 1 1 15 15 TYR N N 15 121.588 121.588 121.488 0.100 18415 14735 1 20 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.766 0.011 18415 14736 1 20 . 1 1 15 15 TYR C C 15 176.333 176.333 174.574 1.759 18415 14737 1 20 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.268 2.348 18415 14738 1 20 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.269 3.314 18415 14739 1 20 . 1 1 15 15 TYR H H 15 9.947 9.947 9.744 0.203 18415 14740 1 20 . 1 1 16 16 PHE N N 16 121.989 121.989 122.243 -0.254 18415 14741 1 20 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.779 0.132 18415 14742 1 20 . 1 1 16 16 PHE C C 16 172.937 172.937 172.754 0.183 18415 14743 1 20 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.592 -0.194 18415 14744 1 20 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.239 -2.169 18415 14745 1 20 . 1 1 16 16 PHE H H 16 8.717 8.717 9.256 -0.539 18415 14746 1 20 . 1 1 17 17 PRO HA H 17 5.116 5.116 5.013 0.103 18415 14747 1 20 . 1 1 17 17 PRO C C 17 175.445 175.445 175.013 0.432 18415 14748 1 20 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.483 0.005 18415 14749 1 20 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.646 -0.655 18415 14750 1 20 . 1 1 18 18 LEU N N 18 126.062 126.062 124.150 1.912 18415 14751 1 20 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.532 0.149 18415 14752 1 20 . 1 1 18 18 LEU C C 18 177.391 177.391 177.033 0.358 18415 14753 1 20 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.740 1.620 18415 14754 1 20 . 1 1 18 18 LEU CB C 18 45.482 45.482 45.092 0.390 18415 14755 1 20 . 1 1 18 18 LEU H H 18 9.054 9.054 8.945 0.109 18415 14756 1 20 . 1 1 19 19 THR N N 19 109.256 109.256 113.244 -3.988 18415 14757 1 20 . 1 1 19 19 THR HA H 19 4.612 4.612 4.333 0.279 18415 14758 1 20 . 1 1 19 19 THR C C 19 175.613 175.613 174.177 1.436 18415 14759 1 20 . 1 1 19 19 THR CA C 19 62.236 62.236 60.863 1.373 18415 14760 1 20 . 1 1 19 19 THR CB C 19 69.530 69.530 67.274 2.256 18415 14761 1 20 . 1 1 19 19 THR H H 19 8.303 8.303 8.306 -0.003 18415 14762 1 20 . 1 1 20 20 ASP N N 20 121.645 121.645 124.950 -3.305 18415 14763 1 20 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.312 0.145 18415 14764 1 20 . 1 1 20 20 ASP C C 20 174.684 174.684 175.148 -0.464 18415 14765 1 20 . 1 1 20 20 ASP CA C 20 53.118 53.118 54.999 -1.881 18415 14766 1 20 . 1 1 20 20 ASP CB C 20 40.069 40.069 40.838 -0.769 18415 14767 1 20 . 1 1 20 20 ASP H H 20 8.834 8.834 7.720 1.114 18415 14768 1 20 . 1 1 21 21 ASN N N 21 118.648 118.648 115.602 3.046 18415 14769 1 20 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.381 0.265 18415 14770 1 20 . 1 1 21 21 ASN C C 21 176.542 176.542 173.976 2.566 18415 14771 1 20 . 1 1 21 21 ASN CA C 21 53.452 53.452 54.304 -0.852 18415 14772 1 20 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.375 1.078 18415 14773 1 20 . 1 1 21 21 ASN H H 21 8.113 8.113 8.506 -0.393 18415 14774 1 20 . 1 1 22 22 LYS N N 22 122.470 122.470 118.303 4.167 18415 14775 1 20 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.744 0.112 18415 14776 1 20 . 1 1 22 22 LYS C C 22 176.711 176.711 175.436 1.275 18415 14777 1 20 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.273 1.392 18415 14778 1 20 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.318 3.221 18415 14779 1 20 . 1 1 22 22 LYS H H 22 8.794 8.794 7.733 1.061 18415 14780 1 20 . 1 1 23 23 THR N N 23 109.009 109.009 112.910 -3.901 18415 14781 1 20 . 1 1 23 23 THR HA H 23 5.647 5.647 5.275 0.372 18415 14782 1 20 . 1 1 23 23 THR C C 23 178.411 178.411 175.840 2.571 18415 14783 1 20 . 1 1 23 23 THR CA C 23 61.773 61.773 60.218 1.555 18415 14784 1 20 . 1 1 23 23 THR CB C 23 71.820 71.820 70.194 1.626 18415 14785 1 20 . 1 1 23 23 THR H H 23 8.250 8.250 8.427 -0.177 18415 14786 1 20 . 1 1 24 24 TRP N N 24 126.345 126.345 123.675 2.670 18415 14787 1 20 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.682 -0.652 18415 14788 1 20 . 1 1 24 24 TRP C C 24 178.204 178.204 176.931 1.273 18415 14789 1 20 . 1 1 24 24 TRP CA C 24 64.581 64.581 61.821 2.760 18415 14790 1 20 . 1 1 24 24 TRP CB C 24 30.654 30.654 28.932 1.722 18415 14791 1 20 . 1 1 24 24 TRP H H 24 8.279 8.279 7.976 0.303 18415 14792 1 20 . 1 1 25 25 ALA N N 25 119.965 119.965 120.970 -1.005 18415 14793 1 20 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.844 0.104 18415 14794 1 20 . 1 1 25 25 ALA C C 25 182.089 182.089 179.674 2.415 18415 14795 1 20 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.341 0.549 18415 14796 1 20 . 1 1 25 25 ALA CB C 25 18.255 18.255 17.893 0.362 18415 14797 1 20 . 1 1 25 25 ALA H H 25 9.634 9.634 7.713 1.921 18415 14798 1 20 . 1 1 26 26 GLU N N 26 116.492 116.492 118.442 -1.950 18415 14799 1 20 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.940 0.123 18415 14800 1 20 . 1 1 26 26 GLU C C 26 179.756 179.756 179.236 0.520 18415 14801 1 20 . 1 1 26 26 GLU CA C 26 58.295 58.295 59.078 -0.784 18415 14802 1 20 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.056 1.427 18415 14803 1 20 . 1 1 26 26 GLU H H 26 7.392 7.392 8.107 -0.715 18415 14804 1 20 . 1 1 27 27 SER N N 27 121.197 121.197 115.628 5.569 18415 14805 1 20 . 1 1 27 27 SER HA H 27 3.855 3.855 4.073 -0.218 18415 14806 1 20 . 1 1 27 27 SER C C 27 174.299 174.299 176.490 -2.191 18415 14807 1 20 . 1 1 27 27 SER CA C 27 63.344 63.344 62.433 0.911 18415 14808 1 20 . 1 1 27 27 SER CB C 27 62.329 62.329 62.769 -0.440 18415 14809 1 20 . 1 1 27 27 SER H H 27 8.596 8.596 8.416 0.180 18415 14810 1 20 . 1 1 28 28 GLU N N 28 124.173 124.173 120.552 3.621 18415 14811 1 20 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.977 0.291 18415 14812 1 20 . 1 1 28 28 GLU C C 28 178.856 178.856 178.267 0.589 18415 14813 1 20 . 1 1 28 28 GLU CA C 28 58.199 58.199 57.064 1.135 18415 14814 1 20 . 1 1 28 28 GLU CB C 28 26.900 26.900 28.817 -1.917 18415 14815 1 20 . 1 1 28 28 GLU H H 28 8.133 8.133 7.484 0.649 18415 14816 1 20 . 1 1 29 29 ARG N N 29 120.498 120.498 118.837 1.661 18415 14817 1 20 . 1 1 29 29 ARG HA H 29 4.043 4.043 3.986 0.057 18415 14818 1 20 . 1 1 29 29 ARG C C 29 179.339 179.339 178.507 0.832 18415 14819 1 20 . 1 1 29 29 ARG CA C 29 59.691 59.691 59.471 0.220 18415 14820 1 20 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.175 0.060 18415 14821 1 20 . 1 1 29 29 ARG H H 29 7.962 7.962 8.131 -0.169 18415 14822 1 20 . 1 1 30 30 ASN N N 30 119.000 119.000 116.818 2.182 18415 14823 1 20 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.664 -0.217 18415 14824 1 20 . 1 1 30 30 ASN C C 30 178.153 178.153 175.546 2.607 18415 14825 1 20 . 1 1 30 30 ASN CA C 30 57.650 57.650 55.065 2.586 18415 14826 1 20 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.648 0.788 18415 14827 1 20 . 1 1 30 30 ASN H H 30 7.960 7.960 8.118 -0.158 18415 14828 1 20 . 1 1 31 31 CYS N N 31 116.301 116.301 116.582 -0.281 18415 14829 1 20 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.587 -0.106 18415 14830 1 20 . 1 1 31 31 CYS C C 31 178.072 178.072 175.885 2.187 18415 14831 1 20 . 1 1 31 31 CYS CA C 31 56.410 56.410 60.269 -3.859 18415 14832 1 20 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.725 5.984 18415 14833 1 20 . 1 1 31 31 CYS H H 31 8.477 8.477 7.768 0.709 18415 14834 1 20 . 1 1 32 32 SER N N 32 119.834 119.834 115.348 4.486 18415 14835 1 20 . 1 1 32 32 SER HA H 32 4.700 4.700 4.342 0.358 18415 14836 1 20 . 1 1 32 32 SER C C 32 179.062 179.062 176.610 2.452 18415 14837 1 20 . 1 1 32 32 SER CA C 32 61.663 61.663 61.465 0.198 18415 14838 1 20 . 1 1 32 32 SER CB C 32 62.655 62.655 61.672 0.983 18415 14839 1 20 . 1 1 32 32 SER H H 32 9.206 9.206 8.933 0.273 18415 14840 1 20 . 1 1 33 33 GLY N N 33 111.632 111.632 109.761 1.871 18415 14841 1 20 . 1 1 33 33 GLY C C 33 174.861 174.861 175.062 -0.201 18415 14842 1 20 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.212 -0.545 18415 14843 1 20 . 1 1 33 33 GLY H H 33 8.053 8.053 8.463 -0.410 18415 14844 1 20 . 1 1 34 34 MET N N 34 116.998 116.998 119.026 -2.028 18415 14845 1 20 . 1 1 34 34 MET HA H 34 4.596 4.596 4.662 -0.066 18415 14846 1 20 . 1 1 34 34 MET C C 34 175.356 175.356 176.039 -0.683 18415 14847 1 20 . 1 1 34 34 MET CA C 34 54.887 54.887 54.819 0.068 18415 14848 1 20 . 1 1 34 34 MET CB C 34 33.959 33.959 32.966 0.993 18415 14849 1 20 . 1 1 34 34 MET H H 34 7.441 7.441 7.864 -0.423 18415 14850 1 20 . 1 1 35 35 GLY N N 35 106.474 106.474 107.802 -1.328 18415 14851 1 20 . 1 1 35 35 GLY C C 35 173.112 173.112 173.531 -0.419 18415 14852 1 20 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.543 -0.142 18415 14853 1 20 . 1 1 35 35 GLY H H 35 7.807 7.807 7.912 -0.105 18415 14854 1 20 . 1 1 36 36 ALA N N 36 121.833 121.833 121.915 -0.082 18415 14855 1 20 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.515 0.187 18415 14856 1 20 . 1 1 36 36 ALA C C 36 174.285 174.285 175.408 -1.123 18415 14857 1 20 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.998 -1.277 18415 14858 1 20 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.665 2.997 18415 14859 1 20 . 1 1 36 36 ALA H H 36 7.693 7.693 7.584 0.109 18415 14860 1 20 . 1 1 37 37 HIS N N 37 111.683 111.683 114.567 -2.884 18415 14861 1 20 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.222 -0.091 18415 14862 1 20 . 1 1 37 37 HIS C C 37 175.351 175.351 174.760 0.591 18415 14863 1 20 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.372 -0.799 18415 14864 1 20 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.394 0.577 18415 14865 1 20 . 1 1 37 37 HIS H H 37 8.078 8.078 8.801 -0.723 18415 14866 1 20 . 1 1 38 38 LEU N N 38 123.260 123.260 122.154 1.106 18415 14867 1 20 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.384 0.389 18415 14868 1 20 . 1 1 38 38 LEU C C 38 179.180 179.180 177.497 1.683 18415 14869 1 20 . 1 1 38 38 LEU CA C 38 56.366 56.366 56.028 0.338 18415 14870 1 20 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.514 1.142 18415 14871 1 20 . 1 1 38 38 LEU H H 38 9.964 9.964 8.871 1.093 18415 14872 1 20 . 1 1 39 39 MET N N 39 119.511 119.511 124.330 -4.819 18415 14873 1 20 . 1 1 39 39 MET HA H 39 3.855 3.855 4.461 -0.606 18415 14874 1 20 . 1 1 39 39 MET C C 39 174.874 174.874 175.200 -0.326 18415 14875 1 20 . 1 1 39 39 MET CA C 39 58.789 58.789 55.452 3.337 18415 14876 1 20 . 1 1 39 39 MET CB C 39 34.405 34.405 32.676 1.729 18415 14877 1 20 . 1 1 39 39 MET H H 39 8.409 8.409 8.583 -0.174 18415 14878 1 20 . 1 1 40 40 THR N N 40 123.771 123.771 119.580 4.191 18415 14879 1 20 . 1 1 40 40 THR HA H 40 4.013 4.013 4.245 -0.232 18415 14880 1 20 . 1 1 40 40 THR C C 40 172.936 172.936 173.196 -0.260 18415 14881 1 20 . 1 1 40 40 THR CA C 40 59.869 59.869 59.709 0.161 18415 14882 1 20 . 1 1 40 40 THR CB C 40 70.587 70.587 69.165 1.422 18415 14883 1 20 . 1 1 40 40 THR H H 40 6.822 6.822 8.398 -1.576 18415 14884 1 20 . 1 1 41 41 ILE HA H 41 4.249 4.249 3.960 0.289 18415 14885 1 20 . 1 1 41 41 ILE C C 41 174.349 174.349 175.162 -0.813 18415 14886 1 20 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.394 -2.637 18415 14887 1 20 . 1 1 41 41 ILE CB C 41 38.571 38.571 36.601 1.970 18415 14888 1 20 . 1 1 42 42 SER N N 42 122.113 122.113 121.149 0.964 18415 14889 1 20 . 1 1 42 42 SER HA H 42 4.647 4.647 4.576 0.071 18415 14890 1 20 . 1 1 42 42 SER C C 42 174.502 174.502 174.731 -0.229 18415 14891 1 20 . 1 1 42 42 SER CA C 42 59.768 59.768 59.258 0.511 18415 14892 1 20 . 1 1 42 42 SER CB C 42 64.720 64.720 64.707 0.013 18415 14893 1 20 . 1 1 42 42 SER H H 42 9.230 9.230 9.494 -0.264 18415 14894 1 20 . 1 1 43 43 THR N N 43 108.516 108.516 112.077 -3.561 18415 14895 1 20 . 1 1 43 43 THR HA H 43 4.807 4.807 4.771 0.036 18415 14896 1 20 . 1 1 43 43 THR C C 43 173.812 173.812 174.890 -1.078 18415 14897 1 20 . 1 1 43 43 THR CA C 43 59.249 59.249 59.876 -0.627 18415 14898 1 20 . 1 1 43 43 THR CB C 43 73.128 73.128 71.672 1.456 18415 14899 1 20 . 1 1 43 43 THR H H 43 7.559 7.559 7.610 -0.051 18415 14900 1 20 . 1 1 44 44 GLU N N 44 123.057 123.057 124.219 -1.162 18415 14901 1 20 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.051 -0.602 18415 14902 1 20 . 1 1 44 44 GLU C C 44 178.262 178.262 177.816 0.446 18415 14903 1 20 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.326 0.003 18415 14904 1 20 . 1 1 44 44 GLU CB C 44 29.442 29.442 28.990 0.452 18415 14905 1 20 . 1 1 44 44 GLU H H 44 9.377 9.377 9.059 0.318 18415 14906 1 20 . 1 1 45 45 ALA N N 45 119.910 119.910 122.892 -2.982 18415 14907 1 20 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.145 -0.095 18415 14908 1 20 . 1 1 45 45 ALA C C 45 180.096 180.096 179.532 0.564 18415 14909 1 20 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.089 0.091 18415 14910 1 20 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.019 0.248 18415 14911 1 20 . 1 1 45 45 ALA H H 45 8.328 8.328 8.424 -0.096 18415 14912 1 20 . 1 1 46 46 GLU N N 46 118.861 118.861 118.984 -0.123 18415 14913 1 20 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.422 0.190 18415 14914 1 20 . 1 1 46 46 GLU C C 46 177.452 177.452 178.373 -0.921 18415 14915 1 20 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.458 -0.174 18415 14916 1 20 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.380 1.133 18415 14917 1 20 . 1 1 46 46 GLU H H 46 7.852 7.852 7.801 0.051 18415 14918 1 20 . 1 1 47 47 GLN N N 47 119.473 119.473 119.017 0.456 18415 14919 1 20 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.820 -0.133 18415 14920 1 20 . 1 1 47 47 GLN C C 47 176.429 176.429 177.961 -1.532 18415 14921 1 20 . 1 1 47 47 GLN CA C 47 59.908 59.908 59.071 0.838 18415 14922 1 20 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.451 1.526 18415 14923 1 20 . 