data_19034 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19034 _Entry.PDB_ID 2M52 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 19034 _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 GLY CA C 2 42.457 42.457 44.383 -1.926 19034 2 1 1 . 1 1 3 3 HIS N N 3 118.891 118.891 118.769 0.122 19034 3 1 1 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.543 0.290 19034 4 1 1 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.737 -3.219 19034 5 1 1 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.200 -2.788 19034 6 1 1 . 1 1 3 3 HIS H H 3 8.079 8.079 8.316 -0.237 19034 7 1 1 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.892 -1.876 19034 8 1 1 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.394 -2.427 19034 9 1 1 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.041 -2.103 19034 10 1 1 . 1 1 5 5 THR N N 5 113.236 113.236 111.578 1.658 19034 11 1 1 . 1 1 5 5 THR HA H 5 4.430 4.430 4.667 -0.237 19034 12 1 1 . 1 1 5 5 THR CA C 5 56.748 56.748 59.795 -3.047 19034 13 1 1 . 1 1 5 5 THR CB C 5 69.859 69.859 70.932 -1.073 19034 14 1 1 . 1 1 5 5 THR H H 5 6.242 6.242 8.143 -1.901 19034 15 1 1 . 1 1 6 6 GLU N N 6 114.417 114.417 119.673 -5.256 19034 16 1 1 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.327 -0.152 19034 17 1 1 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.048 -1.624 19034 18 1 1 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.653 -3.524 19034 19 1 1 . 1 1 6 6 GLU H H 6 10.185 10.185 8.741 1.444 19034 20 1 1 . 1 1 7 7 VAL N N 7 119.290 119.290 118.892 0.398 19034 21 1 1 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.686 0.352 19034 22 1 1 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.361 -3.085 19034 23 1 1 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.712 -3.190 19034 24 1 1 . 1 1 7 7 VAL H H 7 8.270 8.270 7.717 0.553 19034 25 1 1 . 1 1 8 8 LEU N N 8 130.138 130.138 122.670 7.468 19034 26 1 1 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.055 -0.414 19034 27 1 1 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.094 -4.306 19034 28 1 1 . 1 1 8 8 LEU CB C 8 43.885 43.885 45.998 -2.112 19034 29 1 1 . 1 1 8 8 LEU H H 8 9.316 9.316 9.030 0.286 19034 30 1 1 . 1 1 9 9 CYS N N 9 123.769 123.769 126.883 -3.114 19034 31 1 1 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.175 -0.136 19034 32 1 1 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.901 -3.653 19034 33 1 1 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.303 -3.075 19034 34 1 1 . 1 1 9 9 CYS H H 9 8.902 8.902 9.127 -0.225 19034 35 1 1 . 1 1 10 10 LEU N N 10 127.313 127.313 127.727 -0.414 19034 36 1 1 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.225 -0.641 19034 37 1 1 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.452 -2.084 19034 38 1 1 . 1 1 10 10 LEU CB C 10 40.709 40.709 45.106 -4.397 19034 39 1 1 . 1 1 10 10 LEU H H 10 9.203 9.203 9.035 0.168 19034 40 1 1 . 1 1 11 11 MET N N 11 124.158 124.158 117.586 6.572 19034 41 1 1 . 1 1 11 11 MET HA H 11 4.481 4.481 4.817 -0.336 19034 42 1 1 . 1 1 11 11 MET CA C 11 52.655 52.655 55.034 -2.379 19034 43 1 1 . 1 1 11 11 MET CB C 11 33.156 33.156 36.884 -3.728 19034 44 1 1 . 1 1 11 11 MET H H 11 9.161 9.161 7.821 1.340 19034 45 1 1 . 1 1 12 12 ASN N N 12 114.067 114.067 113.013 1.054 19034 46 1 1 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.294 -0.013 19034 47 1 1 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.542 -2.857 19034 48 1 1 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.722 -1.408 19034 49 1 1 . 1 1 12 12 ASN H H 12 8.842 8.842 8.999 -0.157 19034 50 1 1 . 1 1 13 13 MET N N 13 118.202 118.202 117.424 0.778 19034 51 1 1 . 1 1 13 13 MET HA H 13 3.952 3.952 4.302 -0.350 19034 52 1 1 . 1 1 13 13 MET CA C 13 55.132 55.132 58.074 -2.942 19034 53 1 1 . 1 1 13 13 MET CB C 13 31.944 31.944 33.480 -1.536 19034 54 1 1 . 1 1 13 13 MET H H 13 8.519 8.519 8.216 0.303 19034 55 1 1 . 1 1 14 14 VAL N N 14 110.436 110.436 113.382 -2.946 19034 56 1 1 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.051 0.401 19034 57 1 1 . 1 1 14 14 VAL CA C 14 55.821 55.821 61.346 -5.525 19034 58 1 1 . 1 1 14 14 VAL CB C 14 32.754 32.754 32.858 -0.104 19034 59 1 1 . 1 1 14 14 VAL H H 14 6.949 6.949 7.762 -0.813 19034 60 1 1 . 1 1 15 15 LEU N N 15 123.248 123.248 119.623 3.625 19034 61 1 1 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.751 0.028 19034 62 1 1 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.927 -3.046 19034 63 1 1 . 1 1 15 15 LEU CB C 15 39.500 39.500 43.221 -3.721 19034 64 1 1 . 1 1 15 15 LEU H H 15 8.346 8.346 8.058 0.288 19034 65 1 1 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.387 -0.504 19034 66 1 1 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.095 -7.989 19034 67 1 1 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.887 -2.374 19034 68 1 1 . 1 1 17 17 GLU N N 17 119.496 119.496 114.910 4.586 19034 69 1 1 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.549 -0.438 19034 70 1 1 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.210 -1.715 19034 71 1 1 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.111 -2.223 19034 72 1 1 . 1 1 17 17 GLU H H 17 7.754 7.754 8.446 -0.692 19034 73 1 1 . 1 1 18 18 GLU N N 18 112.697 112.697 119.294 -6.597 19034 74 1 1 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.471 -0.493 19034 75 1 1 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.267 0.018 19034 76 1 1 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.654 -5.579 19034 77 1 1 . 1 1 18 18 GLU H H 18 8.975 8.975 7.809 1.166 19034 78 1 1 . 1 1 19 19 LEU N N 19 113.096 113.096 122.414 -9.318 19034 79 1 1 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.316 0.103 19034 80 1 1 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.362 -4.413 19034 81 1 1 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.431 -0.088 19034 82 1 1 . 1 1 19 19 LEU H H 19 7.266 7.266 8.242 -0.976 19034 83 1 1 . 1 1 20 20 LEU N N 20 119.130 119.130 117.786 1.344 19034 84 1 1 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.462 -0.424 19034 85 1 1 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.372 -0.370 19034 86 1 1 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.488 -2.222 19034 87 1 1 . 1 1 20 20 LEU H H 20 7.102 7.102 7.445 -0.343 19034 88 1 1 . 1 1 21 21 ASP N N 21 120.713 120.713 121.024 -0.311 19034 89 1 1 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.649 -0.042 19034 90 1 1 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.445 -4.639 19034 91 1 1 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.805 -1.238 19034 92 1 1 . 1 1 21 21 ASP H H 21 8.071 8.071 7.925 0.146 19034 93 1 1 . 1 1 22 22 ASP N N 22 126.353 126.353 124.459 1.894 19034 94 1 1 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.438 -0.196 19034 95 1 1 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.423 -0.773 19034 96 1 1 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.180 -3.097 19034 97 1 1 . 1 1 22 22 ASP H H 22 8.835 8.835 8.827 0.008 19034 98 1 1 . 1 1 23 23 GLU N N 23 119.623 119.623 116.906 2.717 19034 99 1 1 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.356 -0.290 19034 100 1 1 . 1 1 23 23 GLU CA C 23 56.840 56.840 57.172 -0.332 19034 101 1 1 . 1 1 23 23 GLU CB C 23 26.412 26.412 28.943 -2.531 19034 102 1 1 . 1 1 23 23 GLU H H 23 8.177 8.177 8.834 -0.657 19034 103 1 1 . 1 1 24 24 GLU N N 24 121.959 121.959 119.916 2.043 19034 104 1 1 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.327 -0.331 19034 105 1 1 . 1 1 24 24 GLU CA C 24 56.361 56.361 56.658 -0.298 19034 106 1 1 . 1 1 24 24 GLU CB C 24 26.457 26.457 30.713 -4.256 19034 107 1 1 . 1 1 24 24 GLU H H 24 8.218 8.218 7.824 0.394 19034 108 1 1 . 1 1 25 25 TYR N N 25 119.522 119.522 121.983 -2.461 19034 109 1 1 . 1 1 25 25 TYR HA H 25 3.951 3.951 3.992 -0.041 19034 110 1 1 . 1 1 25 25 TYR CA C 25 59.647 59.647 62.374 -2.727 19034 111 1 1 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.697 -2.692 19034 112 1 1 . 1 1 25 25 TYR H H 25 8.694 8.694 7.888 0.806 19034 113 1 1 . 1 1 26 26 GLU N N 26 116.410 116.410 116.678 -0.268 19034 114 1 1 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.005 -0.303 19034 115 1 1 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.088 -2.759 19034 116 1 1 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.513 -3.335 19034 117 1 1 . 1 1 26 26 GLU H H 26 7.852 7.852 8.110 -0.258 19034 118 1 1 . 1 1 27 27 GLU N N 27 118.895 118.895 119.776 -0.881 19034 119 1 1 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.067 -0.146 19034 120 1 1 . 1 1 27 27 GLU CA C 27 56.445 56.445 58.748 -2.303 19034 121 1 1 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.113 -2.873 19034 122 1 1 . 1 1 27 27 GLU H H 27 7.555 7.555 7.616 -0.061 19034 123 1 1 . 1 1 28 28 ILE N N 28 121.720 121.720 119.871 1.849 19034 124 1 1 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.615 0.027 19034 125 1 1 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.034 -2.679 19034 126 1 1 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.458 -2.392 19034 127 1 1 . 1 1 28 28 ILE H H 28 7.918 7.918 8.127 -0.209 19034 128 1 1 . 1 1 29 29 VAL N N 29 119.336 119.336 119.121 0.215 19034 129 1 1 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.556 -0.521 19034 130 1 1 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.716 -2.109 19034 131 1 1 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.698 -1.634 19034 132 1 1 . 1 1 29 29 VAL H H 29 7.832 7.832 7.405 0.427 19034 133 1 1 . 1 1 30 30 GLU N N 30 116.291 116.291 119.441 -3.150 19034 134 1 1 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.069 -0.192 19034 135 1 1 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.069 -3.008 19034 136 1 1 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.084 -2.973 19034 137 1 1 . 1 1 30 30 GLU H H 30 7.405 7.405 7.592 -0.187 19034 138 1 1 . 1 1 31 31 ASP N N 31 120.811 120.811 120.549 0.262 19034 139 1 1 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.327 0.047 19034 140 1 1 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.565 -3.033 19034 141 1 1 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.796 -3.511 19034 142 1 1 . 1 1 31 31 ASP H H 31 8.471 8.471 8.566 -0.095 19034 143 1 1 . 1 1 32 32 VAL N N 32 121.006 121.006 119.016 1.990 19034 144 1 1 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.711 -0.300 19034 145 1 1 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.177 -0.962 19034 146 1 1 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.516 -2.971 19034 147 1 1 . 1 1 32 32 VAL H H 32 8.655 8.655 7.271 1.384 19034 148 1 1 . 1 1 33 33 ARG N N 33 122.143 122.143 121.277 0.866 19034 149 1 1 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.797 -0.304 19034 150 1 1 . 1 1 33 33 ARG CA C 33 58.431 58.431 60.300 -1.869 19034 151 1 1 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.921 -2.689 19034 152 1 1 . 1 1 33 33 ARG H H 33 8.507 8.507 7.784 0.723 19034 153 1 1 . 1 1 34 34 ASP N N 34 120.971 120.971 118.340 2.631 19034 154 1 1 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.318 -0.062 19034 155 1 1 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.335 -2.235 19034 156 1 1 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.818 -2.742 19034 157 1 1 . 1 1 34 34 ASP H H 34 8.633 8.633 7.975 0.658 19034 158 1 1 . 1 1 35 35 GLU N N 35 119.918 119.918 117.514 2.404 19034 159 1 1 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.083 -0.019 19034 160 1 1 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.665 -2.234 19034 161 1 1 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.698 -2.838 19034 162 1 1 . 1 1 35 35 GLU H H 35 8.184 8.184 7.564 0.620 19034 163 1 1 . 1 1 36 36 CYS N N 36 114.288 114.288 118.626 -4.338 19034 164 1 1 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.586 -0.212 19034 165 1 1 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.380 1.163 19034 166 1 1 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.945 -3.035 19034 167 1 1 . 1 1 36 36 CYS H H 36 8.584 8.584 8.278 0.306 19034 168 1 1 . 1 1 37 37 SER N N 37 114.987 114.987 116.437 -1.450 19034 169 1 1 . 1 1 37 37 SER HA H 37 5.135 5.135 4.388 0.747 19034 170 1 1 . 1 1 37 37 SER CA C 37 58.124 58.124 61.297 -3.173 19034 171 1 1 . 1 1 37 37 SER CB C 37 60.481 60.481 62.739 -2.257 19034 172 1 1 . 1 1 37 37 SER H H 37 8.164 8.164 7.843 0.321 19034 173 1 1 . 1 1 38 38 LYS N N 38 119.574 119.574 120.970 -1.396 19034 174 1 1 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.029 -0.225 19034 175 1 1 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.487 -2.997 19034 176 1 1 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.440 -3.069 19034 177 1 1 . 