1 1 47 47 GLN H H 47 7.054 7.054 7.698 -0.644 18415 14924 1 20 . 1 1 48 48 ASN N N 48 115.182 115.182 117.217 -2.035 18415 14925 1 20 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.201 0.012 18415 14926 1 20 . 1 1 48 48 ASN C C 48 176.986 176.986 177.286 -0.300 18415 14927 1 20 . 1 1 48 48 ASN CA C 48 55.029 55.029 56.120 -1.091 18415 14928 1 20 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.415 -0.857 18415 14929 1 20 . 1 1 48 48 ASN H H 48 8.416 8.416 8.260 0.156 18415 14930 1 20 . 1 1 49 49 PHE N N 49 118.413 118.413 116.567 1.846 18415 14931 1 20 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.220 -0.241 18415 14932 1 20 . 1 1 49 49 PHE C C 49 177.254 177.254 177.768 -0.514 18415 14933 1 20 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.924 -0.762 18415 14934 1 20 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.196 -1.113 18415 14935 1 20 . 1 1 49 49 PHE H H 49 7.473 7.473 7.920 -0.447 18415 14936 1 20 . 1 1 50 50 ILE N N 50 117.601 117.601 122.110 -4.509 18415 14937 1 20 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.921 -0.380 18415 14938 1 20 . 1 1 50 50 ILE C C 50 176.891 176.891 176.781 0.110 18415 14939 1 20 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.605 -2.953 18415 14940 1 20 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.038 1.171 18415 14941 1 20 . 1 1 50 50 ILE H H 50 7.020 7.020 7.628 -0.608 18415 14942 1 20 . 1 1 51 51 ILE N N 51 114.824 114.824 115.664 -0.840 18415 14943 1 20 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.955 -0.062 18415 14944 1 20 . 1 1 51 51 ILE C C 51 177.092 177.092 176.656 0.436 18415 14945 1 20 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.992 1.212 18415 14946 1 20 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.203 0.717 18415 14947 1 20 . 1 1 51 51 ILE H H 51 7.216 7.216 7.598 -0.382 18415 14948 1 20 . 1 1 52 52 GLN N N 52 116.767 116.767 118.407 -1.640 18415 14949 1 20 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.910 -0.140 18415 14950 1 20 . 1 1 52 52 GLN C C 52 176.442 176.442 177.683 -1.241 18415 14951 1 20 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.945 -0.675 18415 14952 1 20 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.633 0.387 18415 14953 1 20 . 1 1 52 52 GLN H H 52 6.416 6.416 7.127 -0.711 18415 14954 1 20 . 1 1 53 53 PHE N N 53 115.400 115.400 117.316 -1.916 18415 14955 1 20 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.395 0.182 18415 14956 1 20 . 1 1 53 53 PHE C C 53 174.993 174.993 175.985 -0.992 18415 14957 1 20 . 1 1 53 53 PHE CA C 53 56.895 56.895 59.128 -2.233 18415 14958 1 20 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.947 -0.414 18415 14959 1 20 . 1 1 53 53 PHE H H 53 7.216 7.216 7.371 -0.155 18415 14960 1 20 . 1 1 54 54 LEU N N 54 118.096 118.096 120.293 -2.197 18415 14961 1 20 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.924 0.167 18415 14962 1 20 . 1 1 54 54 LEU C C 54 175.467 175.467 176.308 -0.841 18415 14963 1 20 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.132 -0.561 18415 14964 1 20 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.371 0.336 18415 14965 1 20 . 1 1 54 54 LEU H H 54 6.668 6.668 7.276 -0.608 18415 14966 1 20 . 1 1 55 55 ASP N N 55 123.723 123.723 123.308 0.415 18415 14967 1 20 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.597 0.218 18415 14968 1 20 . 1 1 55 55 ASP C C 55 177.896 177.896 177.093 0.803 18415 14969 1 20 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.914 -1.816 18415 14970 1 20 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.702 -0.040 18415 14971 1 20 . 1 1 55 55 ASP H H 55 8.687 8.687 8.253 0.434 18415 14972 1 20 . 1 1 56 56 ARG N N 56 124.370 124.370 124.272 0.098 18415 14973 1 20 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.294 0.016 18415 14974 1 20 . 1 1 56 56 ARG C C 56 178.201 178.201 176.120 2.081 18415 14975 1 20 . 1 1 56 56 ARG CA C 56 58.958 58.958 56.357 2.601 18415 14976 1 20 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.378 2.200 18415 14977 1 20 . 1 1 56 56 ARG H H 56 8.758 8.758 8.596 0.162 18415 14978 1 20 . 1 1 57 57 ARG N N 57 120.411 120.411 116.386 4.025 18415 14979 1 20 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.413 -0.119 18415 14980 1 20 . 1 1 57 57 ARG C C 57 177.064 177.064 175.829 1.235 18415 14981 1 20 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.091 1.441 18415 14982 1 20 . 1 1 57 57 ARG CB C 57 30.692 30.692 32.309 -1.617 18415 14983 1 20 . 1 1 57 57 ARG H H 57 9.150 9.150 7.934 1.216 18415 14984 1 20 . 1 1 58 58 LEU N N 58 119.445 119.445 122.101 -2.656 18415 14985 1 20 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.474 0.230 18415 14986 1 20 . 1 1 58 58 LEU C C 58 176.450 176.450 176.196 0.254 18415 14987 1 20 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.746 0.533 18415 14988 1 20 . 1 1 58 58 LEU CB C 58 43.258 43.258 42.826 0.432 18415 14989 1 20 . 1 1 58 58 LEU H H 58 8.328 8.328 7.602 0.726 18415 14990 1 20 . 1 1 59 59 SER N N 59 116.536 116.536 114.455 2.081 18415 14991 1 20 . 1 1 59 59 SER HA H 59 5.505 5.505 5.058 0.447 18415 14992 1 20 . 1 1 59 59 SER C C 59 173.263 173.263 173.473 -0.210 18415 14993 1 20 . 1 1 59 59 SER CA C 59 57.199 57.199 57.000 0.199 18415 14994 1 20 . 1 1 59 59 SER CB C 59 65.064 65.064 64.159 0.905 18415 14995 1 20 . 1 1 59 59 SER H H 59 8.470 8.470 8.534 -0.064 18415 14996 1 20 . 1 1 60 60 TYR N N 60 120.274 120.274 124.541 -4.267 18415 14997 1 20 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.818 -0.541 18415 14998 1 20 . 1 1 60 60 TYR C C 60 175.560 175.560 175.733 -0.173 18415 14999 1 20 . 1 1 60 60 TYR CA C 60 56.472 56.472 57.246 -0.774 18415 15000 1 20 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.259 2.248 18415 15001 1 20 . 1 1 60 60 TYR H H 60 8.897 8.897 9.028 -0.131 18415 15002 1 20 . 1 1 61 61 PHE N N 61 123.635 123.635 123.193 0.442 18415 15003 1 20 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.598 0.690 18415 15004 1 20 . 1 1 61 61 PHE C C 61 175.433 175.433 175.576 -0.143 18415 15005 1 20 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.781 0.294 18415 15006 1 20 . 1 1 61 61 PHE CB C 61 40.869 40.869 38.840 2.030 18415 15007 1 20 . 1 1 61 61 PHE H H 61 9.521 9.521 9.171 0.350 18415 15008 1 20 . 1 1 62 62 LEU N N 62 114.382 114.382 123.013 -8.631 18415 15009 1 20 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.927 0.146 18415 15010 1 20 . 1 1 62 62 LEU C C 62 179.521 179.521 178.255 1.266 18415 15011 1 20 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.778 -1.995 18415 15012 1 20 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.094 2.182 18415 15013 1 20 . 1 1 62 62 LEU H H 62 8.394 8.394 9.010 -0.616 18415 15014 1 20 . 1 1 63 63 GLY N N 63 106.675 106.675 110.116 -3.441 18415 15015 1 20 . 1 1 63 63 GLY C C 63 172.404 172.404 173.079 -0.675 18415 15016 1 20 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.849 2.544 18415 15017 1 20 . 1 1 63 63 GLY H H 63 9.253 9.253 9.466 -0.213 18415 15018 1 20 . 1 1 64 64 LEU N N 64 124.754 124.754 122.942 1.812 18415 15019 1 20 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.653 -0.069 18415 15020 1 20 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.382 0.920 18415 15021 1 20 . 1 1 64 64 LEU CB C 64 43.272 43.272 43.382 -0.110 18415 15022 1 20 . 1 1 64 64 LEU H H 64 6.840 6.840 7.949 -1.109 18415 15023 1 20 . 1 1 65 65 ARG N N 65 124.476 124.476 127.020 -2.544 18415 15024 1 20 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.641 0.519 18415 15025 1 20 . 1 1 65 65 ARG C C 65 174.245 174.245 173.990 0.255 18415 15026 1 20 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.241 0.663 18415 15027 1 20 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.194 1.337 18415 15028 1 20 . 1 1 65 65 ARG H H 65 8.218 8.218 9.179 -0.961 18415 15029 1 20 . 1 1 66 66 ASP N N 66 126.754 126.754 126.383 0.371 18415 15030 1 20 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.580 -0.151 18415 15031 1 20 . 1 1 66 66 ASP C C 66 176.516 176.516 173.954 2.562 18415 15032 1 20 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.576 -0.722 18415 15033 1 20 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.922 -3.154 18415 15034 1 20 . 1 1 66 66 ASP H H 66 8.756 8.756 8.496 0.260 18415 15035 1 20 . 1 1 67 67 GLU N N 67 123.390 123.390 127.070 -3.680 18415 15036 1 20 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.418 -0.642 18415 15037 1 20 . 1 1 67 67 GLU C C 67 175.648 175.648 175.972 -0.324 18415 15038 1 20 . 1 1 67 67 GLU CA C 67 58.848 58.848 55.527 3.321 18415 15039 1 20 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.180 0.136 18415 15040 1 20 . 1 1 67 67 GLU H H 67 8.488 8.488 8.560 -0.072 18415 15041 1 20 . 1 1 68 68 ASN N N 68 114.882 114.882 123.849 -8.967 18415 15042 1 20 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.223 0.441 18415 15043 1 20 . 1 1 68 68 ASN C C 68 174.482 174.482 173.841 0.641 18415 15044 1 20 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.059 -1.145 18415 15045 1 20 . 1 1 68 68 ASN CB C 68 39.412 39.412 37.800 1.612 18415 15046 1 20 . 1 1 68 68 ASN H H 68 8.336 8.336 9.064 -0.728 18415 15047 1 20 . 1 1 69 69 ALA N N 69 118.915 118.915 115.963 2.952 18415 15048 1 20 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.154 -0.280 18415 15049 1 20 . 1 1 69 69 ALA C C 69 177.082 177.082 177.361 -0.279 18415 15050 1 20 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.102 0.530 18415 15051 1 20 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.176 -0.005 18415 15052 1 20 . 1 1 69 69 ALA H H 69 7.444 7.444 7.644 -0.200 18415 15053 1 20 . 1 1 70 70 LYS N N 70 117.439 117.439 120.829 -3.390 18415 15054 1 20 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.226 0.092 18415 15055 1 20 . 1 1 70 70 LYS C C 70 177.726 177.726 177.824 -0.098 18415 15056 1 20 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.107 -0.684 18415 15057 1 20 . 1 1 70 70 LYS CB C 70 32.736 32.736 32.923 -0.187 18415 15058 1 20 . 1 1 70 70 LYS H H 70 7.925 7.925 8.509 -0.584 18415 15059 1 20 . 1 1 71 71 GLY C C 71 175.127 175.127 174.393 0.734 18415 15060 1 20 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.381 0.293 18415 15061 1 20 . 1 1 72 72 GLN N N 72 124.084 124.084 119.593 4.491 18415 15062 1 20 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.360 0.031 18415 15063 1 20 . 1 1 72 72 GLN C C 72 174.283 174.283 174.947 -0.664 18415 15064 1 20 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.129 0.028 18415 15065 1 20 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.312 -0.679 18415 15066 1 20 . 1 1 72 72 GLN H H 72 7.749 7.749 7.594 0.155 18415 15067 1 20 . 1 1 73 73 TRP N N 73 121.803 121.803 124.139 -2.336 18415 15068 1 20 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.344 -0.439 18415 15069 1 20 . 1 1 73 73 TRP C C 73 175.776 175.776 176.007 -0.231 18415 15070 1 20 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.961 -1.140 18415 15071 1 20 . 1 1 73 73 TRP CB C 73 28.876 28.876 28.722 0.154 18415 15072 1 20 . 1 1 73 73 TRP H H 73 6.599 6.599 7.906 -1.307 18415 15073 1 20 . 1 1 74 74 ARG N N 74 119.549 119.549 121.778 -2.229 18415 15074 1 20 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.733 -0.027 18415 15075 1 20 . 1 1 74 74 ARG C C 74 176.980 176.980 174.945 2.035 18415 15076 1 20 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.150 0.183 18415 15077 1 20 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.713 -0.090 18415 15078 1 20 . 1 1 74 74 ARG H H 74 8.443 8.443 8.081 0.362 18415 15079 1 20 . 1 1 75 75 TRP N N 75 125.690 125.690 125.542 0.148 18415 15080 1 20 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.587 -0.160 18415 15081 1 20 . 1 1 75 75 TRP C C 75 180.474 180.474 177.079 3.395 18415 15082 1 20 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.282 -1.516 18415 15083 1 20 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.021 1.009 18415 15084 1 20 . 1 1 75 75 TRP H H 75 9.052 9.052 8.608 0.444 18415 15085 1 20 . 1 1 76 76 VAL HA H 76 4.278 4.278 3.843 0.435 18415 15086 1 20 . 1 1 76 76 VAL C C 76 175.431 175.431 177.598 -2.167 18415 15087 1 20 . 1 1 76 76 VAL CA C 76 64.564 64.564 65.803 -1.239 18415 15088 1 20 . 1 1 76 76 VAL CB C 76 32.369 32.369 32.245 0.124 18415 15089 1 20 . 1 1 77 77 ASP N N 77 119.941 119.941 118.367 1.574 18415 15090 1 20 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.520 -0.542 18415 15091 1 20 . 1 1 77 77 ASP C C 77 176.293 176.293 177.151 -0.858 18415 15092 1 20 . 1 1 77 77 ASP CA C 77 52.759 52.759 57.067 -4.308 18415 15093 1 20 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.150 -0.740 18415 15094 1 20 . 1 1 77 77 ASP H H 77 8.004 8.004 8.908 -0.904 18415 15095 1 20 . 1 1 78 78 GLN N N 78 109.962 109.962 115.570 -5.608 18415 15096 1 20 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.390 -0.265 18415 15097 1 20 . 1 1 78 78 GLN C C 78 176.387 176.387 174.792 1.595 18415 15098 1 20 . 1 1 78 78 GLN CA C 78 57.792 57.792 56.196 1.596 18415 15099 1 20 . 1 1 78 78 GLN CB C 78 26.101 26.101 29.519 -3.418 18415 15100 1 20 . 1 1 78 78 GLN H H 78 8.124 8.124 7.867 0.257 18415 15101 1 20 . 1 1 79 79 THR N N 79 121.656 121.656 121.586 0.070 18415 15102 1 20 . 1 1 79 79 THR HA H 79 4.250 4.250 4.302 -0.052 18415 15103 1 20 . 1 1 79 79 THR C C 79 172.901 172.901 172.865 0.036 18415 15104 1 20 . 1 1 79 79 THR CA C 79 63.165 63.165 64.173 -1.008 18415 15105 1 20 . 1 1 79 79 THR CB C 79 69.427 69.427 68.504 0.923 18415 15106 1 20 . 1 1 79 79 THR H H 79 8.172 8.172 8.016 0.156 18415 15107 1 20 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.598 -0.076 18415 15108 1 20 . 1 1 80 80 PRO C C 80 176.940 176.940 176.577 0.363 18415 15109 1 20 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.957 0.731 18415 15110 1 20 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.493 -0.306 18415 15111 1 20 . 1 1 81 81 PHE N N 81 125.403 125.403 121.119 4.284 18415 15112 1 20 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.700 0.209 18415 15113 1 20 . 1 1 81 81 PHE C C 81 174.853 174.853 175.292 -0.439 18415 15114 1 20 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.443 -1.089 18415 15115 1 20 . 1 1 81 81 PHE CB C 81 40.019 40.019 40.173 -0.154 18415 15116 1 20 . 1 1 81 81 PHE H H 81 9.015 9.015 8.722 0.293 18415 15117 1 20 . 1 1 82 82 ASN N N 82 129.264 129.264 125.477 3.787 18415 15118 1 20 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.954 0.101 18415 15119 1 20 . 1 1 82 82 ASN C C 82 173.643 173.643 173.823 -0.180 18415 15120 1 20 . 1 1 82 82 ASN CA C 82 48.803 48.803 51.172 -2.369 18415 15121 1 20 . 1 1 82 82 ASN CB C 82 39.495 39.495 38.943 0.552 18415 15122 1 20 . 1 1 82 82 ASN H H 82 8.985 8.985 8.243 0.742 18415 15123 1 20 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.368 -0.365 18415 15124 1 20 . 1 1 83 83 PRO C C 83 177.123 177.123 177.524 -0.401 18415 15125 1 20 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.797 -1.012 18415 15126 1 20 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.012 0.502 18415 15127 1 20 . 1 1 84 84 ARG N N 84 114.801 114.801 117.278 -2.477 18415 15128 1 20 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.175 0.148 18415 15129 1 20 . 1 1 84 84 ARG C C 84 176.890 176.890 175.979 0.911 18415 15130 1 20 . 1 1 84 84 ARG CA C 84 56.003 56.003 57.000 -0.997 18415 15131 1 20 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.341 -0.183 18415 15132 1 20 . 1 1 84 84 ARG H H 84 7.697 7.697 8.413 -0.716 18415 15133 1 20 . 1 1 85 85 ARG N N 85 123.958 123.958 119.552 4.406 18415 15134 1 20 . 1 1 85 85 ARG HA H 85 4.305 4.305 4.056 0.249 18415 15135 1 20 . 1 1 85 85 ARG C C 85 173.017 173.017 173.667 -0.650 18415 15136 1 20 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.744 -0.935 18415 15137 1 20 . 1 1 85 85 ARG CB C 85 30.040 30.040 30.875 -0.835 18415 15138 1 20 . 1 1 85 85 ARG H H 85 7.596 7.596 7.278 0.318 18415 15139 1 20 . 1 1 86 86 VAL N N 86 110.039 110.039 119.843 -9.804 18415 15140 1 20 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.187 0.612 18415 15141 1 20 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.299 -2.033 18415 15142 1 20 . 1 1 86 86 VAL CB C 86 34.226 34.226 33.126 1.100 18415 15143 1 20 . 1 1 86 86 VAL H H 86 6.570 6.570 7.324 -0.754 18415 15144 1 20 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.445 -0.123 18415 15145 1 20 . 1 1 87 87 PHE C C 87 173.471 173.471 174.180 -0.709 18415 15146 1 20 . 1 1 87 87 PHE CA C 87 55.377 55.377 55.262 0.115 18415 15147 1 20 . 1 1 87 87 PHE CB C 87 37.384 37.384 38.232 -0.848 18415 15148 1 20 . 1 1 88 88 TRP N N 88 118.538 118.538 121.233 -2.695 18415 15149 1 20 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.674 0.128 18415 15150 1 20 . 1 1 88 88 TRP C C 88 179.297 179.297 176.903 2.394 18415 15151 1 20 . 1 1 88 88 TRP CA C 88 57.237 57.237 56.712 0.526 18415 15152 1 20 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.912 0.638 18415 15153 1 20 . 1 1 88 88 TRP H H 88 6.633 6.633 7.713 -1.080 18415 15154 1 20 . 1 1 89 89 HIS N N 89 122.693 122.693 120.895 1.798 18415 15155 1 20 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.794 -0.423 18415 15156 1 20 . 1 1 89 89 HIS C C 89 175.621 175.621 174.756 0.865 18415 15157 1 20 . 1 1 89 89 HIS CA C 89 58.121 58.121 56.058 2.063 18415 15158 1 20 . 1 1 89 89 HIS CB C 89 32.712 32.712 30.142 2.570 18415 15159 1 20 . 1 1 89 89 HIS H H 89 9.473 9.473 9.350 0.123 18415 15160 1 20 . 1 1 90 90 LYS N N 90 120.826 120.826 128.042 -7.216 18415 15161 1 20 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.200 -0.089 18415 15162 1 20 . 1 1 90 90 LYS C C 90 177.228 177.228 176.184 1.044 18415 15163 1 20 . 1 1 90 90 LYS CA C 90 58.242 58.242 58.105 0.138 18415 15164 1 20 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.772 -0.290 18415 15165 1 20 . 1 1 90 90 LYS H H 90 8.741 8.741 8.701 0.040 18415 15166 1 20 . 1 1 91 91 ASN N N 91 117.166 117.166 117.338 -0.172 18415 15167 1 20 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.431 -0.115 18415 15168 1 20 . 1 1 91 91 ASN C C 91 173.391 173.391 173.923 -0.532 18415 15169 1 20 . 1 1 91 91 ASN CA C 91 55.335 55.335 54.556 0.778 18415 15170 1 20 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.160 -0.775 18415 15171 1 20 . 1 1 91 91 ASN H H 91 8.906 8.906 8.730 0.176 18415 15172 1 20 . 1 1 92 92 GLU N N 92 116.991 116.991 118.630 -1.639 18415 15173 1 20 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.669 -0.382 18415 15174 1 20 . 1 1 92 92 GLU C C 92 173.188 173.188 174.240 -1.052 18415 15175 1 20 . 1 1 92 92 GLU CA C 92 53.271 53.271 53.439 -0.168 18415 15176 1 20 . 1 1 92 92 GLU CB C 92 30.454 30.454 31.525 -1.071 18415 15177 1 20 . 1 1 92 92 GLU H H 92 7.738 7.738 7.813 -0.075 18415 15178 1 20 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.924 -0.280 18415 15179 1 20 . 1 1 95 95 ASN C C 95 175.699 175.699 174.280 1.419 18415 15180 1 20 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.902 -0.443 18415 15181 1 20 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.980 -1.255 18415 15182 1 20 . 1 1 96 96 SER N N 96 116.489 116.489 120.523 -4.034 18415 15183 1 20 . 1 1 96 96 SER HA H 96 4.405 4.405 4.441 -0.036 18415 15184 1 20 . 1 1 96 96 SER C C 96 174.831 174.831 174.137 0.694 18415 15185 1 20 . 1 1 96 96 SER CA C 96 58.753 58.753 58.700 0.053 18415 15186 1 20 . 1 1 96 96 SER CB C 96 64.216 64.216 63.389 0.827 18415 15187 1 20 . 1 1 96 96 SER H H 96 8.118 8.118 9.102 -0.984 18415 15188 1 20 . 1 1 97 97 GLN N N 97 121.023 121.023 114.055 6.968 18415 15189 1 20 . 1 1 97 97 GLN HA H 97 4.252 4.252 3.889 0.363 18415 15190 1 20 . 1 1 97 97 GLN C C 97 176.063 176.063 174.627 1.436 18415 15191 1 20 . 1 1 97 97 GLN CA C 97 55.957 55.957 56.871 -0.914 18415 15192 1 20 . 1 1 97 97 GLN CB C 97 29.528 29.528 26.382 3.146 18415 15193 1 20 . 1 1 97 97 GLN H H 97 8.371 8.371 8.138 0.233 18415 15194 1 20 . 1 1 98 98 GLY N N 98 110.498 110.498 107.803 2.695 18415 15195 1 20 . 1 1 98 98 GLY C C 98 172.460 172.460 172.629 -0.169 18415 15196 1 20 . 1 1 98 98 GLY CA C 98 44.936 44.936 44.305 0.631 18415 15197 1 20 . 1 1 98 98 GLY H H 98 8.080 8.080 7.985 0.095 18415 15198 1 20 . 1 1 99 99 GLU N N 99 119.919 119.919 121.426 -1.507 18415 15199 1 20 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.556 -0.285 18415 15200 1 20 . 1 1 99 99 GLU C C 99 176.605 176.605 175.497 1.108 18415 15201 1 20 . 1 1 99 99 GLU CA C 99 56.508 56.508 55.243 1.265 18415 15202 1 20 . 1 1 99 99 GLU CB C 99 29.469 29.469 27.696 1.773 18415 15203 1 20 . 1 1 99 99 GLU H H 99 8.004 8.004 8.523 -0.519 18415 15204 1 20 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.284 -0.004 18415 15205 1 20 . 1 1 100 100 ASN CA C 100 53.381 53.381 51.399 1.982 18415 15206 1 20 . 1 1 100 100 ASN CB C 100 41.917 41.917 42.045 -0.128 18415 15207 1 20 . 1 1 101 101 CYS N N 101 121.118 121.118 113.262 7.856 18415 15208 1 20 . 1 1 101 101 CYS HA H 101 5.490 5.490 5.475 0.015 18415 15209 1 20 . 1 1 101 101 CYS CA C 101 59.338 59.338 57.102 2.236 18415 15210 1 20 . 1 1 101 101 CYS CB C 101 43.778 43.778 30.851 12.927 18415 15211 1 20 . 1 1 101 101 CYS H H 101 9.707 9.707 9.113 0.594 18415 15212 1 20 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.085 0.101 18415 15213 1 20 . 1 1 102 102 VAL C C 102 175.530 175.530 175.398 0.132 18415 15214 1 20 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.619 2.414 18415 15215 1 20 . 1 1 102 102 VAL CB C 102 35.154 35.154 32.928 2.226 18415 15216 1 20 . 1 1 103 103 VAL N N 103 115.890 115.890 118.012 -2.122 18415 15217 1 20 . 1 1 103 103 VAL HA H 103 5.348 5.348 5.186 0.162 18415 15218 1 20 . 1 1 103 103 VAL C C 103 175.136 175.136 174.956 0.180 18415 15219 1 20 . 1 1 103 103 VAL CA C 103 57.737 57.737 58.752 -1.014 18415 15220 1 20 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.019 0.115 18415 15221 1 20 . 1 1 103 103 VAL H H 103 8.698 8.698 8.960 -0.262 18415 15222 1 20 . 1 1 104 104 LEU N N 104 124.477 124.477 124.977 -0.500 18415 15223 1 20 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.039 -0.063 18415 15224 1 20 . 1 1 104 104 LEU C C 104 176.248 176.248 176.139 0.109 18415 15225 1 20 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.988 0.005 18415 15226 1 20 . 1 1 104 104 LEU CB C 104 44.842 44.842 41.591 3.251 18415 15227 1 20 . 1 1 104 104 LEU H H 104 9.453 9.453 9.151 0.302 18415 15228 1 20 . 1 1 105 105 VAL N N 105 123.109 123.109 125.581 -2.472 18415 15229 1 20 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.981 0.034 18415 15230 1 20 . 1 1 105 105 VAL C C 105 173.635 173.635 173.837 -0.202 18415 15231 1 20 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.214 2.019 18415 15232 1 20 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.182 0.452 18415 15233 1 20 . 1 1 105 105 VAL H H 105 9.477 9.477 8.834 0.643 18415 15234 1 20 . 1 1 106 106 TYR N N 106 136.491 136.491 129.612 6.879 18415 15235 1 20 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.635 -0.170 18415 15236 1 20 . 1 1 106 106 TYR C C 106 175.009 175.009 173.728 1.281 18415 15237 1 20 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.344 -0.295 18415 15238 1 20 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.378 0.573 18415 15239 1 20 . 1 1 106 106 TYR H H 106 9.509 9.509 8.333 1.176 18415 15240 1 20 . 1 1 107 107 ASN N N 107 124.433 124.433 123.703 0.730 18415 15241 1 20 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.905 -0.355 18415 15242 1 20 . 1 1 107 107 ASN C C 107 173.919 173.919 174.783 -0.864 18415 15243 1 20 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.249 0.360 18415 15244 1 20 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.328 -0.318 18415 15245 1 20 . 1 1 107 107 ASN H H 107 8.329 8.329 8.229 0.100 18415 15246 1 20 . 1 1 108 108 GLN N N 108 119.681 119.681 122.940 -3.259 18415 15247 1 20 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.964 -0.310 18415 15248 1 20 . 1 1 108 108 GLN C C 108 175.060 175.060 174.668 0.392 18415 15249 1 20 . 1 1 108 108 GLN CA C 108 57.606 57.606 57.153 0.453 18415 15250 1 20 . 1 1 108 108 GLN CB C 108 26.264 26.264 26.862 -0.598 18415 15251 1 20 . 1 1 108 108 GLN H H 108 8.558 8.558 8.850 -0.292 18415 15252 1 20 . 1 1 109 109 ASP N N 109 109.712 109.712 113.696 -3.984 18415 15253 1 20 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.762 0.215 18415 15254 1 20 . 1 1 109 109 ASP C C 109 174.354 174.354 174.274 0.080 18415 15255 1 20 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.070 0.129 18415 15256 1 20 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.431 -0.405 18415 15257 1 20 . 1 1 109 109 ASP H H 109 8.199 8.199 8.434 -0.235 18415 15258 1 20 . 1 1 110 110 LYS N N 110 115.590 115.590 114.073 1.517 18415 15259 1 20 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.436 0.116 18415 15260 1 20 . 1 1 110 110 LYS C C 110 174.674 174.674 174.655 0.019 18415 15261 1 20 . 1 1 110 110 LYS CA C 110 55.469 55.469 53.974 1.495 18415 15262 1 20 . 1 1 110 110 LYS CB C 110 35.589 35.589 35.170 0.419 18415 15263 1 20 . 1 1 110 110 LYS H H 110 7.081 7.081 6.974 0.107 18415 15264 1 20 . 1 1 111 111 TRP N N 111 122.248 122.248 122.896 -0.648 18415 15265 1 20 . 1 1 111 111 TRP HA H 111 5.073 5.073 4.992 0.081 18415 15266 1 20 . 1 1 111 111 TRP C C 111 175.920 175.920 176.252 -0.332 18415 15267 1 20 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.394 -0.205 18415 15268 1 20 . 1 1 111 111 TRP CB C 111 30.869 30.869 29.667 1.202 18415 15269 1 20 . 1 1 111 111 TRP H H 111 8.650 8.650 8.492 0.158 18415 15270 1 20 . 1 1 112 112 ALA N N 112 124.184 124.184 125.676 -1.492 18415 15271 1 20 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.578 -0.410 18415 15272 1 20 . 1 1 112 112 ALA C C 112 174.995 174.995 175.592 -0.597 18415 15273 1 20 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.188 1.127 18415 15274 1 20 . 1 1 112 112 ALA CB C 112 16.882 16.882 22.183 -5.301 18415 15275 1 20 . 1 1 112 112 ALA H H 112 8.790 8.790 8.940 -0.150 18415 15276 1 20 . 1 1 113 113 TRP N N 113 118.725 118.725 120.563 -1.838 18415 15277 1 20 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.475 0.681 18415 15278 1 20 . 1 1 113 113 TRP C C 113 177.471 177.471 176.315 1.156 18415 15279 1 20 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.600 0.015 18415 15280 1 20 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.401 2.973 18415 15281 1 20 . 1 1 113 113 TRP H H 113 8.969 8.969 8.706 0.263 18415 15282 1 20 . 1 1 114 114 ASN N N 114 120.479 120.479 121.214 -0.735 18415 15283 1 20 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.697 -0.207 18415 15284 1 20 . 1 1 114 114 ASN C C 114 174.708 174.708 174.126 0.582 18415 15285 1 20 . 1 1 114 114 ASN CA C 114 51.758 51.758 51.918 -0.160 18415 15286 1 20 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.161 -0.143 18415 15287 1 20 . 1 1 114 114 ASN H H 114 9.518 9.518 9.094 0.424 18415 15288 1 20 . 1 1 115 115 ASP N N 115 118.209 118.209 127.746 -9.537 18415 15289 1 20 . 1 1 115 115 ASP HA H 115 5.871 5.871 5.135 0.736 18415 15290 1 20 . 1 1 115 115 ASP C C 115 174.291 174.291 175.750 -1.459 18415 15291 1 20 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.550 -2.362 18415 15292 1 20 . 