1 1 38 38 LYS H H 38 7.111 7.111 7.608 -0.497 19034 178 1 1 . 1 1 39 39 TYR N N 39 116.372 116.372 116.354 0.018 19034 179 1 1 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.673 -0.369 19034 180 1 1 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.819 -1.895 19034 181 1 1 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.783 -2.661 19034 182 1 1 . 1 1 39 39 TYR H H 39 7.576 7.576 7.959 -0.383 19034 183 1 1 . 1 1 40 40 GLY N N 40 103.718 103.718 106.203 -2.485 19034 184 1 1 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.431 -3.245 19034 185 1 1 . 1 1 40 40 GLY H H 40 7.380 7.380 7.628 -0.248 19034 186 1 1 . 1 1 41 41 LEU N N 41 118.877 118.877 122.529 -3.652 19034 187 1 1 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.782 -0.450 19034 188 1 1 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.132 -1.062 19034 189 1 1 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.894 -4.935 19034 190 1 1 . 1 1 41 41 LEU H H 41 8.260 8.260 8.525 -0.265 19034 191 1 1 . 1 1 42 42 VAL N N 42 127.032 127.032 126.355 0.677 19034 192 1 1 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.371 0.136 19034 193 1 1 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.777 -2.829 19034 194 1 1 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.766 -1.764 19034 195 1 1 . 1 1 42 42 VAL H H 42 8.598 8.598 8.306 0.292 19034 196 1 1 . 1 1 43 43 LYS N N 43 130.977 130.977 128.768 2.209 19034 197 1 1 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.022 0.104 19034 198 1 1 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.656 -3.634 19034 199 1 1 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.119 -1.026 19034 200 1 1 . 1 1 43 43 LYS H H 43 9.307 9.307 8.690 0.617 19034 201 1 1 . 1 1 44 44 SER N N 44 110.453 110.453 107.894 2.559 19034 202 1 1 . 1 1 44 44 SER HA H 44 4.492 4.492 4.661 -0.169 19034 203 1 1 . 1 1 44 44 SER CA C 44 55.890 55.890 57.315 -1.425 19034 204 1 1 . 1 1 44 44 SER CB C 44 62.940 62.940 65.820 -2.880 19034 205 1 1 . 1 1 44 44 SER H H 44 7.938 7.938 7.692 0.246 19034 206 1 1 . 1 1 45 45 ILE N N 45 118.542 118.542 118.922 -0.380 19034 207 1 1 . 1 1 45 45 ILE HA H 45 5.050 5.050 5.133 -0.083 19034 208 1 1 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.716 -3.185 19034 209 1 1 . 1 1 45 45 ILE CB C 45 40.320 40.320 42.233 -1.913 19034 210 1 1 . 1 1 45 45 ILE H H 45 8.136 8.136 8.298 -0.162 19034 211 1 1 . 1 1 46 46 GLU N N 46 125.456 125.456 124.540 0.916 19034 212 1 1 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.754 -0.054 19034 213 1 1 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.022 -2.555 19034 214 1 1 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.906 -1.143 19034 215 1 1 . 1 1 46 46 GLU H H 46 9.364 9.364 9.383 -0.019 19034 216 1 1 . 1 1 47 47 ILE N N 47 122.471 122.471 127.792 -5.321 19034 217 1 1 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.552 0.153 19034 218 1 1 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.171 -1.836 19034 219 1 1 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.606 -1.818 19034 220 1 1 . 1 1 47 47 ILE H H 47 8.672 8.672 8.634 0.038 19034 221 1 1 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.172 -2.296 19034 222 1 1 . 1 1 49 49 ARG N N 49 120.907 120.907 122.558 -1.651 19034 223 1 1 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.741 -0.034 19034 224 1 1 . 1 1 49 49 ARG CB C 49 29.928 29.928 29.637 0.291 19034 225 1 1 . 1 1 49 49 ARG H H 49 7.944 7.944 8.313 -0.369 19034 226 1 1 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.480 -0.088 19034 227 1 1 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.768 -2.140 19034 228 1 1 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.785 -3.159 19034 229 1 1 . 1 1 51 51 VAL N N 51 121.425 121.425 120.739 0.686 19034 230 1 1 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.171 -0.184 19034 231 1 1 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.639 -2.782 19034 232 1 1 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.827 0.411 19034 233 1 1 . 1 1 51 51 VAL H H 51 7.992 7.992 8.460 -0.468 19034 234 1 1 . 1 1 52 52 ASP N N 52 127.160 127.160 128.986 -1.826 19034 235 1 1 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.324 -0.087 19034 236 1 1 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.922 -1.634 19034 237 1 1 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.303 -2.353 19034 238 1 1 . 1 1 52 52 ASP H H 52 8.746 8.746 9.085 -0.339 19034 239 1 1 . 1 1 53 53 GLY N N 53 108.483 108.483 104.463 4.020 19034 240 1 1 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.805 -1.831 19034 241 1 1 . 1 1 53 53 GLY H H 53 8.589 8.589 7.992 0.597 19034 242 1 1 . 1 1 54 54 VAL N N 54 120.874 120.874 123.425 -2.551 19034 243 1 1 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.042 0.117 19034 244 1 1 . 1 1 54 54 VAL CA C 54 58.489 58.489 62.671 -4.182 19034 245 1 1 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.130 -0.097 19034 246 1 1 . 1 1 54 54 VAL H H 54 7.804 7.804 7.910 -0.106 19034 247 1 1 . 1 1 55 55 GLU N N 55 126.140 126.140 126.380 -0.240 19034 248 1 1 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.240 -0.067 19034 249 1 1 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.953 -3.257 19034 250 1 1 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.386 -3.626 19034 251 1 1 . 1 1 55 55 GLU H H 55 8.578 8.578 8.592 -0.014 19034 252 1 1 . 1 1 56 56 VAL N N 56 124.648 124.648 118.856 5.792 19034 253 1 1 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.620 -0.265 19034 254 1 1 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.151 -1.081 19034 255 1 1 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.661 -2.855 19034 256 1 1 . 1 1 56 56 VAL H H 56 7.661 7.661 8.041 -0.380 19034 257 1 1 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.485 -0.368 19034 258 1 1 . 1 1 57 57 PRO CA C 57 61.241 61.241 64.059 -2.818 19034 259 1 1 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.298 -3.053 19034 260 1 1 . 1 1 58 58 GLY N N 58 109.755 109.755 111.105 -1.350 19034 261 1 1 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.332 -2.485 19034 262 1 1 . 1 1 58 58 GLY H H 58 8.577 8.577 8.543 0.034 19034 263 1 1 . 1 1 59 59 CYS N N 59 118.400 118.400 119.222 -0.822 19034 264 1 1 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.307 -0.252 19034 265 1 1 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.651 -1.327 19034 266 1 1 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.186 -4.008 19034 267 1 1 . 1 1 59 59 CYS H H 59 7.631 7.631 7.706 -0.075 19034 268 1 1 . 1 1 60 60 GLY N N 60 119.002 119.002 113.075 5.927 19034 269 1 1 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.531 -3.392 19034 270 1 1 . 1 1 60 60 GLY H H 60 10.447 10.447 8.465 1.982 19034 271 1 1 . 1 1 61 61 LYS N N 61 122.250 122.250 119.289 2.961 19034 272 1 1 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.569 -0.238 19034 273 1 1 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.512 -2.568 19034 274 1 1 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.482 -0.309 19034 275 1 1 . 1 1 61 61 LYS H H 61 8.233 8.233 7.066 1.167 19034 276 1 1 . 1 1 62 62 ILE N N 62 118.312 118.312 118.124 0.188 19034 277 1 1 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.431 -0.135 19034 278 1 1 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.452 -2.066 19034 279 1 1 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.937 -2.934 19034 280 1 1 . 1 1 62 62 ILE H H 62 7.272 7.272 7.891 -0.619 19034 281 1 1 . 1 1 63 63 PHE N N 63 125.445 125.445 122.876 2.569 19034 282 1 1 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.599 -0.299 19034 283 1 1 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.099 -2.606 19034 284 1 1 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.465 -1.674 19034 285 1 1 . 1 1 63 63 PHE H H 63 8.876 8.876 8.626 0.250 19034 286 1 1 . 1 1 64 64 VAL N N 64 122.504 122.504 120.410 2.094 19034 287 1 1 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.793 -0.473 19034 288 1 1 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.257 -2.729 19034 289 1 1 . 1 1 64 64 VAL CB C 64 32.571 32.571 35.861 -3.290 19034 290 1 1 . 1 1 64 64 VAL H H 64 9.161 9.161 9.384 -0.223 19034 291 1 1 . 1 1 65 65 GLU N N 65 127.687 127.687 122.319 5.368 19034 292 1 1 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.872 -0.195 19034 293 1 1 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.661 -3.216 19034 294 1 1 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.931 -4.372 19034 295 1 1 . 1 1 65 65 GLU H H 65 8.601 8.601 8.913 -0.312 19034 296 1 1 . 1 1 66 66 PHE N N 66 126.672 126.672 123.198 3.474 19034 297 1 1 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.362 -0.269 19034 298 1 1 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.888 -1.703 19034 299 1 1 . 1 1 66 66 PHE CB C 66 39.141 39.141 41.960 -2.819 19034 300 1 1 . 1 1 66 66 PHE H H 66 9.352 9.352 8.837 0.515 19034 301 1 1 . 1 1 67 67 THR N N 67 109.616 109.616 114.681 -5.065 19034 302 1 1 . 1 1 67 67 THR HA H 67 4.248 4.248 4.620 -0.372 19034 303 1 1 . 1 1 67 67 THR CA C 67 60.963 60.963 61.493 -0.530 19034 304 1 1 . 1 1 67 67 THR CB C 67 66.974 66.974 69.144 -2.170 19034 305 1 1 . 1 1 67 67 THR H H 67 9.072 9.072 8.520 0.552 19034 306 1 1 . 1 1 68 68 SER N N 68 111.776 111.776 114.005 -2.229 19034 307 1 1 . 1 1 68 68 SER HA H 68 4.922 4.922 4.872 0.050 19034 308 1 1 . 1 1 68 68 SER CA C 68 53.411 53.411 57.098 -3.687 19034 309 1 1 . 1 1 68 68 SER CB C 68 63.507 63.507 65.904 -2.397 19034 310 1 1 . 1 1 68 68 SER H H 68 7.511 7.511 7.576 -0.065 19034 311 1 1 . 1 1 69 69 VAL N N 69 123.476 123.476 122.408 1.068 19034 312 1 1 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.857 -0.452 19034 313 1 1 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.807 -3.219 19034 314 1 1 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.628 -2.750 19034 315 1 1 . 1 1 69 69 VAL H H 69 8.854 8.854 8.860 -0.006 19034 316 1 1 . 1 1 70 70 PHE N N 70 119.530 119.530 114.419 5.111 19034 317 1 1 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.603 -0.374 19034 318 1 1 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.392 -2.490 19034 319 1 1 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.583 -2.320 19034 320 1 1 . 1 1 70 70 PHE H H 70 7.673 7.673 8.319 -0.646 19034 321 1 1 . 1 1 71 71 ASP N N 71 120.024 120.024 119.611 0.413 19034 322 1 1 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.598 -0.422 19034 323 1 1 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.814 -2.508 19034 324 1 1 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.124 -3.257 19034 325 1 1 . 1 1 71 71 ASP H H 71 7.585 7.585 7.587 -0.002 19034 326 1 1 . 1 1 72 72 CYS N N 72 119.689 119.689 120.052 -0.363 19034 327 1 1 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.584 0.211 19034 328 1 1 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.568 -5.420 19034 329 1 1 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.152 -1.803 19034 330 1 1 . 1 1 72 72 CYS H H 72 7.087 7.087 7.573 -0.486 19034 331 1 1 . 1 1 73 73 GLN N N 73 117.350 117.350 117.147 0.203 19034 332 1 1 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.054 0.352 19034 333 1 1 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.766 -2.405 19034 334 1 1 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.561 -1.678 19034 335 1 1 . 1 1 73 73 GLN H H 73 8.478 8.478 8.216 0.262 19034 336 1 1 . 1 1 74 74 LYS N N 74 119.692 119.692 119.702 -0.010 19034 337 1 1 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.187 -0.413 19034 338 1 1 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.811 -1.984 19034 339 1 1 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.565 -3.063 19034 340 1 1 . 1 1 74 74 LYS H H 74 7.468 7.468 7.745 -0.277 19034 341 1 1 . 1 1 75 75 ALA N N 75 124.287 124.287 122.817 1.470 19034 342 1 1 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.551 -0.956 19034 343 1 1 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.942 -3.246 19034 344 1 1 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.266 -1.175 19034 345 1 1 . 1 1 75 75 ALA H H 75 7.549 7.549 7.788 -0.239 19034 346 1 1 . 1 1 76 76 MET N N 76 118.919 118.919 117.756 1.163 19034 347 1 1 . 1 1 76 76 MET HA H 76 3.490 3.490 3.898 -0.408 19034 348 1 1 . 1 1 76 76 MET CA C 76 56.956 56.956 58.629 -1.673 19034 349 1 1 . 1 1 76 76 MET CB C 76 28.966 28.966 31.451 -2.485 19034 350 1 1 . 1 1 76 76 MET H H 76 8.700 8.700 8.443 0.257 19034 351 1 1 . 1 1 77 77 GLN N N 77 118.282 118.282 119.682 -1.400 19034 352 1 1 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.141 -0.285 19034 353 1 1 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.137 -2.437 19034 354 1 1 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.906 -3.125 19034 355 1 1 . 