1 1 115 115 ASP CB C 115 40.504 40.504 42.110 -1.606 18415 15293 1 20 . 1 1 115 115 ASP H H 115 8.563 8.563 9.153 -0.590 18415 15294 1 20 . 1 1 116 116 VAL N N 116 118.669 118.669 119.755 -1.086 18415 15295 1 20 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.783 0.112 18415 15296 1 20 . 1 1 116 116 VAL C C 116 172.334 172.334 173.529 -1.195 18415 15297 1 20 . 1 1 116 116 VAL CA C 116 58.281 58.281 57.764 0.517 18415 15298 1 20 . 1 1 116 116 VAL CB C 116 34.333 34.333 33.791 0.541 18415 15299 1 20 . 1 1 116 116 VAL H H 116 9.369 9.369 9.129 0.240 18415 15300 1 20 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.506 0.428 18415 15301 1 20 . 1 1 117 117 PRO CA C 117 63.076 63.076 63.036 0.040 18415 15302 1 20 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.736 0.623 18415 15303 1 20 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.338 0.112 18415 15304 1 20 . 1 1 118 118 CYS C C 118 175.583 175.583 175.664 -0.081 18415 15305 1 20 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.757 -1.853 18415 15306 1 20 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.280 17.561 18415 15307 1 20 . 1 1 119 119 ASN N N 119 117.251 117.251 116.111 1.140 18415 15308 1 20 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.724 0.189 18415 15309 1 20 . 1 1 119 119 ASN C C 119 174.849 174.849 174.763 0.086 18415 15310 1 20 . 1 1 119 119 ASN CA C 119 53.142 53.142 52.915 0.227 18415 15311 1 20 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.491 -1.415 18415 15312 1 20 . 1 1 119 119 ASN H H 119 8.411 8.411 8.312 0.099 18415 15313 1 20 . 1 1 120 120 PHE N N 120 123.415 123.415 122.392 1.023 18415 15314 1 20 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.686 -0.140 18415 15315 1 20 . 1 1 120 120 PHE C C 120 173.156 173.156 174.472 -1.316 18415 15316 1 20 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.609 0.751 18415 15317 1 20 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.066 -0.617 18415 15318 1 20 . 1 1 120 120 PHE H H 120 8.097 8.097 8.038 0.059 18415 15319 1 20 . 1 1 121 121 GLU N N 121 119.143 119.143 125.803 -6.660 18415 15320 1 20 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.330 0.223 18415 15321 1 20 . 1 1 121 121 GLU C C 121 174.732 174.732 174.964 -0.232 18415 15322 1 20 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.673 -2.085 18415 15323 1 20 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.687 0.733 18415 15324 1 20 . 1 1 121 121 GLU H H 121 7.012 7.012 8.311 -1.299 18415 15325 1 20 . 1 1 122 122 ALA N N 122 125.793 125.793 127.431 -1.638 18415 15326 1 20 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.985 -0.514 18415 15327 1 20 . 1 1 122 122 ALA C C 122 177.616 177.616 175.777 1.839 18415 15328 1 20 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.875 0.368 18415 15329 1 20 . 1 1 122 122 ALA CB C 122 20.602 20.602 22.161 -1.559 18415 15330 1 20 . 1 1 122 122 ALA H H 122 8.441 8.441 9.179 -0.738 18415 15331 1 20 . 1 1 123 123 SER N N 123 115.420 115.420 114.900 0.520 18415 15332 1 20 . 1 1 123 123 SER HA H 123 4.522 4.522 5.216 -0.694 18415 15333 1 20 . 1 1 123 123 SER C C 123 172.514 172.514 173.930 -1.416 18415 15334 1 20 . 1 1 123 123 SER CA C 123 60.661 60.661 57.056 3.605 18415 15335 1 20 . 1 1 123 123 SER CB C 123 62.943 62.943 63.586 -0.643 18415 15336 1 20 . 1 1 123 123 SER H H 123 7.716 7.716 8.202 -0.486 18415 15337 1 20 . 1 1 124 124 ARG N N 124 112.529 112.529 116.332 -3.803 18415 15338 1 20 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.094 0.396 18415 15339 1 20 . 1 1 124 124 ARG C C 124 173.779 173.779 174.214 -0.435 18415 15340 1 20 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.630 0.309 18415 15341 1 20 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.928 -2.003 18415 15342 1 20 . 1 1 124 124 ARG H H 124 8.840 8.840 8.484 0.356 18415 15343 1 20 . 1 1 125 125 ILE N N 125 116.525 116.525 119.933 -3.408 18415 15344 1 20 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.859 -0.141 18415 15345 1 20 . 1 1 125 125 ILE C C 125 175.656 175.656 174.427 1.229 18415 15346 1 20 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.546 1.290 18415 15347 1 20 . 1 1 125 125 ILE CB C 125 41.558 41.558 41.165 0.393 18415 15348 1 20 . 1 1 125 125 ILE H H 125 6.989 6.989 8.197 -1.208 18415 15349 1 20 . 1 1 126 126 CYS N N 126 123.910 123.910 127.979 -4.069 18415 15350 1 20 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.026 0.544 18415 15351 1 20 . 1 1 126 126 CYS C C 126 173.662 173.662 173.060 0.602 18415 15352 1 20 . 1 1 126 126 CYS CA C 126 51.840 51.840 56.944 -5.104 18415 15353 1 20 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.254 9.887 18415 15354 1 20 . 1 1 126 126 CYS H H 126 8.288 8.288 9.129 -0.841 18415 15355 1 20 . 1 1 127 127 LYS N N 127 124.170 124.170 129.423 -5.253 18415 15356 1 20 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.381 0.238 18415 15357 1 20 . 1 1 127 127 LYS C C 127 174.637 174.637 174.726 -0.089 18415 15358 1 20 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.820 0.415 18415 15359 1 20 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.855 2.663 18415 15360 1 20 . 1 1 127 127 LYS H H 127 9.681 9.681 9.367 0.314 18415 15361 1 20 . 1 1 128 128 ILE N N 128 129.226 129.226 126.208 3.018 18415 15362 1 20 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.750 0.150 18415 15363 1 20 . 1 1 128 128 ILE C C 128 172.463 172.463 172.908 -0.445 18415 15364 1 20 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.128 1.256 18415 15365 1 20 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.919 1.969 18415 15366 1 20 . 1 1 128 128 ILE H H 128 9.205 9.205 9.280 -0.075 18415 15367 1 20 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.470 0.521 18415 15368 1 20 . 1 1 129 129 PRO C C 129 177.954 177.954 177.256 0.698 18415 15369 1 20 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.486 0.138 18415 15370 1 20 . 1 1 129 129 PRO CB C 129 32.501 32.501 31.956 0.545 18415 15371 1 20 . 1 1 130 130 GLY N N 130 110.745 110.745 110.694 0.051 18415 15372 1 20 . 1 1 130 130 GLY C C 130 175.022 175.022 174.349 0.673 18415 15373 1 20 . 1 1 130 130 GLY CA C 130 46.256 46.256 44.958 1.298 18415 15374 1 20 . 1 1 130 130 GLY H H 130 8.673 8.673 8.428 0.245 18415 15375 1 20 . 1 1 131 131 THR N N 131 112.246 112.246 115.755 -3.509 18415 15376 1 20 . 1 1 131 131 THR HA H 131 4.427 4.427 4.288 0.139 18415 15377 1 20 . 1 1 131 131 THR C C 131 175.259 175.259 175.061 0.198 18415 15378 1 20 . 1 1 131 131 THR CA C 131 61.500 61.500 61.601 -0.101 18415 15379 1 20 . 1 1 131 131 THR CB C 131 69.998 69.998 68.511 1.487 18415 15380 1 20 . 1 1 131 131 THR H H 131 7.870 7.870 8.009 -0.139 18415 15381 1 20 . 1 1 132 132 THR N N 132 116.455 116.455 115.977 0.478 18415 15382 1 20 . 1 1 132 132 THR HA H 132 4.281 4.281 4.070 0.211 18415 15383 1 20 . 1 1 132 132 THR C C 132 174.867 174.867 175.467 -0.600 18415 15384 1 20 . 1 1 132 132 THR CA C 132 62.453 62.453 64.352 -1.899 18415 15385 1 20 . 1 1 132 132 THR CB C 132 69.868 69.868 68.058 1.810 18415 15386 1 20 . 1 1 132 132 THR H H 132 8.120 8.120 8.092 0.028 18415 15387 1 20 . 1 1 133 133 LEU N N 133 124.001 124.001 117.862 6.139 18415 15388 1 20 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.321 -0.059 18415 15389 1 20 . 1 1 133 133 LEU C C 133 177.365 177.365 178.069 -0.704 18415 15390 1 20 . 1 1 133 133 LEU CA C 133 55.747 55.747 57.504 -1.757 18415 15391 1 20 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.589 0.733 18415 15392 1 20 . 1 1 133 133 LEU H H 133 8.117 8.117 7.547 0.570 18415 15393 1 20 . 1 1 134 134 ASN N N 134 119.222 119.222 117.734 1.488 18415 15394 1 20 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.654 -0.033 18415 15395 1 20 . 1 1 134 134 ASN C C 134 175.725 175.725 176.870 -1.145 18415 15396 1 20 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.081 -1.456 18415 15397 1 20 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.920 -1.084 18415 15398 1 20 . 1 1 134 134 ASN H H 134 8.325 8.325 7.639 0.686 18415 15399 1 20 . 1 1 135 135 ALA N N 135 123.649 123.649 122.193 1.456 18415 15400 1 20 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.463 -0.334 18415 15401 1 20 . 1 1 135 135 ALA C C 135 179.061 179.061 178.182 0.879 18415 15402 1 20 . 1 1 135 135 ALA CA C 135 53.932 53.932 52.205 1.727 18415 15403 1 20 . 1 1 135 135 ALA CB C 135 18.939 18.939 18.390 0.549 18415 15404 1 20 . 1 1 135 135 ALA H H 135 8.205 8.205 8.270 -0.065 18415 15405 1 20 . 1 1 136 136 GLU N N 136 119.187 119.187 120.221 -1.034 18415 15406 1 20 . 1 1 136 136 GLU HA H 136 4.205 4.205 3.934 0.271 18415 15407 1 20 . 1 1 136 136 GLU C C 136 177.504 177.504 178.222 -0.718 18415 15408 1 20 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.530 -1.651 18415 15409 1 20 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.706 0.940 18415 15410 1 20 . 1 1 136 136 GLU H H 136 8.349 8.349 8.626 -0.277 18415 15411 1 20 . 1 1 137 137 ASN N N 137 118.988 118.988 117.692 1.296 18415 15412 1 20 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.636 0.001 18415 15413 1 20 . 1 1 137 137 ASN C C 137 176.785 176.785 177.542 -0.757 18415 15414 1 20 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.464 -0.990 18415 15415 1 20 . 1 1 137 137 ASN CB C 137 38.709 38.709 37.883 0.826 18415 15416 1 20 . 1 1 137 137 ASN H H 137 8.259 8.259 8.400 -0.141 18415 15417 1 20 . 1 1 138 138 LEU N N 138 121.438 121.438 122.297 -0.859 18415 15418 1 20 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.055 0.080 18415 15419 1 20 . 1 1 138 138 LEU C C 138 178.872 178.872 178.346 0.526 18415 15420 1 20 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.846 -0.919 18415 15421 1 20 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.114 0.887 18415 15422 1 20 . 1 1 138 138 LEU H H 138 8.084 8.084 7.637 0.447 18415 15423 1 20 . 1 1 139 139 TYR N N 139 120.558 120.558 118.428 2.130 18415 15424 1 20 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.198 0.088 18415 15425 1 20 . 1 1 139 139 TYR C C 139 177.587 177.587 177.666 -0.079 18415 15426 1 20 . 1 1 139 139 TYR CA C 139 60.145 60.145 61.122 -0.977 18415 15427 1 20 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.732 -0.366 18415 15428 1 20 . 1 1 139 139 TYR H H 139 8.130 8.130 8.279 -0.149 18415 15429 1 20 . 1 1 140 140 PHE N N 140 120.508 120.508 119.442 1.066 18415 15430 1 20 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.364 -0.009 18415 15431 1 20 . 1 1 140 140 PHE C C 140 177.425 177.425 176.765 0.660 18415 15432 1 20 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.387 -0.757 18415 15433 1 20 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.389 -0.138 18415 15434 1 20 . 1 1 140 140 PHE H H 140 8.275 8.275 7.815 0.460 18415 15435 1 20 . 1 1 141 141 GLN N N 141 119.274 119.274 117.861 1.413 18415 15436 1 20 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.100 0.013 18415 15437 1 20 . 1 1 141 141 GLN C C 141 176.976 176.976 175.963 1.013 18415 15438 1 20 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.675 0.688 18415 15439 1 20 . 1 1 141 141 GLN CB C 141 29.028 29.028 28.849 0.179 18415 15440 1 20 . 1 1 141 141 GLN H H 141 8.250 8.250 7.920 0.331 18415 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 122 3.278 0.710 3.213 18415 2 1 1 "Average Difference" HA 143 0.343 -0.046 0.341 18415 3 1 1 "Average Difference" C 131 1.120 -0.251 1.095 18415 4 1 1 "Average Difference" CA 136 1.498 0.037 1.503 18415 5 1 1 "Average Difference" CB 130 3.034 -0.921 2.901 18415 6 1 1 "Average Difference" HN 122 0.566 0.003 0.568 18415 7 1 2 "Average Difference" N 122 3.217 0.514 3.188 18415 8 1 2 "Average Difference" HA 143 0.365 -0.039 0.364 18415 9 1 2 "Average Difference" C 131 1.130 -0.127 1.127 18415 10 1 2 "Average Difference" CA 136 1.568 0.175 1.564 18415 11 1 2 "Average Difference" CB 130 3.120 -0.996 2.968 18415 12 1 2 "Average Difference" HN 122 0.580 0.003 0.582 18415 13 1 3 "Average Difference" N 122 3.426 0.725 3.362 18415 14 1 3 "Average Difference" HA 143 0.368 -0.046 0.366 18415 15 1 3 "Average Difference" C 131 1.125 -0.207 1.110 18415 16 1 3 "Average Difference" CA 136 1.634 0.133 1.634 18415 17 1 3 "Average Difference" CB 130 3.069 -0.897 2.946 18415 18 1 3 "Average Difference" HN 122 0.617 0.029 0.619 18415 19 1 4 "Average Difference" N 122 3.433 0.686 3.377 18415 20 1 4 "Average Difference" HA 143 0.350 -0.050 0.347 18415 21 1 4 "Average Difference" C 131 1.120 -0.198 1.107 18415 22 1 4 "Average Difference" CA 136 1.551 0.107 1.553 18415 23 1 4 "Average Difference" CB 130 3.031 -0.999 2.872 18415 24 1 4 "Average Difference" HN 122 0.582 -0.017 0.584 18415 25 1 5 "Average Difference" N 122 3.350 0.659 3.299 18415 26 1 5 "Average Difference" HA 143 0.336 -0.041 0.335 18415 27 1 5 "Average Difference" C 131 1.074 -0.266 1.045 18415 28 1 5 "Average Difference" CA 136 1.580 0.040 1.586 18415 29 1 5 "Average Difference" CB 130 3.104 -0.852 2.997 18415 30 1 5 "Average Difference" HN 122 0.558 0.048 0.558 18415 31 1 6 "Average Difference" N 122 3.623 0.606 3.587 18415 32 1 6 "Average Difference" HA 143 0.351 -0.016 0.352 18415 33 1 6 "Average Difference" C 131 1.099 -0.185 1.088 18415 34 1 6 "Average Difference" CA 136 1.603 0.102 1.606 18415 35 1 6 "Average Difference" CB 130 3.132 -0.932 3.002 18415 36 1 6 "Average Difference" HN 122 0.603 0.059 0.602 18415 37 1 7 "Average Difference" N 122 3.399 0.560 3.367 18415 38 1 7 "Average Difference" HA 143 0.368 -0.049 0.366 18415 39 1 7 "Average Difference" C 131 1.116 -0.175 1.106 18415 40 1 7 "Average Difference" CA 136 1.599 0.163 1.597 18415 