1 1 77 77 GLN H H 77 7.798 7.798 7.808 -0.010 19034 356 1 1 . 1 1 78 78 GLY N N 78 106.137 106.137 107.960 -1.823 19034 357 1 1 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.795 -3.047 19034 358 1 1 . 1 1 78 78 GLY H H 78 7.797 7.797 8.208 -0.411 19034 359 1 1 . 1 1 79 79 LEU N N 79 118.753 118.753 118.568 0.185 19034 360 1 1 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.563 -0.373 19034 361 1 1 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.088 0.175 19034 362 1 1 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.266 -1.352 19034 363 1 1 . 1 1 79 79 LEU H H 79 8.039 8.039 7.804 0.235 19034 364 1 1 . 1 1 80 80 THR N N 80 114.360 114.360 117.980 -3.620 19034 365 1 1 . 1 1 80 80 THR HA H 80 3.550 3.550 4.012 -0.462 19034 366 1 1 . 1 1 80 80 THR CA C 80 63.539 63.539 64.950 -1.411 19034 367 1 1 . 1 1 80 80 THR CB C 80 66.102 66.102 68.412 -2.310 19034 368 1 1 . 1 1 80 80 THR H H 80 7.177 7.177 7.508 -0.331 19034 369 1 1 . 1 1 81 81 GLY N N 81 115.554 115.554 115.992 -0.438 19034 370 1 1 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.184 -2.191 19034 371 1 1 . 1 1 81 81 GLY H H 81 8.680 8.680 8.805 -0.125 19034 372 1 1 . 1 1 82 82 ARG N N 82 120.945 120.945 119.695 1.250 19034 373 1 1 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.411 -0.318 19034 374 1 1 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.750 -2.304 19034 375 1 1 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.808 -3.660 19034 376 1 1 . 1 1 82 82 ARG H H 82 7.520 7.520 7.516 0.004 19034 377 1 1 . 1 1 83 83 LYS N N 83 121.584 121.584 119.243 2.341 19034 378 1 1 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.722 0.286 19034 379 1 1 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.149 -2.427 19034 380 1 1 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.414 -1.824 19034 381 1 1 . 1 1 83 83 LYS H H 83 8.165 8.165 8.642 -0.477 19034 382 1 1 . 1 1 84 84 PHE N N 84 125.104 125.104 123.103 2.001 19034 383 1 1 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.509 -0.072 19034 384 1 1 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.498 -1.725 19034 385 1 1 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.623 0.464 19034 386 1 1 . 1 1 84 84 PHE H H 84 8.656 8.656 8.930 -0.274 19034 387 1 1 . 1 1 85 85 ALA N N 85 127.849 127.849 119.644 8.205 19034 388 1 1 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.341 -0.573 19034 389 1 1 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.474 -1.426 19034 390 1 1 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.587 -5.466 19034 391 1 1 . 1 1 85 85 ALA H H 85 8.831 8.831 7.778 1.053 19034 392 1 1 . 1 1 86 86 ASN N N 86 113.065 113.065 116.636 -3.571 19034 393 1 1 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.769 -0.410 19034 394 1 1 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.642 -2.233 19034 395 1 1 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.727 -4.005 19034 396 1 1 . 1 1 86 86 ASN H H 86 8.406 8.406 8.645 -0.239 19034 397 1 1 . 1 1 87 87 ARG N N 87 121.167 121.167 120.034 1.133 19034 398 1 1 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.550 -0.029 19034 399 1 1 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.430 -2.644 19034 400 1 1 . 1 1 87 87 ARG CB C 87 29.880 29.880 30.968 -1.088 19034 401 1 1 . 1 1 87 87 ARG H H 87 8.250 8.250 8.091 0.159 19034 402 1 1 . 1 1 88 88 VAL N N 88 121.437 121.437 119.024 2.413 19034 403 1 1 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.192 0.082 19034 404 1 1 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.065 -2.784 19034 405 1 1 . 1 1 88 88 VAL CB C 88 30.290 30.290 33.127 -2.837 19034 406 1 1 . 1 1 88 88 VAL H H 88 8.279 8.279 8.280 -0.001 19034 407 1 1 . 1 1 89 89 VAL N N 89 127.754 127.754 124.193 3.561 19034 408 1 1 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.395 -0.283 19034 409 1 1 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.584 0.547 19034 410 1 1 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.817 -3.709 19034 411 1 1 . 1 1 89 89 VAL H H 89 8.601 8.601 7.897 0.704 19034 412 1 1 . 1 1 90 90 VAL N N 90 127.874 127.874 126.738 1.136 19034 413 1 1 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.232 0.089 19034 414 1 1 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.693 -2.204 19034 415 1 1 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.840 -1.494 19034 416 1 1 . 1 1 90 90 VAL H H 90 7.866 7.866 7.961 -0.095 19034 417 1 1 . 1 1 91 91 THR N N 91 114.187 114.187 116.355 -2.168 19034 418 1 1 . 1 1 91 91 THR HA H 91 5.528 5.528 5.174 0.354 19034 419 1 1 . 1 1 91 91 THR CA C 91 56.193 56.193 59.188 -2.995 19034 420 1 1 . 1 1 91 91 THR CB C 91 69.553 69.553 71.295 -1.742 19034 421 1 1 . 1 1 91 91 THR H H 91 8.119 8.119 8.145 -0.026 19034 422 1 1 . 1 1 92 92 LYS N N 92 116.111 116.111 120.042 -3.931 19034 423 1 1 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.419 -0.073 19034 424 1 1 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.463 -2.809 19034 425 1 1 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.605 -2.718 19034 426 1 1 . 1 1 92 92 LYS H H 92 8.199 8.199 8.191 0.008 19034 427 1 1 . 1 1 93 93 TYR N N 93 121.017 121.017 119.050 1.967 19034 428 1 1 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.544 0.416 19034 429 1 1 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.412 -3.002 19034 430 1 1 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.443 -2.902 19034 431 1 1 . 1 1 93 93 TYR H H 93 8.450 8.450 8.428 0.022 19034 432 1 1 . 1 1 94 94 CYS N N 94 119.566 119.566 118.524 1.042 19034 433 1 1 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.852 -0.040 19034 434 1 1 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.644 -2.643 19034 435 1 1 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.884 -4.298 19034 436 1 1 . 1 1 94 94 CYS H H 94 8.614 8.614 8.948 -0.334 19034 437 1 1 . 1 1 95 95 ASP N N 95 128.707 128.707 120.212 8.495 19034 438 1 1 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.094 -0.257 19034 439 1 1 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.249 -2.239 19034 440 1 1 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.930 -3.214 19034 441 1 1 . 1 1 95 95 ASP H H 95 8.969 8.969 8.625 0.344 19034 442 1 1 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.565 -2.830 19034 443 1 1 . 1 1 97 97 ASP N N 97 118.102 118.102 119.001 -0.899 19034 444 1 1 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.570 -0.141 19034 445 1 1 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.192 -2.151 19034 446 1 1 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.829 -3.070 19034 447 1 1 . 1 1 97 97 ASP H H 97 8.189 8.189 8.758 -0.569 19034 448 1 1 . 1 1 98 98 SER N N 98 116.394 116.394 112.732 3.662 19034 449 1 1 . 1 1 98 98 SER HA H 98 3.961 3.961 4.258 -0.297 19034 450 1 1 . 1 1 98 98 SER CA C 98 59.519 59.519 60.030 -0.511 19034 451 1 1 . 1 1 98 98 SER H H 98 7.792 7.792 8.031 -0.239 19034 452 1 1 . 1 1 99 99 TYR N N 99 121.890 121.890 124.627 -2.737 19034 453 1 1 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.114 -0.372 19034 454 1 1 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.577 -2.780 19034 455 1 1 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.558 -2.383 19034 456 1 1 . 1 1 99 99 TYR H H 99 7.625 7.625 7.295 0.330 19034 457 1 1 . 1 1 100 100 HIS N N 100 118.065 118.065 114.349 3.716 19034 458 1 1 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.594 -0.464 19034 459 1 1 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.842 -2.234 19034 460 1 1 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.166 -4.372 19034 461 1 1 . 1 1 100 100 HIS H H 100 8.425 8.425 7.964 0.461 19034 462 1 1 . 1 1 101 101 ARG N N 101 116.756 116.756 119.375 -2.619 19034 463 1 1 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.573 -0.472 19034 464 1 1 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.561 -0.920 19034 465 1 1 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.567 -3.458 19034 466 1 1 . 1 1 101 101 ARG H H 101 7.406 7.406 7.380 0.026 19034 467 1 1 . 1 1 102 102 ARG N N 102 115.254 115.254 120.088 -4.834 19034 468 1 1 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.214 -0.914 19034 469 1 1 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.097 -0.511 19034 470 1 1 . 1 1 102 102 ARG CB C 102 25.084 25.084 28.917 -3.833 19034 471 1 1 . 1 1 102 102 ARG H H 102 7.297 7.297 8.369 -1.072 19034 472 1 1 . 1 1 103 103 ASP N N 103 119.588 119.588 120.196 -0.608 19034 473 1 1 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.471 -0.125 19034 474 1 1 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.608 -4.027 19034 475 1 1 . 1 1 103 103 ASP CB C 103 37.749 37.749 41.041 -3.292 19034 476 1 1 . 1 1 103 103 ASP H H 103 7.467 7.467 7.076 0.391 19034 477 1 1 . 1 1 104 104 PHE N N 104 120.438 120.438 118.034 2.404 19034 478 1 1 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.682 -0.342 19034 479 1 1 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.624 -4.923 19034 480 1 1 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.287 -2.445 19034 481 1 1 . 1 1 104 104 PHE H H 104 7.138 7.138 6.932 0.206 19034 482 1 2 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.200 -2.743 19034 483 1 2 . 1 1 3 3 HIS N N 3 118.891 118.891 118.461 0.430 19034 484 1 2 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.600 0.233 19034 485 1 2 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.948 -3.430 19034 486 1 2 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.590 -3.178 19034 487 1 2 . 1 1 3 3 HIS H H 3 8.079 8.079 8.273 -0.194 19034 488 1 2 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.258 -1.242 19034 489 1 2 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.358 -2.391 19034 490 1 2 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.989 -2.051 19034 491 1 2 . 1 1 5 5 THR N N 5 113.236 113.236 115.880 -2.644 19034 492 1 2 . 1 1 5 5 THR HA H 5 4.430 4.430 4.672 -0.242 19034 493 1 2 . 1 1 5 5 THR CA C 5 56.748 56.748 59.862 -3.114 19034 494 1 2 . 1 1 5 5 THR CB C 5 69.859 69.859 71.178 -1.319 19034 495 1 2 . 1 1 5 5 THR H H 5 6.242 6.242 8.283 -2.041 19034 496 1 2 . 1 1 6 6 GLU N N 6 114.417 114.417 119.659 -5.242 19034 497 1 2 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.632 -0.457 19034 498 1 2 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.157 -1.733 19034 499 1 2 . 1 1 6 6 GLU CB C 6 26.129 26.129 28.898 -2.769 19034 500 1 2 . 1 1 6 6 GLU H H 6 10.185 10.185 8.833 1.352 19034 501 1 2 . 1 1 7 7 VAL N N 7 119.290 119.290 112.663 6.627 19034 502 1 2 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.991 0.047 19034 503 1 2 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.119 -0.843 19034 504 1 2 . 1 1 7 7 VAL CB C 7 30.522 30.522 35.486 -4.964 19034 505 1 2 . 1 1 7 7 VAL H H 7 8.270 8.270 7.384 0.886 19034 506 1 2 . 1 1 8 8 LEU N N 8 130.138 130.138 123.062 7.076 19034 507 1 2 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.011 -0.370 19034 508 1 2 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.117 -4.329 19034 509 1 2 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.208 -2.323 19034 510 1 2 . 1 1 8 8 LEU H H 8 9.316 9.316 8.743 0.573 19034 511 1 2 . 1 1 9 9 CYS N N 9 123.769 123.769 126.388 -2.619 19034 512 1 2 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.947 0.092 19034 513 1 2 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.592 -4.344 19034 514 1 2 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.818 -2.590 19034 515 1 2 . 1 1 9 9 CYS H H 9 8.902 8.902 9.039 -0.137 19034 516 1 2 . 1 1 10 10 LEU N N 10 127.313 127.313 128.648 -1.335 19034 517 1 2 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.014 -0.430 19034 518 1 2 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.258 -1.890 19034 519 1 2 . 1 1 10 10 LEU CB C 10 40.709 40.709 44.271 -3.562 19034 520 1 2 . 1 1 10 10 LEU H H 10 9.203 9.203 8.934 0.269 19034 521 1 2 . 1 1 11 11 MET N N 11 124.158 124.158 120.689 3.469 19034 522 1 2 . 1 1 11 11 MET HA H 11 4.481 4.481 4.732 -0.251 19034 523 1 2 . 1 1 11 11 MET CA C 11 52.655 52.655 54.733 -2.078 19034 524 1 2 . 1 1 11 11 MET CB C 11 33.156 33.156 36.486 -3.329 19034 525 1 2 . 1 1 11 11 MET H H 11 9.161 9.161 7.898 1.263 19034 526 1 2 . 1 1 12 12 ASN N N 12 114.067 114.067 113.702 0.365 19034 527 1 2 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.338 -0.057 19034 528 1 2 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.825 -3.140 19034 529 1 2 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.868 -1.554 19034 530 1 2 . 1 1 12 12 ASN H H 12 8.842 8.842 9.026 -0.184 19034 531 1 2 . 1 1 13 13 MET N N 13 118.202 118.202 115.817 2.385 19034 532 1 2 . 1 1 13 13 MET HA H 13 3.952 3.952 4.315 -0.363 19034 533 1 2 . 1 1 13 13 MET CA C 13 55.132 55.132 58.151 -3.019 19034 534 1 2 . 1 1 13 13 MET CB C 13 31.944 31.944 33.398 -1.454 19034 535 1 2 . 1 1 13 13 MET H H 13 8.519 8.519 8.294 0.225 19034 536 1 2 . 1 1 14 14 VAL N N 14 110.436 110.436 112.393 -1.957 19034 537 1 2 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.421 0.031 19034 538 1 2 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.380 -4.559 19034 539 1 2 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.812 -2.058 19034 540 1 2 . 1 1 14 14 VAL H H 14 6.949 6.949 7.466 -0.517 19034 541 1 2 . 1 1 15 15 LEU N N 15 123.248 123.248 119.041 4.207 19034 542 1 2 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.881 -0.102 19034 543 1 2 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.700 -2.819 19034 544 1 2 . 1 1 15 15 LEU CB C 15 39.500 39.500 43.302 -3.802 19034 545 1 2 . 1 1 15 15 LEU H H 15 8.346 8.346 8.258 0.088 19034 546 1 2 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.373 -0.490 19034 547 1 2 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.498 -8.392 19034 548 1 2 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.060 -2.547 19034 549 1 2 . 1 1 17 17 GLU N N 17 119.496 119.496 114.436 5.060 19034 550 1 2 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.497 -0.386 19034 551 1 2 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.495 -2.000 19034 552 1 2 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.275 -2.387 19034 553 1 2 . 1 1 17 17 GLU H H 17 7.754 7.754 8.262 -0.508 19034 554 1 2 . 1 1 18 18 GLU N N 18 112.697 112.697 119.108 -6.411 19034 555 1 2 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.571 -0.593 19034 556 1 2 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.856 0.429 19034 557 1 2 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.982 -4.906 19034 558 1 2 . 1 1 18 18 GLU H H 18 8.975 8.975 7.812 1.163 19034 559 1 2 . 1 1 19 19 LEU N N 19 113.096 113.096 122.380 -9.284 19034 560 1 2 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.558 -0.139 19034 561 1 2 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.538 -3.590 19034 562 1 2 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.886 -0.543 19034 563 1 2 . 1 1 19 19 LEU H H 19 7.266 7.266 8.191 -0.925 19034 564 1 2 . 1 1 20 20 LEU N N 20 119.130 119.130 119.125 0.005 19034 565 1 2 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.431 -0.393 19034 566 1 2 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.339 -0.337 19034 567 1 2 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.943 -3.677 19034 568 1 2 . 1 1 20 20 LEU H H 20 7.102 7.102 7.800 -0.698 19034 569 1 2 . 1 1 21 21 ASP N N 21 120.713 120.713 120.928 -0.215 19034 570 1 2 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.582 0.025 19034 571 1 2 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.283 -4.477 19034 572 1 2 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.773 -1.206 19034 573 1 2 . 1 1 21 21 ASP H H 21 8.071 8.071 7.861 0.210 19034 574 1 2 . 1 1 22 22 ASP N N 22 126.353 126.353 119.626 6.727 19034 575 1 2 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.578 -0.336 19034 576 1 2 . 1 1 22 22 ASP CA C 22 55.650 55.650 54.776 0.874 19034 577 1 2 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.217 -3.134 19034 578 1 2 . 1 1 22 22 ASP H H 22 8.835 8.835 8.474 0.361 19034 579 1 2 . 1 1 23 23 GLU N N 23 119.623 119.623 117.290 2.333 19034 580 1 2 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.343 -0.277 19034 581 1 2 . 1 1 23 23 GLU CA C 23 56.840 56.840 56.922 -0.082 19034 582 1 2 . 1 1 23 23 GLU CB C 23 26.412 26.412 30.002 -3.590 19034 583 1 2 . 1 1 23 23 GLU H H 23 8.177 8.177 8.128 0.049 19034 584 1 2 . 1 1 24 24 GLU N N 24 121.959 121.959 120.187 1.772 19034 585 1 2 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.218 -0.222 19034 586 1 2 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.522 -2.161 19034 587 1 2 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.443 -2.986 19034 588 1 2 . 1 1 24 24 GLU H H 24 8.218 8.218 8.581 -0.363 19034 589 1 2 . 1 1 25 25 TYR N N 25 119.522 119.522 120.024 -0.502 19034 590 1 2 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.138 -0.187 19034 591 1 2 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.454 -1.807 19034 592 1 2 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.260 -2.255 19034 593 1 2 . 1 1 25 25 TYR H H 25 8.694 8.694 8.307 0.387 19034 594 1 2 . 1 1 26 26 GLU N N 26 116.410 116.410 117.357 -0.947 19034 595 1 2 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.098 -0.396 19034 596 1 2 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.823 -3.494 19034 597 1 2 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.228 -3.050 19034 598 1 2 . 1 1 26 26 GLU H H 26 7.852 7.852 8.675 -0.823 19034 599 1 2 . 1 1 27 27 GLU N N 27 118.895 118.895 120.036 -1.141 19034 600 1 2 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.023 -0.102 19034 601 1 2 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.069 -2.624 19034 602 1 2 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.448 -3.208 19034 603 1 2 . 1 1 27 27 GLU H H 27 7.555 7.555 7.624 -0.069 19034 604 1 2 . 1 1 28 28 ILE N N 28 121.720 121.720 118.006 3.714 19034 605 1 2 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.726 -0.084 19034 606 1 2 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.456 -2.101 19034 607 1 2 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.615 -2.549 19034 608 1 2 . 1 1 28 28 ILE H H 28 7.918 7.918 7.737 0.181 19034 609 1 2 . 1 1 29 29 VAL N N 29 119.336 119.336 119.067 0.269 19034 610 1 2 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.678 -0.643 19034 611 1 2 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.556 -1.949 19034 612 1 2 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.598 -2.534 19034 613 1 2 . 1 1 29 29 VAL H H 29 7.832 7.832 7.039 0.793 19034 614 1 2 . 1 1 30 30 GLU N N 30 116.291 116.291 119.606 -3.315 19034 615 1 2 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.003 -0.126 19034 616 1 2 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.517 -3.456 19034 617 1 2 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.070 -2.958 19034 618 1 2 . 1 1 30 30 GLU H H 30 7.405 7.405 7.502 -0.097 19034 619 1 2 . 1 1 31 31 ASP N N 31 120.811 120.811 120.044 0.767 19034 620 1 2 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.290 0.084 19034 621 1 2 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.451 -2.919 19034 622 1 2 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.614 -3.329 19034 623 1 2 . 1 1 31 31 ASP H H 31 8.471 8.471 8.644 -0.173 19034 624 1 2 . 1 1 32 32 VAL N N 32 121.006 121.006 118.704 2.302 19034 625 1 2 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.391 0.020 19034 626 1 2 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.421 -1.206 19034 627 1 2 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.240 -2.695 19034 628 1 2 . 1 1 32 32 VAL H H 32 8.655 8.655 7.323 1.332 19034 629 1 2 . 1 1 33 33 ARG N N 33 122.143 122.143 120.802 1.341 19034 630 1 2 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.891 -0.398 19034 631 1 2 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.902 -1.471 19034 632 1 2 . 1 1 33 33 ARG CB C 33 27.232 27.232 30.002 -2.770 19034 633 1 2 . 1 1 33 33 ARG H H 33 8.507 8.507 7.550 0.957 19034 634 1 2 . 1 1 34 34 ASP N N 34 120.971 120.971 118.197 2.774 19034 635 1 2 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.440 -0.184 19034 636 1 2 . 1 1 34 34 ASP CA C 34 55.100 55.100 56.882 -1.782 19034 637 1 2 . 1 1 34 34 ASP CB C 34 38.076 38.076 41.004 -2.928 19034 638 1 2 . 1 1 34 34 ASP H H 34 8.633 8.633 7.946 0.687 19034 639 1 2 . 1 1 35 35 GLU N N 35 119.918 119.918 118.986 0.932 19034 640 1 2 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.154 -0.090 19034 641 1 2 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.863 -2.432 19034 642 1 2 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.230 -2.370 19034 643 1 2 . 1 1 35 35 GLU H H 35 8.184 8.184 8.084 0.100 19034 644 1 2 . 1 1 36 36 CYS N N 36 114.288 114.288 118.379 -4.091 19034 645 1 2 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.494 -0.120 19034 646 1 2 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.740 0.802 19034 647 1 2 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.383 -2.473 19034 648 1 2 . 1 1 36 36 CYS H H 36 8.584 8.584 8.322 0.262 19034 649 1 2 . 1 1 37 37 SER N N 37 114.987 114.987 116.407 -1.420 19034 650 1 2 . 1 1 37 37 SER HA H 37 5.135 5.135 4.335 0.800 19034 651 1 2 . 1 1 37 37 SER CA C 37 58.124 58.124 60.953 -2.829 19034 652 1 2 . 1 1 37 37 SER CB C 37 60.481 60.481 62.979 -2.498 19034 653 1 2 . 1 1 37 37 SER H H 37 8.164 8.164 7.941 0.223 19034 654 1 2 . 1 1 38 38 LYS N N 38 119.574 119.574 118.850 0.724 19034 655 1 2 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.090 -0.286 19034 656 1 2 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.297 -2.807 19034 657 1 2 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.935 -3.564 19034 658 1 2 . 1 1 38 38 LYS H H 38 7.111 7.111 7.831 -0.720 19034 659 1 2 . 1 1 39 39 TYR N N 39 116.372 116.372 116.836 -0.464 19034 660 1 2 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.669 -0.365 19034 661 1 2 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.351 -2.427 19034 662 1 2 . 1 1 39 39 TYR CB C 39 37.122 37.122 40.603 -3.481 19034 663 1 2 . 1 1 39 39 TYR H H 39 7.576 7.576 8.103 -0.527 19034 664 1 2 . 1 1 40 40 GLY N N 40 103.718 103.718 105.664 -1.946 19034 665 1 2 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.824 -3.638 19034 666 1 2 . 1 1 40 40 GLY H H 40 7.380 7.380 7.768 -0.388 19034 667 1 2 . 1 1 41 41 LEU N N 41 118.877 118.877 121.704 -2.827 19034 668 1 2 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.975 -0.643 19034 669 1 2 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.242 -1.172 19034 670 1 2 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.257 -5.298 19034 671 1 2 . 1 1 41 41 LEU H H 41 8.260 8.260 8.494 -0.234 19034 672 1 2 . 1 1 42 42 VAL N N 42 127.032 127.032 126.102 0.930 19034 673 1 2 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.921 -0.414 19034 674 1 2 . 1 1 42 42 VAL CA C 42 59.948 59.948 61.415 -1.467 19034 675 1 2 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.650 -2.648 19034 676 1 2 . 1 1 42 42 VAL H H 42 8.598 8.598 8.481 0.117 19034 677 1 2 . 1 1 43 43 LYS N N 43 130.977 130.977 129.129 1.848 19034 678 1 2 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.042 0.084 19034 679 1 2 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.153 -3.131 19034 680 1 2 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.075 -0.982 19034 681 1 2 . 1 1 43 43 LYS H H 43 9.307 9.307 8.604 0.703 19034 682 1 2 . 1 1 44 44 SER N N 44 110.453 110.453 108.644 1.809 19034 683 1 2 . 1 1 44 44 SER HA H 44 4.492 4.492 4.676 -0.184 19034 684 1 2 . 1 1 44 44 SER CA C 44 55.890 55.890 57.416 -1.526 19034 685 1 2 . 1 1 44 44 SER CB C 44 62.940 62.940 66.124 -3.184 19034 686 1 2 . 1 1 44 44 SER H H 44 7.938 7.938 7.524 0.414 19034 687 1 2 . 1 1 45 45 ILE N N 45 118.542 118.542 119.834 -1.292 19034 688 1 2 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.696 0.354 19034 689 1 2 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.469 -2.938 19034 690 1 2 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.437 -1.117 19034 691 1 2 . 1 1 45 45 ILE H H 45 8.136 8.136 8.361 -0.225 19034 692 1 2 . 1 1 46 46 GLU N N 46 125.456 125.456 125.594 -0.138 19034 693 1 2 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.710 -0.010 19034 694 1 2 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.956 -2.489 19034 695 1 2 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.474 -1.711 19034 696 1 2 . 1 1 46 46 GLU H H 46 9.364 9.364 9.130 0.234 19034 697 1 2 . 1 1 47 47 ILE N N 47 122.471 122.471 126.861 -4.390 19034 698 1 2 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.560 0.145 19034 699 1 2 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.501 -2.166 19034 700 1 2 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.015 -2.227 19034 701 1 2 . 1 1 47 47 ILE H H 47 8.672 8.672 8.595 0.077 19034 702 1 2 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.912 -2.036 19034 703 1 2 . 1 1 49 49 ARG N N 49 120.907 120.907 123.851 -2.944 19034 704 1 2 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.803 -0.096 19034 705 1 2 . 