41 1 7 "Average Difference" CB 130 3.067 -1.005 2.909 18415 42 1 7 "Average Difference" HN 122 0.551 0.007 0.554 18415 43 1 8 "Average Difference" N 122 3.411 0.562 3.378 18415 44 1 8 "Average Difference" HA 143 0.360 -0.023 0.361 18415 45 1 8 "Average Difference" C 131 1.162 -0.228 1.144 18415 46 1 8 "Average Difference" CA 136 1.534 0.096 1.537 18415 47 1 8 "Average Difference" CB 130 3.030 -0.912 2.901 18415 48 1 8 "Average Difference" HN 122 0.588 0.001 0.591 18415 49 1 9 "Average Difference" N 122 3.493 0.493 3.473 18415 50 1 9 "Average Difference" HA 143 0.336 -0.051 0.333 18415 51 1 9 "Average Difference" C 131 1.199 -0.210 1.185 18415 52 1 9 "Average Difference" CA 136 1.578 0.157 1.576 18415 53 1 9 "Average Difference" CB 130 3.077 -0.923 2.947 18415 54 1 9 "Average Difference" HN 122 0.548 -0.004 0.550 18415 55 1 10 "Average Difference" N 122 3.486 0.848 3.396 18415 56 1 10 "Average Difference" HA 143 0.351 -0.040 0.350 18415 57 1 10 "Average Difference" C 131 1.134 -0.203 1.120 18415 58 1 10 "Average Difference" CA 136 1.499 0.154 1.497 18415 59 1 10 "Average Difference" CB 130 3.215 -0.930 3.090 18415 60 1 10 "Average Difference" HN 122 0.582 0.007 0.584 18415 61 1 11 "Average Difference" N 122 3.380 0.876 3.278 18415 62 1 11 "Average Difference" HA 143 0.357 -0.042 0.355 18415 63 1 11 "Average Difference" C 131 1.127 -0.205 1.113 18415 64 1 11 "Average Difference" CA 136 1.585 0.110 1.587 18415 65 1 11 "Average Difference" CB 130 2.941 -0.817 2.836 18415 66 1 11 "Average Difference" HN 122 0.614 0.039 0.615 18415 67 1 12 "Average Difference" N 122 3.270 0.536 3.239 18415 68 1 12 "Average Difference" HA 143 0.343 -0.045 0.341 18415 69 1 12 "Average Difference" C 131 1.087 -0.286 1.053 18415 70 1 12 "Average Difference" CA 136 1.423 0.044 1.428 18415 71 1 12 "Average Difference" CB 130 2.989 -0.846 2.878 18415 72 1 12 "Average Difference" HN 122 0.610 0.011 0.613 18415 73 1 13 "Average Difference" N 122 3.400 0.705 3.340 18415 74 1 13 "Average Difference" HA 143 0.374 -0.030 0.374 18415 75 1 13 "Average Difference" C 131 1.142 -0.243 1.120 18415 76 1 13 "Average Difference" CA 136 1.481 0.039 1.486 18415 77 1 13 "Average Difference" CB 130 3.444 -0.933 3.328 18415 78 1 13 "Average Difference" HN 122 0.611 -0.016 0.613 18415 79 1 14 "Average Difference" N 122 3.515 0.578 3.481 18415 80 1 14 "Average Difference" HA 143 0.349 -0.021 0.349 18415 81 1 14 "Average Difference" C 131 1.117 -0.272 1.087 18415 82 1 14 "Average Difference" CA 136 1.500 0.097 1.502 18415 83 1 14 "Average Difference" CB 130 3.088 -0.895 2.967 18415 84 1 14 "Average Difference" HN 122 0.578 0.057 0.577 18415 85 1 15 "Average Difference" N 122 3.390 0.830 3.300 18415 86 1 15 "Average Difference" HA 143 0.357 -0.037 0.356 18415 87 1 15 "Average Difference" C 131 1.206 -0.198 1.194 18415 88 1 15 "Average Difference" CA 136 1.597 0.100 1.600 18415 89 1 15 "Average Difference" CB 130 2.997 -0.818 2.894 18415 90 1 15 "Average Difference" HN 122 0.557 0.031 0.558 18415 91 1 16 "Average Difference" N 122 3.254 0.673 3.196 18415 92 1 16 "Average Difference" HA 143 0.376 -0.034 0.376 18415 93 1 16 "Average Difference" C 131 1.125 -0.220 1.108 18415 94 1 16 "Average Difference" CA 136 1.512 0.102 1.514 18415 95 1 16 "Average Difference" CB 130 3.141 -0.928 3.013 18415 96 1 16 "Average Difference" HN 122 0.595 -0.030 0.596 18415 97 1 17 "Average Difference" N 122 3.466 0.551 3.436 18415 98 1 17 "Average Difference" HA 143 0.358 -0.042 0.357 18415 99 1 17 "Average Difference" C 131 1.180 -0.283 1.150 18415 100 1 17 "Average Difference" CA 136 1.573 0.056 1.578 18415 101 1 17 "Average Difference" CB 130 3.180 -0.936 3.050 18415 102 1 17 "Average Difference" HN 122 0.602 0.038 0.604 18415 103 1 18 "Average Difference" N 122 3.429 0.918 3.318 18415 104 1 18 "Average Difference" HA 143 0.359 -0.020 0.360 18415 105 1 18 "Average Difference" C 131 1.100 -0.225 1.080 18415 106 1 18 "Average Difference" CA 136 1.459 -0.037 1.464 18415 107 1 18 "Average Difference" CB 130 3.037 -0.896 2.913 18415 108 1 18 "Average Difference" HN 122 0.562 0.043 0.563 18415 109 1 19 "Average Difference" N 122 3.474 0.689 3.419 18415 110 1 19 "Average Difference" HA 143 0.398 -0.048 0.396 18415 111 1 19 "Average Difference" C 131 1.141 -0.187 1.130 18415 112 1 19 "Average Difference" CA 136 1.667 0.204 1.660 18415 113 1 19 "Average Difference" CB 130 3.246 -1.024 3.092 18415 114 1 19 "Average Difference" HN 122 0.619 -0.060 0.619 18415 115 1 20 "Average Difference" N 122 3.381 0.571 3.346 18415 116 1 20 "Average Difference" HA 143 0.303 -0.010 0.304 18415 117 1 20 "Average Difference" C 131 1.100 -0.235 1.079 18415 118 1 20 "Average Difference" CA 136 1.555 0.052 1.560 18415 119 1 20 "Average Difference" CB 130 3.015 -0.881 2.894 18415 120 1 20 "Average Difference" HN 122 0.567 0.036 0.568 18415 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 18415 _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 VAL HA H 2 3.787 3.787 4.233 -0.446 18415 2 1 . 1 1 2 2 VAL C C 2 172.250 172.250 174.125 -1.875 18415 3 1 . 1 1 2 2 VAL CA C 2 61.294 61.294 61.560 -0.266 18415 4 1 . 1 1 2 2 VAL CB C 2 33.708 33.708 32.953 0.755 18415 5 1 . 1 1 3 3 CYS N N 3 121.988 121.988 123.951 -1.963 18415 6 1 . 1 1 3 3 CYS HA H 3 5.205 5.205 4.686 0.519 18415 7 1 . 1 1 3 3 CYS C C 3 171.993 171.993 172.747 -0.754 18415 8 1 . 1 1 3 3 CYS CA C 3 52.044 52.044 56.392 -4.348 18415 9 1 . 1 1 3 3 CYS CB C 3 39.461 39.461 28.752 10.709 18415 10 1 . 1 1 3 3 CYS H H 3 8.628 8.628 8.427 0.201 18415 11 1 . 1 1 5 5 ILE HA H 5 3.823 3.823 3.848 -0.025 18415 12 1 . 1 1 5 5 ILE C C 5 176.622 176.622 176.471 0.151 18415 13 1 . 1 1 5 5 ILE CA C 5 63.300 63.300 62.985 0.315 18415 14 1 . 1 1 5 5 ILE CB C 5 38.044 38.044 37.647 0.396 18415 15 1 . 1 1 6 6 ASP N N 6 117.894 117.894 121.829 -3.935 18415 16 1 . 1 1 6 6 ASP HA H 6 4.344 4.344 4.580 -0.235 18415 17 1 . 1 1 6 6 ASP H H 6 8.606 8.606 8.436 0.170 18415 18 1 . 1 1 7 7 TRP N N 7 120.564 120.564 120.545 0.019 18415 19 1 . 1 1 7 7 TRP HA H 7 4.690 4.690 4.693 -0.003 18415 20 1 . 1 1 7 7 TRP C C 7 176.415 176.415 176.637 -0.222 18415 21 1 . 1 1 7 7 TRP CA C 7 58.038 58.038 57.804 0.233 18415 22 1 . 1 1 7 7 TRP CB C 7 28.771 28.771 29.387 -0.616 18415 23 1 . 1 1 7 7 TRP H H 7 8.208 8.208 7.750 0.458 18415 24 1 . 1 1 8 8 ARG N N 8 119.872 119.872 123.685 -3.813 18415 25 1 . 1 1 8 8 ARG HA H 8 4.686 4.686 4.382 0.304 18415 26 1 . 1 1 8 8 ARG C C 8 176.146 176.146 175.638 0.508 18415 27 1 . 1 1 8 8 ARG CA C 8 53.941 53.941 54.363 -0.422 18415 28 1 . 1 1 8 8 ARG CB C 8 31.563 31.563 30.060 1.503 18415 29 1 . 1 1 8 8 ARG H H 8 9.456 9.456 8.995 0.461 18415 30 1 . 1 1 9 9 ALA N N 9 127.265 127.265 129.675 -2.410 18415 31 1 . 1 1 9 9 ALA HA H 9 5.391 5.391 4.929 0.462 18415 32 1 . 1 1 9 9 ALA C C 9 176.927 176.927 176.415 0.512 18415 33 1 . 1 1 9 9 ALA CA C 9 52.010 52.010 51.494 0.516 18415 34 1 . 1 1 9 9 ALA CB C 9 22.663 22.663 19.902 2.761 18415 35 1 . 1 1 9 9 ALA H H 9 8.819 8.819 8.421 0.399 18415 36 1 . 1 1 10 10 PHE N N 10 120.450 120.450 126.908 -6.458 18415 37 1 . 1 1 10 10 PHE HA H 10 4.194 4.194 4.769 -0.575 18415 38 1 . 1 1 10 10 PHE C C 10 174.606 174.606 174.877 -0.271 18415 39 1 . 1 1 10 10 PHE CA C 10 58.526 58.526 57.695 0.832 18415 40 1 . 1 1 10 10 PHE CB C 10 40.861 40.861 41.789 -0.928 18415 41 1 . 1 1 10 10 PHE H H 10 8.202 8.202 9.069 -0.867 18415 42 1 . 1 1 11 11 GLN N N 11 126.391 126.391 124.281 2.110 18415 43 1 . 1 1 11 11 GLN HA H 11 3.461 3.461 3.582 -0.121 18415 44 1 . 1 1 11 11 GLN C C 11 175.859 175.859 175.748 0.111 18415 45 1 . 1 1 11 11 GLN CA C 11 57.252 57.252 58.013 -0.761 18415 46 1 . 1 1 11 11 GLN CB C 11 25.962 25.962 27.282 -1.320 18415 47 1 . 1 1 11 11 GLN H H 11 8.872 8.872 8.637 0.235 18415 48 1 . 1 1 12 12 SER N N 12 113.087 113.087 114.232 -1.145 18415 49 1 . 1 1 12 12 SER HA H 12 4.252 4.252 4.517 -0.265 18415 50 1 . 1 1 12 12 SER C C 12 173.339 173.339 173.291 0.048 18415 51 1 . 1 1 12 12 SER CA C 12 59.795 59.795 58.494 1.301 18415 52 1 . 1 1 12 12 SER CB C 12 62.943 62.943 64.889 -1.946 18415 53 1 . 1 1 12 12 SER H H 12 8.189 8.189 8.252 -0.063 18415 54 1 . 1 1 13 13 ASN N N 13 118.336 118.336 119.546 -1.210 18415 55 1 . 1 1 13 13 ASN HA H 13 5.256 5.256 5.002 0.254 18415 56 1 . 1 1 13 13 ASN C C 13 174.330 174.330 173.503 0.827 18415 57 1 . 1 1 13 13 ASN CA C 13 52.342 52.342 52.535 -0.193 18415 58 1 . 1 1 13 13 ASN CB C 13 43.458 43.458 41.413 2.045 18415 59 1 . 1 1 13 13 ASN H H 13 8.242 8.242 7.874 0.368 18415 60 1 . 1 1 14 14 CYS N N 14 118.315 118.315 117.635 0.680 18415 61 1 . 1 1 14 14 CYS HA H 14 5.861 5.861 5.340 0.521 18415 62 1 . 1 1 14 14 CYS C C 14 174.314 174.314 173.471 0.843 18415 63 1 . 1 1 14 14 CYS CA C 14 53.685 53.685 58.087 -4.402 18415 64 1 . 1 1 14 14 CYS CB C 14 44.019 44.019 29.295 14.724 18415 65 1 . 1 1 14 14 CYS H H 14 8.592 8.592 8.789 -0.197 18415 66 1 . 1 1 15 15 TYR N N 15 121.588 121.588 121.192 0.396 18415 67 1 . 1 1 15 15 TYR HA H 15 5.777 5.777 5.447 0.330 18415 68 1 . 1 1 15 15 TYR C C 15 176.333 176.333 174.396 1.937 18415 69 1 . 1 1 15 15 TYR CA C 15 57.616 57.616 55.766 1.849 18415 70 1 . 1 1 15 15 TYR CB C 15 44.583 44.583 41.298 3.285 18415 71 1 . 1 1 15 15 TYR H H 15 9.947 9.947 9.438 0.509 18415 72 1 . 1 1 16 16 PHE N N 16 121.989 121.989 122.967 -0.978 18415 73 1 . 1 1 16 16 PHE HA H 16 4.911 4.911 4.757 0.154 18415 74 1 . 1 1 16 16 PHE C C 16 172.937 172.937 172.786 0.151 18415 75 1 . 1 1 16 16 PHE CA C 16 53.398 53.398 53.978 -0.580 18415 76 1 . 1 1 16 16 PHE CB C 16 40.070 40.070 42.151 -2.081 18415 77 1 . 1 1 16 16 PHE H H 16 8.717 8.717 9.176 -0.459 18415 78 1 . 1 1 17 17 PRO HA H 17 5.116 5.116 4.690 0.426 18415 79 1 . 1 1 17 17 PRO C C 17 175.445 175.445 175.108 0.337 18415 80 1 . 1 1 17 17 PRO CA C 17 61.488 61.488 61.798 -0.310 18415 81 1 . 1 1 17 17 PRO CB C 17 31.991 31.991 32.035 -0.044 18415 82 1 . 1 1 18 18 LEU N N 18 126.062 126.062 124.918 1.144 18415 83 1 . 1 1 18 18 LEU HA H 18 4.681 4.681 4.589 0.092 18415 84 1 . 1 1 18 18 LEU C C 18 177.391 177.391 177.442 -0.051 18415 85 1 . 1 1 18 18 LEU CA C 18 55.360 55.360 53.856 1.504 18415 86 1 . 1 1 18 18 LEU CB C 18 45.482 45.482 44.043 1.439 18415 87 1 . 1 1 18 18 LEU H H 18 9.054 9.054 8.995 0.059 18415 88 1 . 1 1 19 19 THR N N 19 109.256 109.256 112.499 -3.243 18415 89 1 . 1 1 19 19 THR HA H 19 4.612 4.612 4.307 0.305 18415 90 1 . 1 1 19 19 THR C C 19 175.613 175.613 174.193 1.420 18415 91 1 . 1 1 19 19 THR CA C 19 62.236 62.236 61.464 0.772 18415 92 1 . 1 1 19 19 THR CB C 19 69.530 69.530 68.829 0.701 18415 93 1 . 1 1 19 19 THR H H 19 8.303 8.303 8.579 -0.276 18415 94 1 . 1 1 20 20 ASP N N 20 121.645 121.645 121.940 -0.295 18415 95 1 . 1 1 20 20 ASP HA H 20 4.457 4.457 4.523 -0.066 18415 96 1 . 1 1 20 20 ASP C C 20 174.684 174.684 175.342 -0.658 18415 97 1 . 1 1 20 20 ASP CA C 20 53.118 53.118 53.862 -0.744 18415 98 1 . 1 1 20 20 ASP CB C 20 40.069 40.069 41.591 -1.522 18415 99 1 . 1 1 20 20 ASP H H 20 8.834 8.834 7.911 0.923 18415 100 1 . 1 1 21 21 ASN N N 21 118.648 118.648 119.151 -0.503 18415 101 1 . 1 1 21 21 ASN HA H 21 4.646 4.646 4.774 -0.129 18415 102 1 . 1 1 21 21 ASN C C 21 176.542 176.542 174.567 1.975 18415 103 1 . 1 1 21 21 ASN CA C 21 53.452 53.452 53.457 -0.005 18415 104 1 . 1 1 21 21 ASN CB C 21 39.453 39.453 38.898 0.555 18415 105 1 . 1 1 21 21 ASN H H 21 8.113 8.113 8.536 -0.423 18415 106 1 . 1 1 22 22 LYS N N 22 122.470 122.470 123.441 -0.971 18415 107 1 . 1 1 22 22 LYS HA H 22 4.856 4.856 4.876 -0.020 18415 108 1 . 1 1 22 22 LYS C C 22 176.711 176.711 176.013 0.698 18415 109 1 . 1 1 22 22 LYS CA C 22 55.665 55.665 54.201 1.464 18415 110 1 . 1 1 22 22 LYS CB C 22 39.539 39.539 36.938 2.601 18415 111 1 . 1 1 22 22 LYS H H 22 8.794 8.794 8.609 0.185 18415 112 1 . 1 1 23 23 THR N N 23 109.009 109.009 114.514 -5.505 18415 113 1 . 1 1 23 23 THR HA H 23 5.647 5.647 4.840 0.807 18415 114 1 . 1 1 23 23 THR C C 23 178.411 178.411 175.733 2.678 18415 115 1 . 1 1 23 23 THR CA C 23 61.773 61.773 61.162 0.611 18415 116 1 . 1 1 23 23 THR CB C 23 71.820 71.820 69.830 1.990 18415 117 1 . 1 1 23 23 THR H H 23 8.250 8.250 8.745 -0.495 18415 118 1 . 1 1 24 24 TRP N N 24 126.345 126.345 124.211 2.134 18415 119 1 . 1 1 24 24 TRP HA H 24 3.030 3.030 3.603 -0.573 18415 120 1 . 1 1 24 24 TRP C C 24 178.204 178.204 177.063 1.141 18415 121 1 . 1 1 24 24 TRP CA C 24 64.581 64.581 62.241 2.340 18415 122 1 . 1 1 24 24 TRP CB C 24 30.654 30.654 29.199 1.455 18415 123 1 . 1 1 24 24 TRP H H 24 8.279 8.279 8.297 -0.018 18415 124 1 . 1 1 25 25 ALA N N 25 119.965 119.965 120.438 -0.473 18415 125 1 . 1 1 25 25 ALA HA H 25 3.948 3.948 3.971 -0.023 18415 126 1 . 1 1 25 25 ALA C C 25 182.089 182.089 179.701 2.388 18415 127 1 . 1 1 25 25 ALA CA C 25 55.890 55.890 55.183 0.707 18415 128 1 . 1 1 25 25 ALA CB C 25 18.255 18.255 18.092 0.163 18415 129 1 . 1 1 25 25 ALA H H 25 9.634 9.634 8.123 1.511 18415 130 1 . 1 1 26 26 GLU N N 26 116.492 116.492 118.277 -1.785 18415 131 1 . 1 1 26 26 GLU HA H 26 4.063 4.063 3.976 0.087 18415 132 1 . 1 1 26 26 GLU C C 26 179.756 179.756 179.096 0.660 18415 133 1 . 1 1 26 26 GLU CA C 26 58.295 58.295 58.912 -0.617 18415 134 1 . 1 1 26 26 GLU CB C 26 30.483 30.483 29.239 1.244 18415 135 1 . 1 1 26 26 GLU H H 26 7.392 7.392 7.867 -0.475 18415 136 1 . 1 1 27 27 SER N N 27 121.197 121.197 115.885 5.312 18415 137 1 . 1 1 27 27 SER HA H 27 3.855 3.855 4.058 -0.202 18415 138 1 . 1 1 27 27 SER C C 27 174.299 174.299 176.270 -1.971 18415 139 1 . 1 1 27 27 SER CA C 27 63.344 63.344 62.379 0.965 18415 140 1 . 1 1 27 27 SER CB C 27 62.329 62.329 62.724 -0.395 18415 141 1 . 