1 1 49 49 ARG CB C 49 29.928 29.928 29.331 0.598 19034 706 1 2 . 1 1 49 49 ARG H H 49 7.944 7.944 8.291 -0.347 19034 707 1 2 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.293 0.099 19034 708 1 2 . 1 1 50 50 PRO CA C 50 60.628 60.628 63.330 -2.702 19034 709 1 2 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.458 -2.832 19034 710 1 2 . 1 1 51 51 VAL N N 51 121.425 121.425 119.697 1.728 19034 711 1 2 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.264 -0.277 19034 712 1 2 . 1 1 51 51 VAL CA C 51 58.857 58.857 60.338 -1.481 19034 713 1 2 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.622 -1.384 19034 714 1 2 . 1 1 51 51 VAL H H 51 7.992 7.992 8.611 -0.619 19034 715 1 2 . 1 1 52 52 ASP N N 52 127.160 127.160 125.533 1.627 19034 716 1 2 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.499 -0.262 19034 717 1 2 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.222 -1.934 19034 718 1 2 . 1 1 52 52 ASP CB C 52 37.950 37.950 39.164 -1.214 19034 719 1 2 . 1 1 52 52 ASP H H 52 8.746 8.746 8.546 0.200 19034 720 1 2 . 1 1 53 53 GLY N N 53 108.483 108.483 111.606 -3.123 19034 721 1 2 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.013 -2.039 19034 722 1 2 . 1 1 53 53 GLY H H 53 8.589 8.589 8.451 0.138 19034 723 1 2 . 1 1 54 54 VAL N N 54 120.874 120.874 121.789 -0.915 19034 724 1 2 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.365 -0.206 19034 725 1 2 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.041 -1.552 19034 726 1 2 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.511 -1.478 19034 727 1 2 . 1 1 54 54 VAL H H 54 7.804 7.804 7.071 0.733 19034 728 1 2 . 1 1 55 55 GLU N N 55 126.140 126.140 126.215 -0.075 19034 729 1 2 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.252 -0.079 19034 730 1 2 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.471 -2.775 19034 731 1 2 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.143 -3.383 19034 732 1 2 . 1 1 55 55 GLU H H 55 8.578 8.578 8.594 -0.016 19034 733 1 2 . 1 1 56 56 VAL N N 56 124.648 124.648 115.022 9.626 19034 734 1 2 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.619 -0.264 19034 735 1 2 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.447 -1.377 19034 736 1 2 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.068 -3.262 19034 737 1 2 . 1 1 56 56 VAL H H 56 7.661 7.661 7.969 -0.308 19034 738 1 2 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.504 -0.387 19034 739 1 2 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.441 -2.200 19034 740 1 2 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.152 -2.907 19034 741 1 2 . 1 1 58 58 GLY N N 58 109.755 109.755 111.754 -1.999 19034 742 1 2 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.638 -2.791 19034 743 1 2 . 1 1 58 58 GLY H H 58 8.577 8.577 8.685 -0.108 19034 744 1 2 . 1 1 59 59 CYS N N 59 118.400 118.400 118.680 -0.280 19034 745 1 2 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.288 -0.233 19034 746 1 2 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.011 -0.687 19034 747 1 2 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.659 -4.481 19034 748 1 2 . 1 1 59 59 CYS H H 59 7.631 7.631 7.621 0.010 19034 749 1 2 . 1 1 60 60 GLY N N 60 119.002 119.002 113.671 5.331 19034 750 1 2 . 1 1 60 60 GLY CA C 60 42.139 42.139 46.123 -3.984 19034 751 1 2 . 1 1 60 60 GLY H H 60 10.447 10.447 8.960 1.487 19034 752 1 2 . 1 1 61 61 LYS N N 61 122.250 122.250 121.223 1.027 19034 753 1 2 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.051 0.280 19034 754 1 2 . 1 1 61 61 LYS CA C 61 52.944 52.944 56.833 -3.889 19034 755 1 2 . 1 1 61 61 LYS CB C 61 33.173 33.173 32.883 0.290 19034 756 1 2 . 1 1 61 61 LYS H H 61 8.233 8.233 7.309 0.924 19034 757 1 2 . 1 1 62 62 ILE N N 62 118.312 118.312 117.524 0.788 19034 758 1 2 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.414 -0.118 19034 759 1 2 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.243 -1.857 19034 760 1 2 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.078 -3.075 19034 761 1 2 . 1 1 62 62 ILE H H 62 7.272 7.272 8.002 -0.730 19034 762 1 2 . 1 1 63 63 PHE N N 63 125.445 125.445 121.646 3.799 19034 763 1 2 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.661 -0.361 19034 764 1 2 . 1 1 63 63 PHE CA C 63 53.494 53.494 55.914 -2.420 19034 765 1 2 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.411 -2.620 19034 766 1 2 . 1 1 63 63 PHE H H 63 8.876 8.876 8.491 0.385 19034 767 1 2 . 1 1 64 64 VAL N N 64 122.504 122.504 118.295 4.209 19034 768 1 2 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.977 -0.657 19034 769 1 2 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.648 -1.121 19034 770 1 2 . 1 1 64 64 VAL CB C 64 32.571 32.571 35.861 -3.290 19034 771 1 2 . 1 1 64 64 VAL H H 64 9.161 9.161 9.054 0.107 19034 772 1 2 . 1 1 65 65 GLU N N 65 127.687 127.687 122.534 5.153 19034 773 1 2 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.982 -0.305 19034 774 1 2 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.190 -2.745 19034 775 1 2 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.527 -4.968 19034 776 1 2 . 1 1 65 65 GLU H H 65 8.601 8.601 8.496 0.105 19034 777 1 2 . 1 1 66 66 PHE N N 66 126.672 126.672 123.400 3.272 19034 778 1 2 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.323 -0.230 19034 779 1 2 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.226 -1.041 19034 780 1 2 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.345 -3.204 19034 781 1 2 . 1 1 66 66 PHE H H 66 9.352 9.352 9.125 0.227 19034 782 1 2 . 1 1 67 67 THR N N 67 109.616 109.616 112.270 -2.654 19034 783 1 2 . 1 1 67 67 THR HA H 67 4.248 4.248 4.410 -0.162 19034 784 1 2 . 1 1 67 67 THR CA C 67 60.963 60.963 63.072 -2.109 19034 785 1 2 . 1 1 67 67 THR CB C 67 66.974 66.974 69.335 -2.361 19034 786 1 2 . 1 1 67 67 THR H H 67 9.072 9.072 9.016 0.056 19034 787 1 2 . 1 1 68 68 SER N N 68 111.776 111.776 113.752 -1.976 19034 788 1 2 . 1 1 68 68 SER HA H 68 4.922 4.922 4.955 -0.033 19034 789 1 2 . 1 1 68 68 SER CA C 68 53.411 53.411 55.864 -2.453 19034 790 1 2 . 1 1 68 68 SER CB C 68 63.507 63.507 65.391 -1.884 19034 791 1 2 . 1 1 68 68 SER H H 68 7.511 7.511 8.416 -0.905 19034 792 1 2 . 1 1 69 69 VAL N N 69 123.476 123.476 122.771 0.705 19034 793 1 2 . 1 1 69 69 VAL HA H 69 3.405 3.405 4.104 -0.699 19034 794 1 2 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.074 -2.486 19034 795 1 2 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.980 -3.102 19034 796 1 2 . 1 1 69 69 VAL H H 69 8.854 8.854 8.755 0.099 19034 797 1 2 . 1 1 70 70 PHE N N 70 119.530 119.530 119.301 0.229 19034 798 1 2 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.248 -0.019 19034 799 1 2 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.984 -4.082 19034 800 1 2 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.873 -2.610 19034 801 1 2 . 1 1 70 70 PHE H H 70 7.673 7.673 7.822 -0.149 19034 802 1 2 . 1 1 71 71 ASP N N 71 120.024 120.024 118.315 1.709 19034 803 1 2 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.424 -0.248 19034 804 1 2 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.294 -1.988 19034 805 1 2 . 1 1 71 71 ASP CB C 71 37.867 37.867 39.719 -1.852 19034 806 1 2 . 1 1 71 71 ASP H H 71 7.585 7.585 8.531 -0.946 19034 807 1 2 . 1 1 72 72 CYS N N 72 119.689 119.689 120.193 -0.504 19034 808 1 2 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.295 0.501 19034 809 1 2 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.495 -5.348 19034 810 1 2 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.023 -1.674 19034 811 1 2 . 1 1 72 72 CYS H H 72 7.087 7.087 7.414 -0.327 19034 812 1 2 . 1 1 73 73 GLN N N 73 117.350 117.350 117.169 0.181 19034 813 1 2 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.050 0.356 19034 814 1 2 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.668 -2.307 19034 815 1 2 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.499 -1.616 19034 816 1 2 . 1 1 73 73 GLN H H 73 8.478 8.478 8.317 0.161 19034 817 1 2 . 1 1 74 74 LYS N N 74 119.692 119.692 119.276 0.416 19034 818 1 2 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.138 -0.364 19034 819 1 2 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.741 -1.914 19034 820 1 2 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.427 -2.925 19034 821 1 2 . 1 1 74 74 LYS H H 74 7.468 7.468 7.435 0.033 19034 822 1 2 . 1 1 75 75 ALA N N 75 124.287 124.287 122.770 1.517 19034 823 1 2 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.920 -1.325 19034 824 1 2 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.911 -3.215 19034 825 1 2 . 1 1 75 75 ALA CB C 75 17.091 17.091 17.978 -0.887 19034 826 1 2 . 1 1 75 75 ALA H H 75 7.549 7.549 7.470 0.079 19034 827 1 2 . 1 1 76 76 MET N N 76 118.919 118.919 118.321 0.598 19034 828 1 2 . 1 1 76 76 MET HA H 76 3.490 3.490 3.749 -0.259 19034 829 1 2 . 1 1 76 76 MET CA C 76 56.956 56.956 59.713 -2.757 19034 830 1 2 . 1 1 76 76 MET CB C 76 28.966 28.966 32.425 -3.459 19034 831 1 2 . 1 1 76 76 MET H H 76 8.700 8.700 8.017 0.683 19034 832 1 2 . 1 1 77 77 GLN N N 77 118.282 118.282 114.813 3.469 19034 833 1 2 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.214 -0.358 19034 834 1 2 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.226 -1.526 19034 835 1 2 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.917 -3.136 19034 836 1 2 . 1 1 77 77 GLN H H 77 7.798 7.798 8.044 -0.246 19034 837 1 2 . 1 1 78 78 GLY N N 78 106.137 106.137 107.318 -1.181 19034 838 1 2 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.886 -3.138 19034 839 1 2 . 1 1 78 78 GLY H H 78 7.797 7.797 7.839 -0.042 19034 840 1 2 . 1 1 79 79 LEU N N 79 118.753 118.753 117.202 1.551 19034 841 1 2 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.468 -0.278 19034 842 1 2 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.536 -0.273 19034 843 1 2 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.322 -1.408 19034 844 1 2 . 1 1 79 79 LEU H H 79 8.039 8.039 8.065 -0.026 19034 845 1 2 . 1 1 80 80 THR N N 80 114.360 114.360 117.082 -2.722 19034 846 1 2 . 1 1 80 80 THR HA H 80 3.550 3.550 3.885 -0.335 19034 847 1 2 . 1 1 80 80 THR CA C 80 63.539 63.539 65.326 -1.787 19034 848 1 2 . 1 1 80 80 THR CB C 80 66.102 66.102 67.968 -1.866 19034 849 1 2 . 1 1 80 80 THR H H 80 7.177 7.177 7.446 -0.269 19034 850 1 2 . 1 1 81 81 GLY N N 81 115.554 115.554 116.086 -0.532 19034 851 1 2 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.928 -1.935 19034 852 1 2 . 1 1 81 81 GLY H H 81 8.680 8.680 8.821 -0.141 19034 853 1 2 . 1 1 82 82 ARG N N 82 120.945 120.945 122.020 -1.075 19034 854 1 2 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.372 -0.279 19034 855 1 2 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.217 -2.771 19034 856 1 2 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.383 -3.235 19034 857 1 2 . 1 1 82 82 ARG H H 82 7.520 7.520 7.790 -0.270 19034 858 1 2 . 1 1 83 83 LYS N N 83 121.584 121.584 118.569 3.015 19034 859 1 2 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.202 -0.194 19034 860 1 2 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.538 -2.816 19034 861 1 2 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.623 -3.033 19034 862 1 2 . 1 1 83 83 LYS H H 83 8.165 8.165 8.309 -0.144 19034 863 1 2 . 1 1 84 84 PHE N N 84 125.104 125.104 122.817 2.287 19034 864 1 2 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.698 -0.261 19034 865 1 2 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.000 -1.227 19034 866 1 2 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.205 -0.118 19034 867 1 2 . 1 1 84 84 PHE H H 84 8.656 8.656 9.231 -0.575 19034 868 1 2 . 1 1 85 85 ALA N N 85 127.849 127.849 120.530 7.319 19034 869 1 2 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.309 -0.541 19034 870 1 2 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.931 -1.883 19034 871 1 2 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.384 -5.263 19034 872 1 2 . 1 1 85 85 ALA H H 85 8.831 8.831 7.877 0.954 19034 873 1 2 . 1 1 86 86 ASN N N 86 113.065 113.065 116.437 -3.372 19034 874 1 2 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.765 -0.406 19034 875 1 2 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.742 -2.333 19034 876 1 2 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.152 -4.430 19034 877 1 2 . 1 1 86 86 ASN H H 86 8.406 8.406 8.604 -0.198 19034 878 1 2 . 1 1 87 87 ARG N N 87 121.167 121.167 120.484 0.683 19034 879 1 2 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.592 -0.071 19034 880 1 2 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.670 -1.884 19034 881 1 2 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.314 -2.434 19034 882 1 2 . 1 1 87 87 ARG H H 87 8.250 8.250 8.131 0.119 19034 883 1 2 . 1 1 88 88 VAL N N 88 121.437 121.437 121.252 0.185 19034 884 1 2 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.318 -0.044 19034 885 1 2 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.587 -3.306 19034 886 1 2 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.187 -1.897 19034 887 1 2 . 1 1 88 88 VAL H H 88 8.279 8.279 8.361 -0.082 19034 888 1 2 . 1 1 89 89 VAL N N 89 127.754 127.754 126.861 0.893 19034 889 1 2 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.401 -0.289 19034 890 1 2 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.161 0.970 19034 891 1 2 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.753 -3.645 19034 892 1 2 . 1 1 89 89 VAL H H 89 8.601 8.601 8.703 -0.102 19034 893 1 2 . 1 1 90 90 VAL N N 90 127.874 127.874 126.254 1.620 19034 894 1 2 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.443 -0.122 19034 895 1 2 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.804 -1.315 19034 896 1 2 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.666 -1.320 19034 897 1 2 . 1 1 90 90 VAL H H 90 7.866 7.866 8.056 -0.190 19034 898 1 2 . 1 1 91 91 THR N N 91 114.187 114.187 122.345 -8.158 19034 899 1 2 . 1 1 91 91 THR HA H 91 5.528 5.528 4.647 0.881 19034 900 1 2 . 1 1 91 91 THR CA C 91 56.193 56.193 61.620 -5.427 19034 901 1 2 . 1 1 91 91 THR CB C 91 69.553 69.553 69.776 -0.223 19034 902 1 2 . 1 1 91 91 THR H H 91 8.119 8.119 8.414 -0.295 19034 903 1 2 . 1 1 92 92 LYS N N 92 116.111 116.111 123.618 -7.507 19034 904 1 2 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.611 -0.265 19034 905 1 2 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.892 -2.238 19034 906 1 2 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.307 -3.420 19034 907 1 2 . 1 1 92 92 LYS H H 92 8.199 8.199 8.358 -0.159 19034 908 1 2 . 1 1 93 93 TYR N N 93 121.017 121.017 119.157 1.860 19034 909 1 2 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.637 0.323 19034 910 1 2 . 1 1 93 93 TYR CA C 93 56.410 56.410 60.027 -3.617 19034 911 1 2 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.373 -2.833 19034 912 1 2 . 1 1 93 93 TYR H H 93 8.450 8.450 8.514 -0.064 19034 913 1 2 . 1 1 94 94 CYS N N 94 119.566 119.566 118.101 1.465 19034 914 1 2 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.881 -0.069 19034 915 1 2 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.245 -3.244 19034 916 1 2 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.710 -3.124 19034 917 1 2 . 1 1 94 94 CYS H H 94 8.614 8.614 8.779 -0.165 19034 918 1 2 . 1 1 95 95 ASP N N 95 128.707 128.707 120.915 7.792 19034 919 1 2 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.023 -0.186 19034 920 1 2 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.682 -2.672 19034 921 1 2 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.427 -2.711 19034 922 1 2 . 1 1 95 95 ASP H H 95 8.969 8.969 8.515 0.454 19034 923 1 2 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.465 -2.730 19034 924 1 2 . 1 1 97 97 ASP N N 97 118.102 118.102 119.183 -1.081 19034 925 1 2 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.462 -0.033 19034 926 1 2 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.887 -2.846 19034 927 1 2 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.463 -2.704 19034 928 1 2 . 1 1 97 97 ASP H H 97 8.189 8.189 8.730 -0.541 19034 929 1 2 . 1 1 98 98 SER N N 98 116.394 116.394 115.486 0.908 19034 930 1 2 . 1 1 98 98 SER HA H 98 3.961 3.961 4.234 -0.273 19034 931 1 2 . 1 1 98 98 SER CA C 98 59.519 59.519 60.558 -1.039 19034 932 1 2 . 1 1 98 98 SER H H 98 7.792 7.792 8.260 -0.468 19034 933 1 2 . 1 1 99 99 TYR N N 99 121.890 121.890 124.066 -2.176 19034 934 1 2 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.164 -0.422 19034 935 1 2 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.451 -2.654 19034 936 1 2 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.471 -2.296 19034 937 1 2 . 1 1 99 99 TYR H H 99 7.625 7.625 7.326 0.299 19034 938 1 2 . 1 1 100 100 HIS N N 100 118.065 118.065 115.786 2.279 19034 939 1 2 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.450 -0.320 19034 940 1 2 . 1 1 100 100 HIS CA C 100 55.608 55.608 59.164 -3.556 19034 941 1 2 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.167 -4.373 19034 942 1 2 . 1 1 100 100 HIS H H 100 8.425 8.425 7.840 0.585 19034 943 1 2 . 1 1 101 101 ARG N N 101 116.756 116.756 118.638 -1.882 19034 944 1 2 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.538 -0.437 19034 945 1 2 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.900 -1.259 19034 946 1 2 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.373 -3.264 19034 947 1 2 . 1 1 101 101 ARG H H 101 7.406 7.406 7.492 -0.086 19034 948 1 2 . 1 1 102 102 ARG N N 102 115.254 115.254 118.360 -3.106 19034 949 1 2 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.285 -0.985 19034 950 1 2 . 1 1 102 102 ARG CA C 102 53.586 53.586 53.880 -0.294 19034 951 1 2 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.190 -4.106 19034 952 1 2 . 1 1 102 102 ARG H H 102 7.297 7.297 8.256 -0.959 19034 953 1 2 . 1 1 103 103 ASP N N 103 119.588 119.588 120.134 -0.546 19034 954 1 2 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.563 -0.217 19034 955 1 2 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.572 -3.991 19034 956 1 2 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.998 -3.249 19034 957 1 2 . 1 1 103 103 ASP H H 103 7.467 7.467 7.082 0.385 19034 958 1 2 . 1 1 104 104 PHE N N 104 120.438 120.438 118.632 1.806 19034 959 1 2 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.417 -0.077 19034 960 1 2 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.381 -5.680 19034 961 1 2 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.040 -2.198 19034 962 1 2 . 1 1 104 104 PHE H H 104 7.138 7.138 7.069 0.069 19034 963 1 3 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.489 -3.032 19034 964 1 3 . 1 1 3 3 HIS N N 3 118.891 118.891 121.263 -2.372 19034 965 1 3 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.915 -0.082 19034 966 1 3 . 1 1 3 3 HIS CA C 3 50.518 50.518 52.957 -2.439 19034 967 1 3 . 1 1 3 3 HIS CB C 3 26.412 26.412 30.787 -4.375 19034 968 1 3 . 1 1 3 3 HIS H H 3 8.079 8.079 8.195 -0.116 19034 969 1 3 . 1 1 4 4 PRO HA H 4 2.016 2.016 2.973 -0.957 19034 970 1 3 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.674 -2.707 19034 971 1 3 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.827 -1.889 19034 972 1 3 . 1 1 5 5 THR N N 5 113.236 113.236 113.929 -0.693 19034 973 1 3 . 1 1 5 5 THR HA H 5 4.430 4.430 4.442 -0.012 19034 974 1 3 . 1 1 5 5 THR CA C 5 56.748 56.748 59.071 -2.323 19034 975 1 3 . 1 1 5 5 THR CB C 5 69.859 69.859 71.448 -1.589 19034 976 1 3 . 1 1 5 5 THR H H 5 6.242 6.242 7.201 -0.959 19034 977 1 3 . 1 1 6 6 GLU N N 6 114.417 114.417 118.778 -4.361 19034 978 1 3 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.246 -0.071 19034 979 1 3 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.614 -2.190 19034 980 1 3 . 1 1 6 6 GLU CB C 6 26.129 26.129 30.006 -3.877 19034 981 1 3 . 1 1 6 6 GLU H H 6 10.185 10.185 8.559 1.626 19034 982 1 3 . 1 1 7 7 VAL N N 7 119.290 119.290 119.398 -0.108 19034 983 1 3 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.442 0.596 19034 984 1 3 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.565 -3.289 19034 985 1 3 . 1 1 7 7 VAL CB C 7 30.522 30.522 32.344 -1.822 19034 986 1 3 . 1 1 7 7 VAL H H 7 8.270 8.270 7.427 0.843 19034 987 1 3 . 1 1 8 8 LEU N N 8 130.138 130.138 129.768 0.370 19034 988 1 3 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.926 -0.285 19034 989 1 3 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.900 -4.112 19034 990 1 3 . 1 1 8 8 LEU CB C 8 43.885 43.885 43.759 0.126 19034 991 1 3 . 1 1 8 8 LEU H H 8 9.316 9.316 9.136 0.180 19034 992 1 3 . 1 1 9 9 CYS N N 9 123.769 123.769 127.278 -3.509 19034 993 1 3 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.889 0.150 19034 994 1 3 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.565 -4.317 19034 995 1 3 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.658 -2.430 19034 996 1 3 . 1 1 9 9 CYS H H 9 8.902 8.902 9.032 -0.130 19034 997 1 3 . 1 1 10 10 LEU N N 10 127.313 127.313 128.277 -0.964 19034 998 1 3 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.280 -0.696 19034 999 1 3 . 1 1 10 10 LEU CA C 10 51.368 51.368 52.959 -1.591 19034 1000 1 3 . 1 1 10 10 LEU CB C 10 40.709 40.709 44.543 -3.834 19034 1001 1 3 . 1 1 10 10 LEU H H 10 9.203 9.203 8.763 0.440 19034 1002 1 3 . 1 1 11 11 MET N N 11 124.158 124.158 119.179 4.979 19034 1003 1 3 . 1 1 11 11 MET HA H 11 4.481 4.481 4.858 -0.377 19034 1004 1 3 . 1 1 11 11 MET CA C 11 52.655 52.655 54.586 -1.931 19034 1005 1 3 . 1 1 11 11 MET CB C 11 33.156 33.156 36.610 -3.454 19034 1006 1 3 . 1 1 11 11 MET H H 11 9.161 9.161 8.095 1.066 19034 1007 1 3 . 1 1 12 12 ASN N N 12 114.067 114.067 113.881 0.186 19034 1008 1 3 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.306 -0.025 19034 1009 1 3 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.576 -2.891 19034 1010 1 3 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.637 -1.323 19034 1011 1 3 . 1 1 12 12 ASN H H 12 8.842 8.842 9.177 -0.335 19034 1012 1 3 . 1 1 13 13 MET N N 13 118.202 118.202 117.465 0.737 19034 1013 1 3 . 1 1 13 13 MET HA H 13 3.952 3.952 4.337 -0.385 19034 1014 1 3 . 1 1 13 13 MET CA C 13 55.132 55.132 58.232 -3.100 19034 1015 1 3 . 1 1 13 13 MET CB C 13 31.944 31.944 33.606 -1.662 19034 1016 1 3 . 1 1 13 13 MET H H 13 8.519 8.519 8.292 0.227 19034 1017 1 3 . 1 1 14 14 VAL N N 14 110.436 110.436 113.124 -2.688 19034 1018 1 3 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.377 0.075 19034 1019 1 3 . 1 1 14 14 VAL CA C 14 55.821 55.821 59.891 -4.070 19034 1020 1 3 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.209 -0.454 19034 1021 1 3 . 1 1 14 14 VAL H H 14 6.949 6.949 7.923 -0.974 19034 1022 1 3 . 1 1 15 15 LEU N N 15 123.248 123.248 120.249 2.999 19034 1023 1 3 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.825 -0.046 19034 1024 1 3 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.694 -2.813 19034 1025 1 3 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.907 -2.407 19034 1026 1 3 . 1 1 15 15 LEU H H 15 8.346 8.346 8.272 0.074 19034 1027 1 3 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.442 -0.559 19034 1028 1 3 . 1 1 16 16 PRO CA C 16 56.106 56.106 63.924 -7.818 19034 1029 1 3 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.901 -2.388 19034 1030 1 3 . 1 1 17 17 GLU N N 17 119.496 119.496 115.535 3.961 19034 1031 1 3 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.513 -0.402 19034 1032 1 3 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.368 -1.873 19034 1033 1 3 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.479 -2.591 19034 1034 1 3 . 1 1 17 17 GLU H H 17 7.754 7.754 8.366 -0.612 19034 1035 1 3 . 1 1 18 18 GLU N N 18 112.697 112.697 118.594 -5.897 19034 1036 1 3 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.577 -0.599 19034 1037 1 3 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.114 0.171 19034 1038 1 3 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.771 -5.695 19034 1039 1 3 . 1 1 18 18 GLU H H 18 8.975 8.975 7.857 1.118 19034 1040 1 3 . 1 1 19 19 LEU N N 19 113.096 113.096 123.329 -10.233 19034 1041 1 3 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.564 -0.145 19034 1042 1 3 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.458 -3.509 19034 1043 1 3 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.036 0.306 19034 1044 1 3 . 1 1 19 19 LEU H H 19 7.266 7.266 8.314 -1.048 19034 1045 1 3 . 1 1 20 20 LEU N N 20 119.130 119.130 119.209 -0.079 19034 1046 1 3 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.508 -0.470 19034 1047 1 3 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.755 -0.753 19034 1048 1 3 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.868 -2.602 19034 1049 1 3 . 1 1 20 20 LEU H H 20 7.102 7.102 7.376 -0.274 19034 1050 1 3 . 1 1 21 21 ASP N N 21 120.713 120.713 122.098 -1.385 19034 1051 1 3 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.465 0.142 19034 1052 1 3 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.616 -4.810 19034 1053 1 3 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.901 -0.334 19034 1054 1 3 . 1 1 21 21 ASP H H 21 8.071 8.071 8.139 -0.068 19034 1055 1 3 . 1 1 22 22 ASP N N 22 126.353 126.353 124.901 1.452 19034 1056 1 3 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.588 -0.346 19034 1057 1 3 . 1 1 22 22 ASP CA C 22 55.650 55.650 55.015 0.635 19034 1058 1 3 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.206 -3.123 19034 1059 1 3 . 