1 1 27 27 SER H H 27 8.596 8.596 8.432 0.164 18415 142 1 . 1 1 28 28 GLU N N 28 124.173 124.173 120.885 3.288 18415 143 1 . 1 1 28 28 GLU HA H 28 4.268 4.268 3.912 0.356 18415 144 1 . 1 1 28 28 GLU C C 28 178.856 178.856 178.341 0.515 18415 145 1 . 1 1 28 28 GLU CA C 28 58.199 58.199 58.143 0.056 18415 146 1 . 1 1 28 28 GLU CB C 28 26.900 26.900 29.068 -2.168 18415 147 1 . 1 1 28 28 GLU H H 28 8.133 8.133 7.649 0.484 18415 148 1 . 1 1 29 29 ARG N N 29 120.498 120.498 118.148 2.350 18415 149 1 . 1 1 29 29 ARG HA H 29 4.043 4.043 4.097 -0.054 18415 150 1 . 1 1 29 29 ARG C C 29 179.339 179.339 178.175 1.164 18415 151 1 . 1 1 29 29 ARG CA C 29 59.691 59.691 58.774 0.917 18415 152 1 . 1 1 29 29 ARG CB C 29 30.235 30.235 30.227 0.008 18415 153 1 . 1 1 29 29 ARG H H 29 7.962 7.962 7.687 0.275 18415 154 1 . 1 1 30 30 ASN N N 30 119.000 119.000 116.856 2.144 18415 155 1 . 1 1 30 30 ASN HA H 30 4.447 4.447 4.655 -0.208 18415 156 1 . 1 1 30 30 ASN C C 30 178.153 178.153 175.804 2.349 18415 157 1 . 1 1 30 30 ASN CA C 30 57.650 57.650 54.936 2.714 18415 158 1 . 1 1 30 30 ASN CB C 30 40.436 40.436 39.709 0.727 18415 159 1 . 1 1 30 30 ASN H H 30 7.960 7.960 7.995 -0.035 18415 160 1 . 1 1 31 31 CYS N N 31 116.301 116.301 116.975 -0.674 18415 161 1 . 1 1 31 31 CYS HA H 31 4.481 4.481 4.714 -0.233 18415 162 1 . 1 1 31 31 CYS C C 31 178.072 178.072 175.820 2.252 18415 163 1 . 1 1 31 31 CYS CA C 31 56.410 56.410 59.691 -3.281 18415 164 1 . 1 1 31 31 CYS CB C 31 34.709 34.709 28.416 6.293 18415 165 1 . 1 1 31 31 CYS H H 31 8.477 8.477 7.944 0.533 18415 166 1 . 1 1 32 32 SER N N 32 119.834 119.834 115.485 4.349 18415 167 1 . 1 1 32 32 SER HA H 32 4.700 4.700 4.239 0.461 18415 168 1 . 1 1 32 32 SER C C 32 179.062 179.062 176.497 2.565 18415 169 1 . 1 1 32 32 SER CA C 32 61.663 61.663 60.879 0.784 18415 170 1 . 1 1 32 32 SER CB C 32 62.655 62.655 61.984 0.671 18415 171 1 . 1 1 32 32 SER H H 32 9.206 9.206 8.945 0.261 18415 172 1 . 1 1 33 33 GLY N N 33 111.632 111.632 110.339 1.293 18415 173 1 . 1 1 33 33 GLY C C 33 174.861 174.861 175.085 -0.224 18415 174 1 . 1 1 33 33 GLY CA C 33 46.667 46.667 47.280 -0.613 18415 175 1 . 1 1 33 33 GLY H H 33 8.053 8.053 8.400 -0.347 18415 176 1 . 1 1 34 34 MET N N 34 116.998 116.998 118.384 -1.386 18415 177 1 . 1 1 34 34 MET HA H 34 4.596 4.596 4.585 0.011 18415 178 1 . 1 1 34 34 MET C C 34 175.356 175.356 176.111 -0.755 18415 179 1 . 1 1 34 34 MET CA C 34 54.887 54.887 54.531 0.356 18415 180 1 . 1 1 34 34 MET CB C 34 33.959 33.959 32.452 1.507 18415 181 1 . 1 1 34 34 MET H H 34 7.441 7.441 7.756 -0.315 18415 182 1 . 1 1 35 35 GLY N N 35 106.474 106.474 107.366 -0.892 18415 183 1 . 1 1 35 35 GLY C C 35 173.112 173.112 173.234 -0.122 18415 184 1 . 1 1 35 35 GLY CA C 35 45.401 45.401 45.252 0.149 18415 185 1 . 1 1 35 35 GLY H H 35 7.807 7.807 7.879 -0.072 18415 186 1 . 1 1 36 36 ALA N N 36 121.833 121.833 121.302 0.531 18415 187 1 . 1 1 36 36 ALA HA H 36 4.702 4.702 4.630 0.072 18415 188 1 . 1 1 36 36 ALA C C 36 174.285 174.285 175.290 -1.005 18415 189 1 . 1 1 36 36 ALA CA C 36 49.721 49.721 50.857 -1.135 18415 190 1 . 1 1 36 36 ALA CB C 36 24.662 24.662 21.652 3.010 18415 191 1 . 1 1 36 36 ALA H H 36 7.693 7.693 7.389 0.304 18415 192 1 . 1 1 37 37 HIS N N 37 111.683 111.683 115.808 -4.125 18415 193 1 . 1 1 37 37 HIS HA H 37 5.131 5.131 5.148 -0.017 18415 194 1 . 1 1 37 37 HIS C C 37 175.351 175.351 174.705 0.646 18415 195 1 . 1 1 37 37 HIS CA C 37 54.573 54.573 55.010 -0.437 18415 196 1 . 1 1 37 37 HIS CB C 37 34.971 34.971 34.251 0.720 18415 197 1 . 1 1 37 37 HIS H H 37 8.078 8.078 8.798 -0.720 18415 198 1 . 1 1 38 38 LEU N N 38 123.260 123.260 122.091 1.169 18415 199 1 . 1 1 38 38 LEU HA H 38 4.773 4.773 4.499 0.274 18415 200 1 . 1 1 38 38 LEU C C 38 179.180 179.180 177.550 1.629 18415 201 1 . 1 1 38 38 LEU CA C 38 56.366 56.366 55.712 0.654 18415 202 1 . 1 1 38 38 LEU CB C 38 43.656 43.656 42.492 1.163 18415 203 1 . 1 1 38 38 LEU H H 38 9.964 9.964 8.790 1.174 18415 204 1 . 1 1 39 39 MET N N 39 119.511 119.511 124.094 -4.583 18415 205 1 . 1 1 39 39 MET HA H 39 3.855 3.855 4.448 -0.593 18415 206 1 . 1 1 39 39 MET C C 39 174.874 174.874 175.320 -0.446 18415 207 1 . 1 1 39 39 MET CA C 39 58.789 58.789 55.778 3.011 18415 208 1 . 1 1 39 39 MET CB C 39 34.405 34.405 32.170 2.235 18415 209 1 . 1 1 39 39 MET H H 39 8.409 8.409 8.609 -0.200 18415 210 1 . 1 1 40 40 THR N N 40 123.771 123.771 120.022 3.749 18415 211 1 . 1 1 40 40 THR HA H 40 4.013 4.013 4.540 -0.527 18415 212 1 . 1 1 40 40 THR C C 40 172.936 172.936 173.682 -0.746 18415 213 1 . 1 1 40 40 THR CA C 40 59.869 59.869 59.754 0.115 18415 214 1 . 1 1 40 40 THR CB C 40 70.587 70.587 68.737 1.850 18415 215 1 . 1 1 40 40 THR H H 40 6.822 6.822 8.343 -1.521 18415 216 1 . 1 1 41 41 ILE HA H 41 4.249 4.249 4.138 0.111 18415 217 1 . 1 1 41 41 ILE C C 41 174.349 174.349 175.731 -1.382 18415 218 1 . 1 1 41 41 ILE CA C 41 59.757 59.757 62.097 -2.340 18415 219 1 . 1 1 41 41 ILE CB C 41 38.571 38.571 37.137 1.434 18415 220 1 . 1 1 42 42 SER N N 42 122.113 122.113 122.060 0.053 18415 221 1 . 1 1 42 42 SER HA H 42 4.647 4.647 4.498 0.149 18415 222 1 . 1 1 42 42 SER C C 42 174.502 174.502 174.423 0.079 18415 223 1 . 1 1 42 42 SER CA C 42 59.768 59.768 59.488 0.280 18415 224 1 . 1 1 42 42 SER CB C 42 64.720 64.720 64.805 -0.085 18415 225 1 . 1 1 42 42 SER H H 42 9.230 9.230 9.439 -0.209 18415 226 1 . 1 1 43 43 THR N N 43 108.516 108.516 112.450 -3.934 18415 227 1 . 1 1 43 43 THR HA H 43 4.807 4.807 4.765 0.042 18415 228 1 . 1 1 43 43 THR C C 43 173.812 173.812 174.647 -0.835 18415 229 1 . 1 1 43 43 THR CA C 43 59.249 59.249 59.988 -0.739 18415 230 1 . 1 1 43 43 THR CB C 43 73.128 73.128 72.053 1.075 18415 231 1 . 1 1 43 43 THR H H 43 7.559 7.559 7.859 -0.300 18415 232 1 . 1 1 44 44 GLU N N 44 123.057 123.057 123.462 -0.405 18415 233 1 . 1 1 44 44 GLU HA H 44 3.449 3.449 4.088 -0.639 18415 234 1 . 1 1 44 44 GLU C C 44 178.262 178.262 178.120 0.142 18415 235 1 . 1 1 44 44 GLU CA C 44 59.329 59.329 59.923 -0.594 18415 236 1 . 1 1 44 44 GLU CB C 44 29.442 29.442 29.132 0.310 18415 237 1 . 1 1 44 44 GLU H H 44 9.377 9.377 9.103 0.274 18415 238 1 . 1 1 45 45 ALA N N 45 119.910 119.910 122.126 -2.216 18415 239 1 . 1 1 45 45 ALA HA H 45 4.050 4.050 4.232 -0.182 18415 240 1 . 1 1 45 45 ALA C C 45 180.096 180.096 179.522 0.574 18415 241 1 . 1 1 45 45 ALA CA C 45 55.180 55.180 55.065 0.115 18415 242 1 . 1 1 45 45 ALA CB C 45 18.267 18.267 18.169 0.098 18415 243 1 . 1 1 45 45 ALA H H 45 8.328 8.328 8.355 -0.027 18415 244 1 . 1 1 46 46 GLU N N 46 118.861 118.861 119.146 -0.285 18415 245 1 . 1 1 46 46 GLU HA H 46 3.612 3.612 3.468 0.144 18415 246 1 . 1 1 46 46 GLU C C 46 177.452 177.452 178.368 -0.916 18415 247 1 . 1 1 46 46 GLU CA C 46 59.284 59.284 59.513 -0.229 18415 248 1 . 1 1 46 46 GLU CB C 46 30.513 30.513 29.269 1.244 18415 249 1 . 1 1 46 46 GLU H H 46 7.852 7.852 7.837 0.015 18415 250 1 . 1 1 47 47 GLN N N 47 119.473 119.473 118.834 0.639 18415 251 1 . 1 1 47 47 GLN HA H 47 3.687 3.687 3.835 -0.148 18415 252 1 . 1 1 47 47 GLN C C 47 176.429 176.429 178.145 -1.716 18415 253 1 . 1 1 47 47 GLN CA C 47 59.908 59.908 58.912 0.996 18415 254 1 . 1 1 47 47 GLN CB C 47 29.976 29.976 28.374 1.602 18415 255 1 . 1 1 47 47 GLN H H 47 7.054 7.054 7.735 -0.681 18415 256 1 . 1 1 48 48 ASN N N 48 115.182 115.182 117.467 -2.285 18415 257 1 . 1 1 48 48 ASN HA H 48 4.213 4.213 4.259 -0.046 18415 258 1 . 1 1 48 48 ASN C C 48 176.986 176.986 177.250 -0.264 18415 259 1 . 1 1 48 48 ASN CA C 48 55.029 55.029 55.927 -0.898 18415 260 1 . 1 1 48 48 ASN CB C 48 37.558 37.558 38.347 -0.789 18415 261 1 . 1 1 48 48 ASN H H 48 8.416 8.416 8.039 0.377 18415 262 1 . 1 1 49 49 PHE N N 49 118.413 118.413 117.459 0.954 18415 263 1 . 1 1 49 49 PHE HA H 49 3.979 3.979 4.226 -0.247 18415 264 1 . 1 1 49 49 PHE C C 49 177.254 177.254 177.441 -0.187 18415 265 1 . 1 1 49 49 PHE CA C 49 60.162 60.162 60.772 -0.610 18415 266 1 . 1 1 49 49 PHE CB C 49 38.083 38.083 39.188 -1.105 18415 267 1 . 1 1 49 49 PHE H H 49 7.473 7.473 7.940 -0.467 18415 268 1 . 1 1 50 50 ILE N N 50 117.601 117.601 121.824 -4.223 18415 269 1 . 1 1 50 50 ILE HA H 50 3.541 3.541 3.919 -0.378 18415 270 1 . 1 1 50 50 ILE C C 50 176.891 176.891 176.734 0.157 18415 271 1 . 1 1 50 50 ILE CA C 50 59.652 59.652 62.474 -2.822 18415 272 1 . 1 1 50 50 ILE CB C 50 39.209 39.209 38.102 1.107 18415 273 1 . 1 1 50 50 ILE H H 50 7.020 7.020 7.823 -0.803 18415 274 1 . 1 1 51 51 ILE N N 51 114.824 114.824 115.616 -0.792 18415 275 1 . 1 1 51 51 ILE HA H 51 2.893 2.893 2.993 -0.100 18415 276 1 . 1 1 51 51 ILE C C 51 177.092 177.092 176.457 0.635 18415 277 1 . 1 1 51 51 ILE CA C 51 64.204 64.204 62.967 1.237 18415 278 1 . 1 1 51 51 ILE CB C 51 36.920 36.920 36.323 0.597 18415 279 1 . 1 1 51 51 ILE H H 51 7.216 7.216 7.438 -0.221 18415 280 1 . 1 1 52 52 GLN N N 52 116.767 116.767 117.801 -1.034 18415 281 1 . 1 1 52 52 GLN HA H 52 3.770 3.770 3.955 -0.185 18415 282 1 . 1 1 52 52 GLN C C 52 176.442 176.442 176.832 -0.390 18415 283 1 . 1 1 52 52 GLN CA C 52 57.270 57.270 57.447 -0.177 18415 284 1 . 1 1 52 52 GLN CB C 52 29.020 29.020 28.752 0.268 18415 285 1 . 1 1 52 52 GLN H H 52 6.416 6.416 7.194 -0.778 18415 286 1 . 1 1 53 53 PHE N N 53 115.400 115.400 117.110 -1.710 18415 287 1 . 1 1 53 53 PHE HA H 53 4.577 4.577 4.398 0.179 18415 288 1 . 1 1 53 53 PHE C C 53 174.993 174.993 175.945 -0.952 18415 289 1 . 1 1 53 53 PHE CA C 53 56.895 56.895 58.927 -2.032 18415 290 1 . 1 1 53 53 PHE CB C 53 39.533 39.533 39.931 -0.398 18415 291 1 . 1 1 53 53 PHE H H 53 7.216 7.216 7.270 -0.054 18415 292 1 . 1 1 54 54 LEU N N 54 118.096 118.096 119.755 -1.659 18415 293 1 . 1 1 54 54 LEU HA H 54 4.091 4.091 3.930 0.161 18415 294 1 . 1 1 54 54 LEU C C 54 175.467 175.467 176.426 -0.958 18415 295 1 . 1 1 54 54 LEU CA C 54 53.571 53.571 54.221 -0.650 18415 296 1 . 1 1 54 54 LEU CB C 54 41.707 41.707 41.598 0.109 18415 297 1 . 1 1 54 54 LEU H H 54 6.668 6.668 7.252 -0.584 18415 298 1 . 1 1 55 55 ASP N N 55 123.723 123.723 122.541 1.182 18415 299 1 . 1 1 55 55 ASP HA H 55 4.815 4.815 4.661 0.154 18415 300 1 . 1 1 55 55 ASP C C 55 177.896 177.896 177.033 0.863 18415 301 1 . 1 1 55 55 ASP CA C 55 53.098 53.098 54.595 -1.497 18415 302 1 . 1 1 55 55 ASP CB C 55 42.662 42.662 42.476 0.186 18415 303 1 . 1 1 55 55 ASP H H 55 8.687 8.687 8.514 0.173 18415 304 1 . 1 1 56 56 ARG N N 56 124.370 124.370 123.551 0.819 18415 305 1 . 1 1 56 56 ARG HA H 56 4.310 4.310 4.146 0.164 18415 306 1 . 1 1 56 56 ARG C C 56 178.201 178.201 176.018 2.183 18415 307 1 . 1 1 56 56 ARG CA C 56 58.958 58.958 57.015 1.943 18415 308 1 . 1 1 56 56 ARG CB C 56 30.578 30.578 28.448 2.130 18415 309 1 . 1 1 56 56 ARG H H 56 8.758 8.758 8.801 -0.043 18415 310 1 . 1 1 57 57 ARG N N 57 120.411 120.411 117.272 3.139 18415 311 1 . 1 1 57 57 ARG HA H 57 4.294 4.294 4.359 -0.065 18415 312 1 . 1 1 57 57 ARG C C 57 177.064 177.064 175.381 1.683 18415 313 1 . 1 1 57 57 ARG CA C 57 57.532 57.532 56.347 1.185 18415 314 1 . 1 1 57 57 ARG CB C 57 30.692 30.692 31.932 -1.240 18415 315 1 . 1 1 57 57 ARG H H 57 9.150 9.150 8.308 0.842 18415 316 1 . 1 1 58 58 LEU N N 58 119.445 119.445 121.754 -2.308 18415 317 1 . 1 1 58 58 LEU HA H 58 4.704 4.704 4.516 0.188 18415 318 1 . 1 1 58 58 LEU C C 58 176.450 176.450 175.939 0.511 18415 319 1 . 1 1 58 58 LEU CA C 58 54.279 54.279 53.693 0.586 18415 320 1 . 1 1 58 58 LEU CB C 58 43.258 43.258 43.166 0.092 18415 321 1 . 1 1 58 58 LEU H H 58 8.328 8.328 7.810 0.518 18415 322 1 . 1 1 59 59 SER N N 59 116.536 116.536 115.055 1.481 18415 323 1 . 1 1 59 59 SER HA H 59 5.505 5.505 5.107 0.398 18415 324 1 . 1 1 59 59 SER C C 59 173.263 173.263 173.367 -0.104 18415 325 1 . 1 1 59 59 SER CA C 59 57.199 57.199 57.002 0.197 18415 326 1 . 1 1 59 59 SER CB C 59 65.064 65.064 64.402 0.662 18415 327 1 . 1 1 59 59 SER H H 59 8.470 8.470 8.432 0.038 18415 328 1 . 1 1 60 60 TYR N N 60 120.274 120.274 123.814 -3.540 18415 329 1 . 1 1 60 60 TYR HA H 60 4.277 4.277 4.856 -0.579 18415 330 1 . 1 1 60 60 TYR C C 60 175.560 175.560 175.723 -0.163 18415 331 1 . 1 1 60 60 TYR CA C 60 56.472 56.472 56.789 -0.317 18415 332 1 . 1 1 60 60 TYR CB C 60 41.507 41.507 39.550 1.956 18415 333 1 . 1 1 60 60 TYR H H 60 8.897 8.897 9.178 -0.281 18415 334 1 . 1 1 61 61 PHE N N 61 123.635 123.635 122.674 0.961 18415 335 1 . 1 1 61 61 PHE HA H 61 5.288 5.288 4.631 0.656 18415 336 1 . 1 1 61 61 PHE C C 61 175.433 175.433 175.530 -0.097 18415 337 1 . 1 1 61 61 PHE CA C 61 61.075 61.075 60.818 0.257 18415 338 1 . 1 1 61 61 PHE CB C 61 40.869 40.869 39.250 1.619 18415 339 1 . 1 1 61 61 PHE H H 61 9.521 9.521 9.084 0.437 18415 340 1 . 1 1 62 62 LEU N N 62 114.382 114.382 120.970 -6.588 18415 341 1 . 1 1 62 62 LEU HA H 62 5.073 5.073 4.901 0.172 18415 342 1 . 1 1 62 62 LEU C C 62 179.521 179.521 177.789 1.732 18415 343 1 . 1 1 62 62 LEU CA C 62 51.783 51.783 53.437 -1.654 18415 344 1 . 1 1 62 62 LEU CB C 62 46.276 46.276 44.258 2.018 18415 345 1 . 1 1 62 62 LEU H H 62 8.394 8.394 8.530 -0.136 18415 346 1 . 1 1 63 63 GLY N N 63 106.675 106.675 108.719 -2.044 18415 347 1 . 1 1 63 63 GLY C C 63 172.404 172.404 173.609 -1.205 18415 348 1 . 1 1 63 63 GLY CA C 63 48.393 48.393 45.829 2.564 18415 349 1 . 1 1 63 63 GLY H H 63 9.253 9.253 9.064 0.189 18415 350 1 . 1 1 64 64 LEU N N 64 124.754 124.754 121.749 3.005 18415 351 1 . 1 1 64 64 LEU HA H 64 4.584 4.584 4.617 -0.033 18415 352 1 . 1 1 64 64 LEU CA C 64 54.302 54.302 53.937 0.365 18415 353 1 . 1 1 64 64 LEU CB C 64 43.272 43.272 42.782 0.490 18415 354 1 . 1 1 64 64 LEU H H 64 6.840 6.840 7.873 -1.033 18415 355 1 . 