1 1 22 22 ASP H H 22 8.835 8.835 8.729 0.106 19034 1060 1 3 . 1 1 23 23 GLU N N 23 119.623 119.623 119.774 -0.151 19034 1061 1 3 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.230 -0.164 19034 1062 1 3 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.428 -1.589 19034 1063 1 3 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.659 -3.247 19034 1064 1 3 . 1 1 23 23 GLU H H 23 8.177 8.177 8.322 -0.145 19034 1065 1 3 . 1 1 24 24 GLU N N 24 121.959 121.959 120.717 1.242 19034 1066 1 3 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.123 -0.127 19034 1067 1 3 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.809 -2.448 19034 1068 1 3 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.345 -2.888 19034 1069 1 3 . 1 1 24 24 GLU H H 24 8.218 8.218 8.386 -0.168 19034 1070 1 3 . 1 1 25 25 TYR N N 25 119.522 119.522 120.168 -0.646 19034 1071 1 3 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.020 -0.069 19034 1072 1 3 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.815 -2.168 19034 1073 1 3 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.556 -2.551 19034 1074 1 3 . 1 1 25 25 TYR H H 25 8.694 8.694 8.260 0.434 19034 1075 1 3 . 1 1 26 26 GLU N N 26 116.410 116.410 116.936 -0.526 19034 1076 1 3 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.175 -0.473 19034 1077 1 3 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.795 -2.466 19034 1078 1 3 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.552 -3.373 19034 1079 1 3 . 1 1 26 26 GLU H H 26 7.852 7.852 8.012 -0.160 19034 1080 1 3 . 1 1 27 27 GLU N N 27 118.895 118.895 120.051 -1.156 19034 1081 1 3 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.055 -0.134 19034 1082 1 3 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.167 -2.722 19034 1083 1 3 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.662 -3.422 19034 1084 1 3 . 1 1 27 27 GLU H H 27 7.555 7.555 7.531 0.024 19034 1085 1 3 . 1 1 28 28 ILE N N 28 121.720 121.720 120.650 1.070 19034 1086 1 3 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.622 0.020 19034 1087 1 3 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.352 -2.997 19034 1088 1 3 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.813 -2.747 19034 1089 1 3 . 1 1 28 28 ILE H H 28 7.918 7.918 7.975 -0.057 19034 1090 1 3 . 1 1 29 29 VAL N N 29 119.336 119.336 118.560 0.776 19034 1091 1 3 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.363 -0.328 19034 1092 1 3 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.719 -2.112 19034 1093 1 3 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.260 -2.196 19034 1094 1 3 . 1 1 29 29 VAL H H 29 7.832 7.832 7.760 0.072 19034 1095 1 3 . 1 1 30 30 GLU N N 30 116.291 116.291 119.218 -2.927 19034 1096 1 3 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.075 -0.198 19034 1097 1 3 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.354 -3.293 19034 1098 1 3 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.343 -3.232 19034 1099 1 3 . 1 1 30 30 GLU H H 30 7.405 7.405 7.605 -0.200 19034 1100 1 3 . 1 1 31 31 ASP N N 31 120.811 120.811 120.055 0.756 19034 1101 1 3 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.429 -0.055 19034 1102 1 3 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.274 -2.742 19034 1103 1 3 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.878 -3.593 19034 1104 1 3 . 1 1 31 31 ASP H H 31 8.471 8.471 8.362 0.109 19034 1105 1 3 . 1 1 32 32 VAL N N 32 121.006 121.006 118.901 2.105 19034 1106 1 3 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.590 -0.179 19034 1107 1 3 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.604 -1.389 19034 1108 1 3 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.415 -2.870 19034 1109 1 3 . 1 1 32 32 VAL H H 32 8.655 8.655 7.973 0.682 19034 1110 1 3 . 1 1 33 33 ARG N N 33 122.143 122.143 121.509 0.634 19034 1111 1 3 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.970 -0.477 19034 1112 1 3 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.740 -1.309 19034 1113 1 3 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.760 -2.528 19034 1114 1 3 . 1 1 33 33 ARG H H 33 8.507 8.507 7.690 0.817 19034 1115 1 3 . 1 1 34 34 ASP N N 34 120.971 120.971 117.867 3.104 19034 1116 1 3 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.308 -0.052 19034 1117 1 3 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.635 -2.535 19034 1118 1 3 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.722 -2.646 19034 1119 1 3 . 1 1 34 34 ASP H H 34 8.633 8.633 7.991 0.642 19034 1120 1 3 . 1 1 35 35 GLU N N 35 119.918 119.918 119.830 0.088 19034 1121 1 3 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.117 -0.053 19034 1122 1 3 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.884 -2.453 19034 1123 1 3 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.283 -2.423 19034 1124 1 3 . 1 1 35 35 GLU H H 35 8.184 8.184 7.885 0.299 19034 1125 1 3 . 1 1 36 36 CYS N N 36 114.288 114.288 117.048 -2.760 19034 1126 1 3 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.904 -0.530 19034 1127 1 3 . 1 1 36 36 CYS CA C 36 62.543 62.543 60.228 2.315 19034 1128 1 3 . 1 1 36 36 CYS CB C 36 24.910 24.910 28.757 -3.847 19034 1129 1 3 . 1 1 36 36 CYS H H 36 8.584 8.584 8.104 0.480 19034 1130 1 3 . 1 1 37 37 SER N N 37 114.987 114.987 117.150 -2.163 19034 1131 1 3 . 1 1 37 37 SER HA H 37 5.135 5.135 4.636 0.499 19034 1132 1 3 . 1 1 37 37 SER CA C 37 58.124 58.124 60.069 -1.945 19034 1133 1 3 . 1 1 37 37 SER CB C 37 60.481 60.481 62.577 -2.096 19034 1134 1 3 . 1 1 37 37 SER H H 37 8.164 8.164 8.687 -0.523 19034 1135 1 3 . 1 1 38 38 LYS N N 38 119.574 119.574 121.115 -1.541 19034 1136 1 3 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.944 -0.140 19034 1137 1 3 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.489 -2.999 19034 1138 1 3 . 1 1 38 38 LYS CB C 38 29.371 29.371 31.861 -2.490 19034 1139 1 3 . 1 1 38 38 LYS H H 38 7.111 7.111 7.868 -0.757 19034 1140 1 3 . 1 1 39 39 TYR N N 39 116.372 116.372 115.314 1.058 19034 1141 1 3 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.657 -0.353 19034 1142 1 3 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.351 -1.427 19034 1143 1 3 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.506 -2.384 19034 1144 1 3 . 1 1 39 39 TYR H H 39 7.576 7.576 7.659 -0.083 19034 1145 1 3 . 1 1 40 40 GLY N N 40 103.718 103.718 106.041 -2.323 19034 1146 1 3 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.569 -3.383 19034 1147 1 3 . 1 1 40 40 GLY H H 40 7.380 7.380 7.631 -0.251 19034 1148 1 3 . 1 1 41 41 LEU N N 41 118.877 118.877 122.763 -3.886 19034 1149 1 3 . 1 1 41 41 LEU HA H 41 4.332 4.332 5.134 -0.802 19034 1150 1 3 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.373 -0.303 19034 1151 1 3 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.459 -4.500 19034 1152 1 3 . 1 1 41 41 LEU H H 41 8.260 8.260 8.333 -0.073 19034 1153 1 3 . 1 1 42 42 VAL N N 42 127.032 127.032 127.306 -0.274 19034 1154 1 3 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.417 0.090 19034 1155 1 3 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.483 -3.535 19034 1156 1 3 . 1 1 42 42 VAL CB C 42 30.002 30.002 30.270 -0.268 19034 1157 1 3 . 1 1 42 42 VAL H H 42 8.598 8.598 8.068 0.530 19034 1158 1 3 . 1 1 43 43 LYS N N 43 130.977 130.977 129.515 1.462 19034 1159 1 3 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.057 0.069 19034 1160 1 3 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.555 -3.533 19034 1161 1 3 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.091 -0.998 19034 1162 1 3 . 1 1 43 43 LYS H H 43 9.307 9.307 8.578 0.729 19034 1163 1 3 . 1 1 44 44 SER N N 44 110.453 110.453 109.833 0.620 19034 1164 1 3 . 1 1 44 44 SER HA H 44 4.492 4.492 4.695 -0.203 19034 1165 1 3 . 1 1 44 44 SER CA C 44 55.890 55.890 57.847 -1.957 19034 1166 1 3 . 1 1 44 44 SER CB C 44 62.940 62.940 66.650 -3.710 19034 1167 1 3 . 1 1 44 44 SER H H 44 7.938 7.938 7.469 0.469 19034 1168 1 3 . 1 1 45 45 ILE N N 45 118.542 118.542 121.305 -2.763 19034 1169 1 3 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.806 0.244 19034 1170 1 3 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.708 -3.177 19034 1171 1 3 . 1 1 45 45 ILE CB C 45 40.320 40.320 40.420 -0.100 19034 1172 1 3 . 1 1 45 45 ILE H H 45 8.136 8.136 8.461 -0.325 19034 1173 1 3 . 1 1 46 46 GLU N N 46 125.456 125.456 128.277 -2.821 19034 1174 1 3 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.591 0.109 19034 1175 1 3 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.770 -3.303 19034 1176 1 3 . 1 1 46 46 GLU CB C 46 30.763 30.763 30.857 -0.094 19034 1177 1 3 . 1 1 46 46 GLU H H 46 9.364 9.364 9.326 0.038 19034 1178 1 3 . 1 1 47 47 ILE N N 47 122.471 122.471 126.924 -4.453 19034 1179 1 3 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.660 0.045 19034 1180 1 3 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.293 -1.958 19034 1181 1 3 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.920 -2.132 19034 1182 1 3 . 1 1 47 47 ILE H H 47 8.672 8.672 8.213 0.459 19034 1183 1 3 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.296 -2.420 19034 1184 1 3 . 1 1 49 49 ARG N N 49 120.907 120.907 122.570 -1.663 19034 1185 1 3 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.671 0.036 19034 1186 1 3 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.249 -0.321 19034 1187 1 3 . 1 1 49 49 ARG H H 49 7.944 7.944 8.282 -0.338 19034 1188 1 3 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.377 0.015 19034 1189 1 3 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.682 -2.054 19034 1190 1 3 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.741 -3.115 19034 1191 1 3 . 1 1 51 51 VAL N N 51 121.425 121.425 121.670 -0.245 19034 1192 1 3 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.189 -0.202 19034 1193 1 3 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.035 -2.178 19034 1194 1 3 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.150 1.088 19034 1195 1 3 . 1 1 51 51 VAL H H 51 7.992 7.992 7.952 0.040 19034 1196 1 3 . 1 1 52 52 ASP N N 52 127.160 127.160 129.159 -1.999 19034 1197 1 3 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.328 -0.091 19034 1198 1 3 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.884 -1.596 19034 1199 1 3 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.440 -2.490 19034 1200 1 3 . 1 1 52 52 ASP H H 52 8.746 8.746 9.074 -0.328 19034 1201 1 3 . 1 1 53 53 GLY N N 53 108.483 108.483 104.039 4.444 19034 1202 1 3 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.808 -1.834 19034 1203 1 3 . 1 1 53 53 GLY H H 53 8.589 8.589 7.960 0.629 19034 1204 1 3 . 1 1 54 54 VAL N N 54 120.874 120.874 122.685 -1.811 19034 1205 1 3 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.215 -0.056 19034 1206 1 3 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.678 -3.189 19034 1207 1 3 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.821 -0.788 19034 1208 1 3 . 1 1 54 54 VAL H H 54 7.804 7.804 7.882 -0.078 19034 1209 1 3 . 1 1 55 55 GLU N N 55 126.140 126.140 125.612 0.528 19034 1210 1 3 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.431 -0.258 19034 1211 1 3 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.046 -2.350 19034 1212 1 3 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.146 -3.386 19034 1213 1 3 . 1 1 55 55 GLU H H 55 8.578 8.578 8.613 -0.035 19034 1214 1 3 . 1 1 56 56 VAL N N 56 124.648 124.648 117.409 7.239 19034 1215 1 3 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.639 -0.284 19034 1216 1 3 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.671 -0.601 19034 1217 1 3 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.795 -3.989 19034 1218 1 3 . 1 1 56 56 VAL H H 56 7.661 7.661 8.160 -0.499 19034 1219 1 3 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.361 -0.244 19034 1220 1 3 . 1 1 57 57 PRO CA C 57 61.241 61.241 64.058 -2.817 19034 1221 1 3 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.560 -2.315 19034 1222 1 3 . 1 1 58 58 GLY N N 58 109.755 109.755 111.651 -1.896 19034 1223 1 3 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.808 -1.961 19034 1224 1 3 . 1 1 58 58 GLY H H 58 8.577 8.577 8.330 0.247 19034 1225 1 3 . 1 1 59 59 CYS N N 59 118.400 118.400 121.179 -2.779 19034 1226 1 3 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.193 -0.138 19034 1227 1 3 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.850 -1.526 19034 1228 1 3 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.630 -4.452 19034 1229 1 3 . 1 1 59 59 CYS H H 59 7.631 7.631 7.803 -0.172 19034 1230 1 3 . 1 1 60 60 GLY N N 60 119.002 119.002 113.926 5.076 19034 1231 1 3 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.670 -3.531 19034 1232 1 3 . 