1 1 65 65 ARG N N 65 124.476 124.476 124.808 -0.332 18415 356 1 . 1 1 65 65 ARG HA H 65 5.160 5.160 4.299 0.861 18415 357 1 . 1 1 65 65 ARG C C 65 174.245 174.245 173.936 0.309 18415 358 1 . 1 1 65 65 ARG CA C 65 54.904 54.904 54.565 0.339 18415 359 1 . 1 1 65 65 ARG CB C 65 34.531 34.531 33.088 1.443 18415 360 1 . 1 1 65 65 ARG H H 65 8.218 8.218 8.782 -0.564 18415 361 1 . 1 1 66 66 ASP N N 66 126.754 126.754 124.839 1.915 18415 362 1 . 1 1 66 66 ASP HA H 66 4.429 4.429 4.554 -0.125 18415 363 1 . 1 1 66 66 ASP C C 66 176.516 176.516 174.622 1.894 18415 364 1 . 1 1 66 66 ASP CA C 66 51.854 51.854 52.529 -0.676 18415 365 1 . 1 1 66 66 ASP CB C 66 39.768 39.768 42.935 -3.167 18415 366 1 . 1 1 66 66 ASP H H 66 8.756 8.756 8.138 0.618 18415 367 1 . 1 1 67 67 GLU N N 67 123.390 123.390 123.519 -0.129 18415 368 1 . 1 1 67 67 GLU HA H 67 3.776 3.776 4.271 -0.495 18415 369 1 . 1 1 67 67 GLU C C 67 175.648 175.648 175.823 -0.175 18415 370 1 . 1 1 67 67 GLU CA C 67 58.848 58.848 56.157 2.691 18415 371 1 . 1 1 67 67 GLU CB C 67 30.316 30.316 30.272 0.044 18415 372 1 . 1 1 67 67 GLU H H 67 8.488 8.488 8.362 0.126 18415 373 1 . 1 1 68 68 ASN N N 68 114.882 114.882 120.787 -5.905 18415 374 1 . 1 1 68 68 ASN HA H 68 4.664 4.664 4.425 0.239 18415 375 1 . 1 1 68 68 ASN C C 68 174.482 174.482 173.930 0.552 18415 376 1 . 1 1 68 68 ASN CA C 68 52.914 52.914 54.018 -1.104 18415 377 1 . 1 1 68 68 ASN CB C 68 39.412 39.412 38.477 0.935 18415 378 1 . 1 1 68 68 ASN H H 68 8.336 8.336 8.596 -0.260 18415 379 1 . 1 1 69 69 ALA N N 69 118.915 118.915 119.224 -0.309 18415 380 1 . 1 1 69 69 ALA HA H 69 3.874 3.874 4.069 -0.195 18415 381 1 . 1 1 69 69 ALA C C 69 177.082 177.082 176.689 0.393 18415 382 1 . 1 1 69 69 ALA CA C 69 53.632 53.632 53.007 0.625 18415 383 1 . 1 1 69 69 ALA CB C 69 17.171 17.171 17.476 -0.305 18415 384 1 . 1 1 69 69 ALA H H 69 7.444 7.444 7.988 -0.543 18415 385 1 . 1 1 70 70 LYS N N 70 117.439 117.439 121.096 -3.657 18415 386 1 . 1 1 70 70 LYS HA H 70 4.318 4.318 4.250 0.068 18415 387 1 . 1 1 70 70 LYS C C 70 177.726 177.726 177.557 0.169 18415 388 1 . 1 1 70 70 LYS CA C 70 55.423 55.423 56.075 -0.652 18415 389 1 . 1 1 70 70 LYS CB C 70 32.736 32.736 33.137 -0.401 18415 390 1 . 1 1 70 70 LYS H H 70 7.925 7.925 8.582 -0.657 18415 391 1 . 1 1 71 71 GLY C C 71 175.127 175.127 174.051 1.076 18415 392 1 . 1 1 71 71 GLY CA C 71 45.674 45.674 45.405 0.269 18415 393 1 . 1 1 72 72 GLN N N 72 124.084 124.084 119.824 4.260 18415 394 1 . 1 1 72 72 GLN HA H 72 4.391 4.391 4.365 0.026 18415 395 1 . 1 1 72 72 GLN C C 72 174.283 174.283 175.114 -0.831 18415 396 1 . 1 1 72 72 GLN CA C 72 53.157 53.157 53.637 -0.480 18415 397 1 . 1 1 72 72 GLN CB C 72 27.633 27.633 28.172 -0.539 18415 398 1 . 1 1 72 72 GLN H H 72 7.749 7.749 7.824 -0.075 18415 399 1 . 1 1 73 73 TRP N N 73 121.803 121.803 124.907 -3.104 18415 400 1 . 1 1 73 73 TRP HA H 73 3.905 3.905 4.428 -0.523 18415 401 1 . 1 1 73 73 TRP C C 73 175.776 175.776 176.025 -0.249 18415 402 1 . 1 1 73 73 TRP CA C 73 56.821 56.821 57.866 -1.045 18415 403 1 . 1 1 73 73 TRP CB C 73 28.876 28.876 29.386 -0.510 18415 404 1 . 1 1 73 73 TRP H H 73 6.599 6.599 8.098 -1.499 18415 405 1 . 1 1 74 74 ARG N N 74 119.549 119.549 120.016 -0.467 18415 406 1 . 1 1 74 74 ARG HA H 74 4.706 4.706 4.775 -0.069 18415 407 1 . 1 1 74 74 ARG C C 74 176.980 176.980 175.165 1.815 18415 408 1 . 1 1 74 74 ARG CA C 74 54.333 54.333 54.831 -0.498 18415 409 1 . 1 1 74 74 ARG CB C 74 34.623 34.623 34.033 0.590 18415 410 1 . 1 1 74 74 ARG H H 74 8.443 8.443 8.167 0.276 18415 411 1 . 1 1 75 75 TRP N N 75 125.690 125.690 123.175 2.515 18415 412 1 . 1 1 75 75 TRP HA H 75 5.427 5.427 5.248 0.179 18415 413 1 . 1 1 75 75 TRP C C 75 180.474 180.474 177.740 2.734 18415 414 1 . 1 1 75 75 TRP CA C 75 55.766 55.766 57.593 -1.827 18415 415 1 . 1 1 75 75 TRP CB C 75 31.030 31.030 30.049 0.981 18415 416 1 . 1 1 75 75 TRP H H 75 9.052 9.052 8.886 0.166 18415 417 1 . 1 1 76 76 VAL HA H 76 4.278 4.278 4.048 0.230 18415 418 1 . 1 1 76 76 VAL C C 76 175.431 175.431 175.888 -0.457 18415 419 1 . 1 1 76 76 VAL CA C 76 64.564 64.564 64.523 0.041 18415 420 1 . 1 1 76 76 VAL CB C 76 32.369 32.369 31.832 0.537 18415 421 1 . 1 1 77 77 ASP N N 77 119.941 119.941 118.725 1.216 18415 422 1 . 1 1 77 77 ASP HA H 77 3.978 3.978 4.614 -0.636 18415 423 1 . 1 1 77 77 ASP C C 77 176.293 176.293 176.393 -0.100 18415 424 1 . 1 1 77 77 ASP CA C 77 52.759 52.759 54.396 -1.637 18415 425 1 . 1 1 77 77 ASP CB C 77 40.410 40.410 41.058 -0.648 18415 426 1 . 1 1 77 77 ASP H H 77 8.004 8.004 8.349 -0.345 18415 427 1 . 1 1 78 78 GLN N N 78 109.962 109.962 118.132 -8.170 18415 428 1 . 1 1 78 78 GLN HA H 78 4.125 4.125 4.241 -0.116 18415 429 1 . 1 1 78 78 GLN C C 78 176.387 176.387 175.309 1.078 18415 430 1 . 1 1 78 78 GLN CA C 78 57.792 57.792 57.055 0.737 18415 431 1 . 1 1 78 78 GLN CB C 78 26.101 26.101 28.583 -2.482 18415 432 1 . 1 1 78 78 GLN H H 78 8.124 8.124 8.266 -0.142 18415 433 1 . 1 1 79 79 THR N N 79 121.656 121.656 120.218 1.438 18415 434 1 . 1 1 79 79 THR HA H 79 4.250 4.250 4.477 -0.227 18415 435 1 . 1 1 79 79 THR C C 79 172.901 172.901 172.898 0.003 18415 436 1 . 1 1 79 79 THR CA C 79 63.165 63.165 62.985 0.180 18415 437 1 . 1 1 79 79 THR CB C 79 69.427 69.427 68.750 0.677 18415 438 1 . 1 1 79 79 THR H H 79 8.172 8.172 8.247 -0.075 18415 439 1 . 1 1 80 80 PRO HA H 80 4.522 4.522 4.646 -0.124 18415 440 1 . 1 1 80 80 PRO C C 80 176.940 176.940 176.446 0.494 18415 441 1 . 1 1 80 80 PRO CA C 80 63.688 63.688 62.846 0.842 18415 442 1 . 1 1 80 80 PRO CB C 80 32.187 32.187 32.475 -0.288 18415 443 1 . 1 1 81 81 PHE N N 81 125.403 125.403 122.310 3.093 18415 444 1 . 1 1 81 81 PHE HA H 81 4.909 4.909 4.580 0.329 18415 445 1 . 1 1 81 81 PHE C C 81 174.853 174.853 175.010 -0.157 18415 446 1 . 1 1 81 81 PHE CA C 81 58.353 58.353 59.106 -0.753 18415 447 1 . 1 1 81 81 PHE CB C 81 40.019 40.019 39.951 0.068 18415 448 1 . 1 1 81 81 PHE H H 81 9.015 9.015 8.504 0.511 18415 449 1 . 1 1 82 82 ASN N N 82 129.264 129.264 126.228 3.036 18415 450 1 . 1 1 82 82 ASN HA H 82 5.055 5.055 4.896 0.159 18415 451 1 . 1 1 82 82 ASN C C 82 173.643 173.643 173.586 0.057 18415 452 1 . 1 1 82 82 ASN CA C 82 48.803 48.803 50.882 -2.079 18415 453 1 . 1 1 82 82 ASN CB C 82 39.495 39.495 39.111 0.384 18415 454 1 . 1 1 82 82 ASN H H 82 8.985 8.985 8.276 0.709 18415 455 1 . 1 1 83 83 PRO HA H 83 4.003 4.003 4.327 -0.324 18415 456 1 . 1 1 83 83 PRO C C 83 177.123 177.123 177.126 -0.003 18415 457 1 . 1 1 83 83 PRO CA C 83 63.785 63.785 64.531 -0.746 18415 458 1 . 1 1 83 83 PRO CB C 83 32.514 32.514 32.076 0.438 18415 459 1 . 1 1 84 84 ARG N N 84 114.801 114.801 117.210 -2.409 18415 460 1 . 1 1 84 84 ARG HA H 84 4.323 4.323 4.248 0.075 18415 461 1 . 1 1 84 84 ARG C C 84 176.890 176.890 176.167 0.723 18415 462 1 . 1 1 84 84 ARG CA C 84 56.003 56.003 56.455 -0.452 18415 463 1 . 1 1 84 84 ARG CB C 84 30.158 30.158 30.561 -0.403 18415 464 1 . 1 1 84 84 ARG H H 84 7.697 7.697 8.127 -0.430 18415 465 1 . 1 1 85 85 ARG N N 85 123.958 123.958 119.927 4.031 18415 466 1 . 1 1 85 85 ARG HA H 85 4.305 4.305 3.978 0.326 18415 467 1 . 1 1 85 85 ARG C C 85 173.017 173.017 174.201 -1.184 18415 468 1 . 1 1 85 85 ARG CA C 85 53.809 53.809 54.905 -1.096 18415 469 1 . 1 1 85 85 ARG CB C 85 30.040 30.040 29.999 0.041 18415 470 1 . 1 1 85 85 ARG H H 85 7.596 7.596 7.602 -0.006 18415 471 1 . 1 1 86 86 VAL N N 86 110.039 110.039 120.623 -10.584 18415 472 1 . 1 1 86 86 VAL HA H 86 3.799 3.799 3.358 0.441 18415 473 1 . 1 1 86 86 VAL CA C 86 58.266 58.266 60.811 -2.545 18415 474 1 . 1 1 86 86 VAL CB C 86 34.226 34.226 32.854 1.373 18415 475 1 . 1 1 86 86 VAL H H 86 6.570 6.570 7.195 -0.625 18415 476 1 . 1 1 87 87 PHE HA H 87 4.322 4.322 4.328 -0.006 18415 477 1 . 1 1 87 87 PHE C C 87 173.471 173.471 174.489 -1.018 18415 478 1 . 1 1 87 87 PHE CA C 87 55.377 55.377 56.186 -0.809 18415 479 1 . 1 1 87 87 PHE CB C 87 37.384 37.384 37.627 -0.243 18415 480 1 . 1 1 88 88 TRP N N 88 118.538 118.538 121.166 -2.628 18415 481 1 . 1 1 88 88 TRP HA H 88 4.802 4.802 4.673 0.129 18415 482 1 . 1 1 88 88 TRP C C 88 179.297 179.297 176.998 2.299 18415 483 1 . 1 1 88 88 TRP CA C 88 57.237 57.237 57.278 -0.041 18415 484 1 . 1 1 88 88 TRP CB C 88 31.550 31.550 30.384 1.166 18415 485 1 . 1 1 88 88 TRP H H 88 6.633 6.633 7.736 -1.103 18415 486 1 . 1 1 89 89 HIS N N 89 122.693 122.693 119.590 3.103 18415 487 1 . 1 1 89 89 HIS HA H 89 4.371 4.371 4.616 -0.245 18415 488 1 . 1 1 89 89 HIS C C 89 175.621 175.621 175.799 -0.178 18415 489 1 . 1 1 89 89 HIS CA C 89 58.121 58.121 57.728 0.393 18415 490 1 . 1 1 89 89 HIS CB C 89 32.712 32.712 31.200 1.512 18415 491 1 . 1 1 89 89 HIS H H 89 9.473 9.473 9.042 0.431 18415 492 1 . 1 1 90 90 LYS N N 90 120.826 120.826 119.440 1.386 18415 493 1 . 1 1 90 90 LYS HA H 90 4.111 4.111 4.323 -0.212 18415 494 1 . 1 1 90 90 LYS C C 90 177.228 177.228 175.655 1.573 18415 495 1 . 1 1 90 90 LYS CA C 90 58.242 58.242 57.176 1.066 18415 496 1 . 1 1 90 90 LYS CB C 90 32.482 32.482 32.467 0.015 18415 497 1 . 1 1 90 90 LYS H H 90 8.741 8.741 8.701 0.040 18415 498 1 . 1 1 91 91 ASN N N 91 117.166 117.166 118.402 -1.236 18415 499 1 . 1 1 91 91 ASN HA H 91 4.316 4.316 4.688 -0.372 18415 500 1 . 1 1 91 91 ASN C C 91 173.391 173.391 174.119 -0.728 18415 501 1 . 1 1 91 91 ASN CA C 91 55.335 55.335 53.438 1.897 18415 502 1 . 1 1 91 91 ASN CB C 91 37.385 37.385 38.954 -1.569 18415 503 1 . 1 1 91 91 ASN H H 91 8.906 8.906 8.380 0.526 18415 504 1 . 1 1 92 92 GLU N N 92 116.991 116.991 121.256 -4.265 18415 505 1 . 1 1 92 92 GLU HA H 92 4.287 4.287 4.566 -0.279 18415 506 1 . 1 1 92 92 GLU C C 92 173.188 173.188 174.821 -1.633 18415 507 1 . 1 1 92 92 GLU CA C 92 53.271 53.271 54.338 -1.067 18415 508 1 . 1 1 92 92 GLU CB C 92 30.454 30.454 29.856 0.598 18415 509 1 . 1 1 92 92 GLU H H 92 7.738 7.738 8.186 -0.448 18415 510 1 . 1 1 95 95 ASN HA H 95 4.644 4.644 4.805 -0.161 18415 511 1 . 1 1 95 95 ASN C C 95 175.699 175.699 174.982 0.717 18415 512 1 . 1 1 95 95 ASN CA C 95 53.459 53.459 53.473 -0.014 18415 513 1 . 1 1 95 95 ASN CB C 95 38.725 38.725 39.952 -1.227 18415 514 1 . 1 1 96 96 SER N N 96 116.489 116.489 117.279 -0.790 18415 515 1 . 1 1 96 96 SER HA H 96 4.405 4.405 4.485 -0.080 18415 516 1 . 1 1 96 96 SER C C 96 174.831 174.831 173.601 1.230 18415 517 1 . 1 1 96 96 SER CA C 96 58.753 58.753 58.462 0.291 18415 518 1 . 1 1 96 96 SER CB C 96 64.216 64.216 63.486 0.730 18415 519 1 . 1 1 96 96 SER H H 96 8.118 8.118 8.347 -0.229 18415 520 1 . 1 1 97 97 GLN N N 97 121.023 121.023 122.668 -1.645 18415 521 1 . 1 1 97 97 GLN HA H 97 4.252 4.252 4.355 -0.103 18415 522 1 . 1 1 97 97 GLN C C 97 176.063 176.063 175.528 0.535 18415 523 1 . 1 1 97 97 GLN CA C 97 55.957 55.957 55.517 0.440 18415 524 1 . 1 1 97 97 GLN CB C 97 29.528 29.528 29.120 0.408 18415 525 1 . 1 1 97 97 GLN H H 97 8.371 8.371 8.299 0.072 18415 526 1 . 1 1 98 98 GLY N N 98 110.498 110.498 111.286 -0.788 18415 527 1 . 1 1 98 98 GLY C C 98 172.460 172.460 173.440 -0.980 18415 528 1 . 1 1 98 98 GLY CA C 98 44.936 44.936 45.357 -0.421 18415 529 1 . 1 1 98 98 GLY H H 98 8.080 8.080 8.219 -0.139 18415 530 1 . 1 1 99 99 GLU N N 99 119.919 119.919 122.191 -2.272 18415 531 1 . 1 1 99 99 GLU HA H 99 4.271 4.271 4.176 0.095 18415 532 1 . 1 1 99 99 GLU C C 99 176.605 176.605 175.022 1.583 18415 533 1 . 1 1 99 99 GLU CA C 99 56.508 56.508 56.039 0.469 18415 534 1 . 1 1 99 99 GLU CB C 99 29.469 29.469 29.030 0.439 18415 535 1 . 1 1 99 99 GLU H H 99 8.004 8.004 8.360 -0.356 18415 536 1 . 1 1 100 100 ASN HA H 100 5.280 5.280 5.048 0.232 18415 537 1 . 1 1 100 100 ASN CA C 100 53.381 53.381 52.566 0.816 18415 538 1 . 1 1 100 100 ASN CB C 100 41.917 41.917 39.831 2.086 18415 539 1 . 1 1 101 101 CYS N N 101 121.118 121.118 120.800 0.318 18415 540 1 . 1 1 101 101 CYS HA H 101 5.490 5.490 4.945 0.545 18415 541 1 . 1 1 101 101 CYS CA C 101 59.338 59.338 57.955 1.383 18415 542 1 . 1 1 101 101 CYS CB C 101 43.778 43.778 29.897 13.881 18415 543 1 . 1 1 101 101 CYS H H 101 9.707 9.707 8.839 0.868 18415 544 1 . 1 1 102 102 VAL HA H 102 5.186 5.186 5.337 -0.151 18415 545 1 . 1 1 102 102 VAL C C 102 175.530 175.530 175.025 0.505 18415 546 1 . 1 1 102 102 VAL CA C 102 63.033 63.033 60.616 2.417 18415 547 1 . 1 1 102 102 VAL CB C 102 35.154 35.154 33.270 1.884 18415 548 1 . 1 1 103 103 VAL N N 103 115.890 115.890 119.667 -3.777 18415 549 1 . 1 1 103 103 VAL HA H 103 5.348 5.348 4.960 0.388 18415 550 1 . 1 1 103 103 VAL C C 103 175.136 175.136 174.531 0.605 18415 551 1 . 1 1 103 103 VAL CA C 103 57.737 57.737 59.036 -1.299 18415 552 1 . 1 1 103 103 VAL CB C 103 35.134 35.134 35.235 -0.101 18415 553 1 . 1 1 103 103 VAL H H 103 8.698 8.698 8.686 0.012 18415 554 1 . 1 1 104 104 LEU N N 104 124.477 124.477 125.716 -1.240 18415 555 1 . 1 1 104 104 LEU HA H 104 4.976 4.976 5.088 -0.112 18415 556 1 . 1 1 104 104 LEU C C 104 176.248 176.248 175.863 0.385 18415 557 1 . 1 1 104 104 LEU CA C 104 54.993 54.993 54.802 0.191 18415 558 1 . 1 1 104 104 LEU CB C 104 44.842 44.842 42.058 2.784 18415 559 1 . 1 1 104 104 LEU H H 104 9.453 9.453 9.134 0.319 18415 560 1 . 1 1 105 105 VAL N N 105 123.109 123.109 125.840 -2.731 18415 561 1 . 1 1 105 105 VAL HA H 105 5.015 5.015 4.776 0.239 18415 562 1 . 1 1 105 105 VAL C C 105 173.635 173.635 173.659 -0.024 18415 563 1 . 1 1 105 105 VAL CA C 105 61.233 61.233 59.276 1.957 18415 564 1 . 1 1 105 105 VAL CB C 105 36.634 36.634 36.157 0.477 18415 565 1 . 1 1 105 105 VAL H H 105 9.477 9.477 8.934 0.543 18415 566 1 . 1 1 106 106 TYR N N 106 136.491 136.491 128.847 7.644 18415 567 1 . 1 1 106 106 TYR HA H 106 4.465 4.465 4.161 0.304 18415 568 1 . 1 1 106 106 TYR C C 106 175.009 175.009 173.830 1.179 18415 569 1 . 1 1 106 106 TYR CA C 106 57.049 57.049 57.765 -0.716 18415 570 1 . 1 1 106 106 TYR CB C 106 37.951 37.951 37.436 0.515 18415 571 1 . 1 1 106 106 TYR H H 106 9.509 9.509 8.273 1.236 18415 572 1 . 1 1 107 107 ASN N N 107 124.433 124.433 124.728 -0.295 18415 573 1 . 1 1 107 107 ASN HA H 107 4.550 4.550 4.729 -0.179 18415 574 1 . 1 1 107 107 ASN C C 107 173.919 173.919 174.285 -0.366 18415 575 1 . 1 1 107 107 ASN CA C 107 52.609 52.609 52.715 -0.105 18415 576 1 . 1 1 107 107 ASN CB C 107 41.010 41.010 41.010 -0.000 18415 577 1 . 1 1 107 107 ASN H H 107 8.329 8.329 8.314 0.015 18415 578 1 . 1 1 108 108 GLN N N 108 119.681 119.681 122.179 -2.498 18415 579 1 . 1 1 108 108 GLN HA H 108 3.654 3.654 3.936 -0.282 18415 580 1 . 1 1 108 108 GLN C C 108 175.060 175.060 174.604 0.456 18415 581 1 . 1 1 108 108 GLN CA C 108 57.606 57.606 56.919 0.687 18415 582 1 . 1 1 108 108 GLN CB C 108 26.264 26.264 27.286 -1.022 18415 583 1 . 1 1 108 108 GLN H H 108 8.558 8.558 8.847 -0.289 18415 584 1 . 1 1 109 109 ASP N N 109 109.712 109.712 113.123 -3.411 18415 585 1 . 1 1 109 109 ASP HA H 109 3.977 3.977 3.824 0.153 18415 586 1 . 1 1 109 109 ASP C C 109 174.354 174.354 174.612 -0.258 18415 587 1 . 1 1 109 109 ASP CA C 109 55.199 55.199 55.300 -0.100 18415 588 1 . 1 1 109 109 ASP CB C 109 40.026 40.026 40.410 -0.384 18415 589 1 . 1 1 109 109 ASP H H 109 8.199 8.199 8.410 -0.211 18415 590 1 . 1 1 110 110 LYS N N 110 115.590 115.590 115.348 0.242 18415 591 1 . 1 1 110 110 LYS HA H 110 4.552 4.552 4.494 0.058 18415 592 1 . 1 1 110 110 LYS C C 110 174.674 174.674 175.065 -0.391 18415 593 1 . 1 1 110 110 LYS CA C 110 55.469 55.469 54.431 1.038 18415 594 1 . 1 1 110 110 LYS CB C 110 35.589 35.589 34.498 1.091 18415 595 1 . 1 1 110 110 LYS H H 110 7.081 7.081 7.018 0.063 18415 596 1 . 1 1 111 111 TRP N N 111 122.248 122.248 123.322 -1.074 18415 597 1 . 1 1 111 111 TRP HA H 111 5.073 5.073 5.115 -0.042 18415 598 1 . 1 1 111 111 TRP C C 111 175.920 175.920 176.492 -0.572 18415 599 1 . 1 1 111 111 TRP CA C 111 57.189 57.189 57.841 -0.652 18415 600 1 . 1 1 111 111 TRP CB C 111 30.869 30.869 30.025 0.844 18415 601 1 . 1 1 111 111 TRP H H 111 8.650 8.650 8.586 0.064 18415 602 1 . 1 1 112 112 ALA N N 112 124.184 124.184 124.392 -0.208 18415 603 1 . 1 1 112 112 ALA HA H 112 4.168 4.168 4.676 -0.508 18415 604 1 . 1 1 112 112 ALA C C 112 174.995 174.995 175.344 -0.349 18415 605 1 . 1 1 112 112 ALA CA C 112 52.315 52.315 51.432 0.883 18415 606 1 . 1 1 112 112 ALA CB C 112 16.882 16.882 21.820 -4.938 18415 607 1 . 1 1 112 112 ALA H H 112 8.790 8.790 8.930 -0.140 18415 608 1 . 1 1 113 113 TRP N N 113 118.725 118.725 119.762 -1.037 18415 609 1 . 1 1 113 113 TRP HA H 113 6.156 6.156 5.448 0.708 18415 610 1 . 1 1 113 113 TRP C C 113 177.471 177.471 176.680 0.791 18415 611 1 . 1 1 113 113 TRP CA C 113 54.615 54.615 54.787 -0.172 18415 612 1 . 1 1 113 113 TRP CB C 113 32.374 32.374 29.453 2.921 18415 613 1 . 1 1 113 113 TRP H H 113 8.969 8.969 8.557 0.412 18415 614 1 . 1 1 114 114 ASN N N 114 120.479 120.479 120.334 0.145 18415 615 1 . 1 1 114 114 ASN HA H 114 5.490 5.490 5.319 0.171 18415 616 1 . 1 1 114 114 ASN C C 114 174.708 174.708 173.965 0.743 18415 617 1 . 1 1 114 114 ASN CA C 114 51.758 51.758 52.144 -0.386 18415 618 1 . 1 1 114 114 ASN CB C 114 42.018 42.018 42.225 -0.207 18415 619 1 . 1 1 114 114 ASN H H 114 9.518 9.518 8.954 0.564 18415 620 1 . 1 1 115 115 ASP N N 115 118.209 118.209 125.469 -7.260 18415 621 1 . 1 1 115 115 ASP HA H 115 5.871 5.871 4.991 0.880 18415 622 1 . 1 1 115 115 ASP C C 115 174.291 174.291 175.401 -1.110 18415 623 1 . 1 1 115 115 ASP CA C 115 52.187 52.187 54.793 -2.607 18415 624 1 . 1 1 115 115 ASP CB C 115 40.504 40.504 41.425 -0.921 18415 625 1 . 1 1 115 115 ASP H H 115 8.563 8.563 8.806 -0.243 18415 626 1 . 1 1 116 116 VAL N N 116 118.669 118.669 119.128 -0.459 18415 627 1 . 1 1 116 116 VAL HA H 116 4.895 4.895 4.680 0.215 18415 628 1 . 1 1 116 116 VAL C C 116 172.334 172.334 173.404 -1.070 18415 629 1 . 1 1 116 116 VAL CA C 116 58.281 58.281 58.126 0.155 18415 630 1 . 1 1 116 116 VAL CB C 116 34.333 34.333 34.676 -0.343 18415 631 1 . 1 1 116 116 VAL H H 116 9.369 9.369 8.707 0.662 18415 632 1 . 1 1 117 117 PRO HA H 117 4.934 4.934 4.795 0.139 18415 633 1 . 1 1 117 117 PRO CA C 117 63.076 63.076 62.838 0.238 18415 634 1 . 1 1 117 117 PRO CB C 117 32.359 32.359 31.768 0.591 18415 635 1 . 1 1 118 118 CYS HA H 118 4.450 4.450 4.456 -0.006 18415 636 1 . 1 1 118 118 CYS C C 118 175.583 175.583 175.986 -0.403 18415 637 1 . 1 1 118 118 CYS CA C 118 58.904 58.904 60.864 -1.960 18415 638 1 . 1 1 118 118 CYS CB C 118 43.841 43.841 26.711 17.131 18415 639 1 . 1 1 119 119 ASN N N 119 117.251 117.251 117.325 -0.074 18415 640 1 . 1 1 119 119 ASN HA H 119 4.913 4.913 4.747 0.166 18415 641 1 . 1 1 119 119 ASN C C 119 174.849 174.849 174.368 0.481 18415 642 1 . 1 1 119 119 ASN CA C 119 53.142 53.142 53.351 -0.209 18415 643 1 . 1 1 119 119 ASN CB C 119 37.076 37.076 38.370 -1.294 18415 644 1 . 1 1 119 119 ASN H H 119 8.411 8.411 8.412 -0.001 18415 645 1 . 1 1 120 120 PHE N N 120 123.415 123.415 122.230 1.185 18415 646 1 . 1 1 120 120 PHE HA H 120 4.546 4.546 4.722 -0.176 18415 647 1 . 1 1 120 120 PHE C C 120 173.156 173.156 174.523 -1.367 18415 648 1 . 1 1 120 120 PHE CA C 120 58.360 58.360 57.034 1.326 18415 649 1 . 1 1 120 120 PHE CB C 120 40.449 40.449 41.480 -1.031 18415 650 1 . 1 1 120 120 PHE H H 120 8.097 8.097 8.002 0.095 18415 651 1 . 1 1 121 121 GLU N N 121 119.143 119.143 126.140 -6.997 18415 652 1 . 1 1 121 121 GLU HA H 121 4.553 4.553 4.458 0.095 18415 653 1 . 1 1 121 121 GLU C C 121 174.732 174.732 174.872 -0.140 18415 654 1 . 1 1 121 121 GLU CA C 121 54.588 54.588 56.323 -1.735 18415 655 1 . 1 1 121 121 GLU CB C 121 30.420 30.420 29.675 0.745 18415 656 1 . 1 1 121 121 GLU H H 121 7.012 7.012 8.321 -1.309 18415 657 1 . 1 1 122 122 ALA N N 122 125.793 125.793 126.679 -0.886 18415 658 1 . 1 1 122 122 ALA HA H 122 4.471 4.471 4.526 -0.055 18415 659 1 . 1 1 122 122 ALA C C 122 177.616 177.616 175.585 2.031 18415 660 1 . 1 1 122 122 ALA CA C 122 51.243 51.243 50.776 0.467 18415 661 1 . 1 1 122 122 ALA CB C 122 20.602 20.602 21.894 -1.292 18415 662 1 . 1 1 122 122 ALA H H 122 8.441 8.441 8.912 -0.471 18415 663 1 . 1 1 123 123 SER N N 123 115.420 115.420 114.616 0.804 18415 664 1 . 1 1 123 123 SER HA H 123 4.522 4.522 5.259 -0.737 18415 665 1 . 1 1 123 123 SER C C 123 172.514 172.514 174.625 -2.111 18415 666 1 . 1 1 123 123 SER CA C 123 60.661 60.661 57.251 3.410 18415 667 1 . 1 1 123 123 SER CB C 123 62.943 62.943 63.992 -1.049 18415 668 1 . 1 1 123 123 SER H H 123 7.716 7.716 8.077 -0.361 18415 669 1 . 1 1 124 124 ARG N N 124 112.529 112.529 117.340 -4.811 18415 670 1 . 1 1 124 124 ARG HA H 124 5.490 5.490 5.043 0.447 18415 671 1 . 1 1 124 124 ARG C C 124 173.779 173.779 174.279 -0.500 18415 672 1 . 1 1 124 124 ARG CA C 124 55.939 55.939 55.445 0.494 18415 673 1 . 1 1 124 124 ARG CB C 124 31.925 31.925 33.934 -2.009 18415 674 1 . 1 1 124 124 ARG H H 124 8.840 8.840 8.694 0.146 18415 675 1 . 1 1 125 125 ILE N N 125 116.525 116.525 120.671 -4.146 18415 676 1 . 1 1 125 125 ILE HA H 125 4.718 4.718 4.878 -0.160 18415 677 1 . 1 1 125 125 ILE C C 125 175.656 175.656 174.682 0.974 18415 678 1 . 1 1 125 125 ILE CA C 125 60.836 60.836 59.501 1.335 18415 679 1 . 1 1 125 125 ILE CB C 125 41.558 41.558 40.999 0.558 18415 680 1 . 1 1 125 125 ILE H H 125 6.989 6.989 8.230 -1.241 18415 681 1 . 1 1 126 126 CYS N N 126 123.910 123.910 127.334 -3.424 18415 682 1 . 1 1 126 126 CYS HA H 126 5.570 5.570 5.216 0.354 18415 683 1 . 1 1 126 126 CYS C C 126 173.662 173.662 173.470 0.192 18415 684 1 . 1 1 126 126 CYS CA C 126 51.840 51.840 57.274 -5.434 18415 685 1 . 1 1 126 126 CYS CB C 126 39.141 39.141 29.161 9.980 18415 686 1 . 1 1 126 126 CYS H H 126 8.288 8.288 9.064 -0.776 18415 687 1 . 1 1 127 127 LYS N N 127 124.170 124.170 126.922 -2.752 18415 688 1 . 1 1 127 127 LYS HA H 127 5.619 5.619 5.446 0.173 18415 689 1 . 1 1 127 127 LYS C C 127 174.637 174.637 174.789 -0.152 18415 690 1 . 1 1 127 127 LYS CA C 127 55.235 55.235 54.546 0.689 18415 691 1 . 1 1 127 127 LYS CB C 127 38.518 38.518 35.466 3.052 18415 692 1 . 1 1 127 127 LYS H H 127 9.681 9.681 9.446 0.235 18415 693 1 . 1 1 128 128 ILE N N 128 129.226 129.226 125.274 3.952 18415 694 1 . 1 1 128 128 ILE HA H 128 4.900 4.900 4.728 0.172 18415 695 1 . 1 1 128 128 ILE C C 128 172.463 172.463 173.028 -0.565 18415 696 1 . 1 1 128 128 ILE CA C 128 58.384 58.384 57.375 1.009 18415 697 1 . 1 1 128 128 ILE CB C 128 43.888 43.888 41.820 2.068 18415 698 1 . 1 1 128 128 ILE H H 128 9.205 9.205 9.152 0.053 18415 699 1 . 1 1 129 129 PRO HA H 129 4.991 4.991 4.574 0.417 18415 700 1 . 1 1 129 129 PRO C C 129 177.954 177.954 177.414 0.540 18415 701 1 . 1 1 129 129 PRO CA C 129 62.624 62.624 62.562 0.062 18415 702 1 . 1 1 129 129 PRO CB C 129 32.501 32.501 32.200 0.301 18415 703 1 . 1 1 130 130 GLY N N 130 110.745 110.745 108.449 2.296 18415 704 1 . 1 1 130 130 GLY C C 130 175.022 175.022 174.946 0.076 18415 705 1 . 1 1 130 130 GLY CA C 130 46.256 46.256 45.395 0.861 18415 706 1 . 1 1 130 130 GLY H H 130 8.673 8.673 8.508 0.165 18415 707 1 . 1 1 131 131 THR N N 131 112.246 112.246 115.265 -3.019 18415 708 1 . 1 1 131 131 THR HA H 131 4.427 4.427 4.192 0.235 18415 709 1 . 1 1 131 131 THR C C 131 175.259 175.259 175.598 -0.339 18415 710 1 . 1 1 131 131 THR CA C 131 61.500 61.500 63.051 -1.551 18415 711 1 . 1 1 131 131 THR CB C 131 69.998 69.998 68.245 1.753 18415 712 1 . 1 1 131 131 THR H H 131 7.870 7.870 8.126 -0.256 18415 713 1 . 1 1 132 132 THR N N 132 116.455 116.455 117.042 -0.587 18415 714 1 . 1 1 132 132 THR HA H 132 4.281 4.281 4.007 0.274 18415 715 1 . 1 1 132 132 THR C C 132 174.867 174.867 175.234 -0.367 18415 716 1 . 1 1 132 132 THR CA C 132 62.453 62.453 65.334 -2.881 18415 717 1 . 1 1 132 132 THR CB C 132 69.868 69.868 68.331 1.537 18415 718 1 . 1 1 132 132 THR H H 132 8.120 8.120 7.955 0.165 18415 719 1 . 1 1 133 133 LEU N N 133 124.001 124.001 118.834 5.167 18415 720 1 . 1 1 133 133 LEU HA H 133 4.262 4.262 4.130 0.132 18415 721 1 . 1 1 133 133 LEU C C 133 177.365 177.365 178.081 -0.716 18415 722 1 . 1 1 133 133 LEU CA C 133 55.747 55.747 56.832 -1.085 18415 723 1 . 1 1 133 133 LEU CB C 133 42.322 42.322 41.431 0.891 18415 724 1 . 1 1 133 133 LEU H H 133 8.117 8.117 7.691 0.426 18415 725 1 . 1 1 134 134 ASN N N 134 119.222 119.222 117.238 1.984 18415 726 1 . 1 1 134 134 ASN HA H 134 4.621 4.621 4.628 -0.008 18415 727 1 . 1 1 134 134 ASN C C 134 175.725 175.725 176.265 -0.540 18415 728 1 . 1 1 134 134 ASN CA C 134 53.625 53.625 55.052 -1.427 18415 729 1 . 1 1 134 134 ASN CB C 134 38.836 38.836 39.314 -0.478 18415 730 1 . 1 1 134 134 ASN H H 134 8.325 8.325 7.684 0.641 18415 731 1 . 1 1 135 135 ALA N N 135 123.649 123.649 122.641 1.008 18415 732 1 . 1 1 135 135 ALA HA H 135 4.129 4.129 4.558 -0.429 18415 733 1 . 1 1 135 135 ALA C C 135 179.061 179.061 177.801 1.260 18415 734 1 . 1 1 135 135 ALA CA C 135 53.932 53.932 51.800 2.132 18415 735 1 . 1 1 135 135 ALA CB C 135 18.939 18.939 17.956 0.983 18415 736 1 . 1 1 135 135 ALA H H 135 8.205 8.205 7.906 0.299 18415 737 1 . 1 1 136 136 GLU N N 136 119.187 119.187 120.240 -1.053 18415 738 1 . 1 1 136 136 GLU HA H 136 4.205 4.205 4.032 0.173 18415 739 1 . 1 1 136 136 GLU C C 136 177.504 177.504 178.437 -0.933 18415 740 1 . 1 1 136 136 GLU CA C 136 57.879 57.879 59.397 -1.518 18415 741 1 . 1 1 136 136 GLU CB C 136 29.646 29.646 28.965 0.681 18415 742 1 . 1 1 136 136 GLU H H 136 8.349 8.349 8.084 0.265 18415 743 1 . 1 1 137 137 ASN N N 137 118.988 118.988 117.823 1.165 18415 744 1 . 1 1 137 137 ASN HA H 137 4.637 4.637 4.656 -0.019 18415 745 1 . 1 1 137 137 ASN C C 137 176.785 176.785 177.435 -0.650 18415 746 1 . 1 1 137 137 ASN CA C 137 54.474 54.474 55.243 -0.769 18415 747 1 . 1 1 137 137 ASN CB C 137 38.709 38.709 38.223 0.486 18415 748 1 . 1 1 137 137 ASN H H 137 8.259 8.259 8.271 -0.012 18415 749 1 . 1 1 138 138 LEU N N 138 121.438 121.438 121.640 -0.202 18415 750 1 . 1 1 138 138 LEU HA H 138 4.135 4.135 4.046 0.089 18415 751 1 . 1 1 138 138 LEU C C 138 178.872 178.872 178.376 0.496 18415 752 1 . 1 1 138 138 LEU CA C 138 56.927 56.927 57.959 -1.032 18415 753 1 . 1 1 138 138 LEU CB C 138 42.001 42.001 41.695 0.306 18415 754 1 . 1 1 138 138 LEU H H 138 8.084 8.084 7.688 0.396 18415 755 1 . 1 1 139 139 TYR N N 139 120.558 120.558 118.608 1.950 18415 756 1 . 1 1 139 139 TYR HA H 139 4.286 4.286 4.279 0.007 18415 757 1 . 1 1 139 139 TYR C C 139 177.587 177.587 177.674 -0.087 18415 758 1 . 1 1 139 139 TYR CA C 139 60.145 60.145 60.857 -0.712 18415 759 1 . 1 1 139 139 TYR CB C 139 38.366 38.366 38.760 -0.394 18415 760 1 . 1 1 139 139 TYR H H 139 8.130 8.130 8.321 -0.191 18415 761 1 . 1 1 140 140 PHE N N 140 120.508 120.508 120.060 0.448 18415 762 1 . 1 1 140 140 PHE HA H 140 4.355 4.355 4.234 0.121 18415 763 1 . 1 1 140 140 PHE C C 140 177.425 177.425 176.612 0.813 18415 764 1 . 1 1 140 140 PHE CA C 140 59.630 59.630 60.520 -0.890 18415 765 1 . 1 1 140 140 PHE CB C 140 39.252 39.252 39.376 -0.124 18415 766 1 . 1 1 140 140 PHE H H 140 8.275 8.275 7.967 0.308 18415 767 1 . 1 1 141 141 GLN N N 141 119.274 119.274 117.526 1.748 18415 768 1 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.177 -0.064 18415 769 1 . 1 1 141 141 GLN C C 141 176.976 176.976 175.975 1.001 18415 770 1 . 1 1 141 141 GLN CA C 141 57.363 57.363 56.364 0.999 18415 771 1 . 1 1 141 141 GLN CB C 141 29.028 29.028 29.229 -0.201 18415 772 1 . 1 1 141 141 GLN H H 141 8.250 8.250 7.872 0.378 18415 stop_ save_