1 1 60 60 GLY H H 60 10.447 10.447 9.055 1.392 19034 1233 1 3 . 1 1 61 61 LYS N N 61 122.250 122.250 120.376 1.874 19034 1234 1 3 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.656 -0.325 19034 1235 1 3 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.128 -2.184 19034 1236 1 3 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.849 -0.676 19034 1237 1 3 . 1 1 61 61 LYS H H 61 8.233 8.233 7.236 0.997 19034 1238 1 3 . 1 1 62 62 ILE N N 62 118.312 118.312 118.734 -0.422 19034 1239 1 3 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.818 -0.522 19034 1240 1 3 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.369 -1.983 19034 1241 1 3 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.302 -3.299 19034 1242 1 3 . 1 1 62 62 ILE H H 62 7.272 7.272 7.584 -0.312 19034 1243 1 3 . 1 1 63 63 PHE N N 63 125.445 125.445 123.132 2.313 19034 1244 1 3 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.195 0.105 19034 1245 1 3 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.396 -2.902 19034 1246 1 3 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.363 -1.572 19034 1247 1 3 . 1 1 63 63 PHE H H 63 8.876 8.876 8.784 0.092 19034 1248 1 3 . 1 1 64 64 VAL N N 64 122.504 122.504 124.508 -2.004 19034 1249 1 3 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.717 -0.397 19034 1250 1 3 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.950 -2.422 19034 1251 1 3 . 1 1 64 64 VAL CB C 64 32.571 32.571 31.983 0.588 19034 1252 1 3 . 1 1 64 64 VAL H H 64 9.161 9.161 9.099 0.062 19034 1253 1 3 . 1 1 65 65 GLU N N 65 127.687 127.687 128.451 -0.764 19034 1254 1 3 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.334 0.343 19034 1255 1 3 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.526 -3.081 19034 1256 1 3 . 1 1 65 65 GLU CB C 65 28.559 28.559 31.308 -2.749 19034 1257 1 3 . 1 1 65 65 GLU H H 65 8.601 8.601 8.606 -0.005 19034 1258 1 3 . 1 1 66 66 PHE N N 66 126.672 126.672 120.256 6.416 19034 1259 1 3 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.320 -0.227 19034 1260 1 3 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.650 -1.465 19034 1261 1 3 . 1 1 66 66 PHE CB C 66 39.141 39.141 43.276 -4.135 19034 1262 1 3 . 1 1 66 66 PHE H H 66 9.352 9.352 7.812 1.540 19034 1263 1 3 . 1 1 67 67 THR N N 67 109.616 109.616 112.187 -2.571 19034 1264 1 3 . 1 1 67 67 THR HA H 67 4.248 4.248 4.432 -0.184 19034 1265 1 3 . 1 1 67 67 THR CA C 67 60.963 60.963 62.680 -1.717 19034 1266 1 3 . 1 1 67 67 THR CB C 67 66.974 66.974 69.838 -2.864 19034 1267 1 3 . 1 1 67 67 THR H H 67 9.072 9.072 8.479 0.593 19034 1268 1 3 . 1 1 68 68 SER N N 68 111.776 111.776 113.559 -1.783 19034 1269 1 3 . 1 1 68 68 SER HA H 68 4.922 4.922 4.944 -0.022 19034 1270 1 3 . 1 1 68 68 SER CA C 68 53.411 53.411 57.241 -3.830 19034 1271 1 3 . 1 1 68 68 SER CB C 68 63.507 63.507 64.813 -1.306 19034 1272 1 3 . 1 1 68 68 SER H H 68 7.511 7.511 7.441 0.070 19034 1273 1 3 . 1 1 69 69 VAL N N 69 123.476 123.476 124.159 -0.683 19034 1274 1 3 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.806 -0.401 19034 1275 1 3 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.539 -2.951 19034 1276 1 3 . 1 1 69 69 VAL CB C 69 28.878 28.878 32.174 -3.296 19034 1277 1 3 . 1 1 69 69 VAL H H 69 8.854 8.854 8.740 0.114 19034 1278 1 3 . 1 1 70 70 PHE N N 70 119.530 119.530 117.304 2.226 19034 1279 1 3 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.341 -0.112 19034 1280 1 3 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.454 -2.552 19034 1281 1 3 . 1 1 70 70 PHE CB C 70 36.263 36.263 39.071 -2.808 19034 1282 1 3 . 1 1 70 70 PHE H H 70 7.673 7.673 7.630 0.043 19034 1283 1 3 . 1 1 71 71 ASP N N 71 120.024 120.024 120.170 -0.146 19034 1284 1 3 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.554 -0.378 19034 1285 1 3 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.428 -3.122 19034 1286 1 3 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.312 -3.445 19034 1287 1 3 . 1 1 71 71 ASP H H 71 7.585 7.585 7.805 -0.220 19034 1288 1 3 . 1 1 72 72 CYS N N 72 119.689 119.689 116.839 2.850 19034 1289 1 3 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.297 -0.501 19034 1290 1 3 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.429 -4.282 19034 1291 1 3 . 1 1 72 72 CYS CB C 72 25.349 25.349 26.605 -1.256 19034 1292 1 3 . 1 1 72 72 CYS H H 72 7.087 7.087 7.520 -0.433 19034 1293 1 3 . 1 1 73 73 GLN N N 73 117.350 117.350 119.911 -2.561 19034 1294 1 3 . 1 1 73 73 GLN HA H 73 4.406 4.406 3.943 0.463 19034 1295 1 3 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.782 -2.421 19034 1296 1 3 . 1 1 73 73 GLN CB C 73 26.883 26.883 27.647 -0.764 19034 1297 1 3 . 1 1 73 73 GLN H H 73 8.478 8.478 7.834 0.644 19034 1298 1 3 . 1 1 74 74 LYS N N 74 119.692 119.692 119.281 0.411 19034 1299 1 3 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.113 -0.339 19034 1300 1 3 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.621 -1.794 19034 1301 1 3 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.394 -2.892 19034 1302 1 3 . 1 1 74 74 LYS H H 74 7.468 7.468 7.590 -0.122 19034 1303 1 3 . 1 1 75 75 ALA N N 75 124.287 124.287 122.905 1.382 19034 1304 1 3 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.392 -0.797 19034 1305 1 3 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.877 -3.180 19034 1306 1 3 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.150 -1.059 19034 1307 1 3 . 1 1 75 75 ALA H H 75 7.549 7.549 7.435 0.114 19034 1308 1 3 . 1 1 76 76 MET N N 76 118.919 118.919 118.217 0.702 19034 1309 1 3 . 1 1 76 76 MET HA H 76 3.490 3.490 3.792 -0.302 19034 1310 1 3 . 1 1 76 76 MET CA C 76 56.956 56.956 59.084 -2.128 19034 1311 1 3 . 1 1 76 76 MET CB C 76 28.966 28.966 32.431 -3.465 19034 1312 1 3 . 1 1 76 76 MET H H 76 8.700 8.700 8.322 0.378 19034 1313 1 3 . 1 1 77 77 GLN N N 77 118.282 118.282 117.251 1.031 19034 1314 1 3 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.008 -0.152 19034 1315 1 3 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.157 -2.457 19034 1316 1 3 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.630 -2.849 19034 1317 1 3 . 1 1 77 77 GLN H H 77 7.798 7.798 7.896 -0.098 19034 1318 1 3 . 1 1 78 78 GLY N N 78 106.137 106.137 106.811 -0.674 19034 1319 1 3 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.336 -2.587 19034 1320 1 3 . 1 1 78 78 GLY H H 78 7.797 7.797 7.975 -0.178 19034 1321 1 3 . 1 1 79 79 LEU N N 79 118.753 118.753 118.446 0.307 19034 1322 1 3 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.616 -0.426 19034 1323 1 3 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.212 0.051 19034 1324 1 3 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.982 -2.068 19034 1325 1 3 . 1 1 79 79 LEU H H 79 8.039 8.039 7.236 0.803 19034 1326 1 3 . 1 1 80 80 THR N N 80 114.360 114.360 118.721 -4.361 19034 1327 1 3 . 1 1 80 80 THR HA H 80 3.550 3.550 4.008 -0.458 19034 1328 1 3 . 1 1 80 80 THR CA C 80 63.539 63.539 65.291 -1.752 19034 1329 1 3 . 1 1 80 80 THR CB C 80 66.102 66.102 67.875 -1.773 19034 1330 1 3 . 1 1 80 80 THR H H 80 7.177 7.177 7.446 -0.269 19034 1331 1 3 . 1 1 81 81 GLY N N 81 115.554 115.554 115.398 0.156 19034 1332 1 3 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.626 -1.633 19034 1333 1 3 . 1 1 81 81 GLY H H 81 8.680 8.680 8.425 0.255 19034 1334 1 3 . 1 1 82 82 ARG N N 82 120.945 120.945 121.974 -1.029 19034 1335 1 3 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.267 -0.174 19034 1336 1 3 . 1 1 82 82 ARG CA C 82 53.446 53.446 57.198 -3.752 19034 1337 1 3 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.614 -3.466 19034 1338 1 3 . 1 1 82 82 ARG H H 82 7.520 7.520 7.874 -0.354 19034 1339 1 3 . 1 1 83 83 LYS N N 83 121.584 121.584 117.646 3.938 19034 1340 1 3 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.965 0.043 19034 1341 1 3 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.392 -2.670 19034 1342 1 3 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.637 -3.047 19034 1343 1 3 . 1 1 83 83 LYS H H 83 8.165 8.165 8.389 -0.224 19034 1344 1 3 . 1 1 84 84 PHE N N 84 125.104 125.104 121.616 3.488 19034 1345 1 3 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.985 -0.548 19034 1346 1 3 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.202 -2.429 19034 1347 1 3 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.822 -0.735 19034 1348 1 3 . 1 1 84 84 PHE H H 84 8.656 8.656 9.140 -0.484 19034 1349 1 3 . 1 1 85 85 ALA N N 85 127.849 127.849 121.540 6.309 19034 1350 1 3 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.313 -0.545 19034 1351 1 3 . 1 1 85 85 ALA CA C 85 51.048 51.048 53.281 -2.233 19034 1352 1 3 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.729 -5.608 19034 1353 1 3 . 1 1 85 85 ALA H H 85 8.831 8.831 7.976 0.855 19034 1354 1 3 . 1 1 86 86 ASN N N 86 113.065 113.065 114.932 -1.867 19034 1355 1 3 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.794 -0.435 19034 1356 1 3 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.483 -2.074 19034 1357 1 3 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.368 -4.646 19034 1358 1 3 . 1 1 86 86 ASN H H 86 8.406 8.406 8.584 -0.178 19034 1359 1 3 . 1 1 87 87 ARG N N 87 121.167 121.167 120.506 0.661 19034 1360 1 3 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.484 0.037 19034 1361 1 3 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.951 -3.165 19034 1362 1 3 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.205 -1.325 19034 1363 1 3 . 1 1 87 87 ARG H H 87 8.250 8.250 8.215 0.035 19034 1364 1 3 . 1 1 88 88 VAL N N 88 121.437 121.437 118.485 2.952 19034 1365 1 3 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.127 0.147 19034 1366 1 3 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.775 -3.494 19034 1367 1 3 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.847 -2.557 19034 1368 1 3 . 1 1 88 88 VAL H H 88 8.279 8.279 8.215 0.064 19034 1369 1 3 . 1 1 89 89 VAL N N 89 127.754 127.754 124.329 3.425 19034 1370 1 3 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.350 -0.238 19034 1371 1 3 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.758 0.374 19034 1372 1 3 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.636 -3.528 19034 1373 1 3 . 1 1 89 89 VAL H H 89 8.601 8.601 8.069 0.532 19034 1374 1 3 . 1 1 90 90 VAL N N 90 127.874 127.874 128.446 -0.572 19034 1375 1 3 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.316 0.005 19034 1376 1 3 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.934 -2.445 19034 1377 1 3 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.133 -0.786 19034 1378 1 3 . 1 1 90 90 VAL H H 90 7.866 7.866 7.917 -0.051 19034 1379 1 3 . 1 1 91 91 THR N N 91 114.187 114.187 118.230 -4.043 19034 1380 1 3 . 1 1 91 91 THR HA H 91 5.528 5.528 4.890 0.638 19034 1381 1 3 . 1 1 91 91 THR CA C 91 56.193 56.193 60.003 -3.810 19034 1382 1 3 . 1 1 91 91 THR CB C 91 69.553 69.553 70.114 -0.561 19034 1383 1 3 . 1 1 91 91 THR H H 91 8.119 8.119 8.311 -0.192 19034 1384 1 3 . 1 1 92 92 LYS N N 92 116.111 116.111 122.133 -6.022 19034 1385 1 3 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.411 -0.065 19034 1386 1 3 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.412 -1.758 19034 1387 1 3 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.108 -3.221 19034 1388 1 3 . 1 1 92 92 LYS H H 92 8.199 8.199 8.513 -0.314 19034 1389 1 3 . 1 1 93 93 TYR N N 93 121.017 121.017 119.283 1.734 19034 1390 1 3 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.805 0.155 19034 1391 1 3 . 1 1 93 93 TYR CA C 93 56.410 56.410 58.379 -1.968 19034 1392 1 3 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.014 -2.474 19034 1393 1 3 . 1 1 93 93 TYR H H 93 8.450 8.450 8.153 0.297 19034 1394 1 3 . 1 1 94 94 CYS N N 94 119.566 119.566 118.953 0.613 19034 1395 1 3 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.874 -0.062 19034 1396 1 3 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.236 -3.235 19034 1397 1 3 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.423 -3.837 19034 1398 1 3 . 1 1 94 94 CYS H H 94 8.614 8.614 8.423 0.191 19034 1399 1 3 . 1 1 95 95 ASP N N 95 128.707 128.707 121.274 7.433 19034 1400 1 3 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.038 -0.201 19034 1401 1 3 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.327 -2.317 19034 1402 1 3 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.993 -2.277 19034 1403 1 3 . 1 1 95 95 ASP H H 95 8.969 8.969 9.012 -0.043 19034 1404 1 3 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.311 -2.576 19034 1405 1 3 . 1 1 97 97 ASP N N 97 118.102 118.102 119.201 -1.099 19034 1406 1 3 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.663 -0.234 19034 1407 1 3 . 1 1 97 97 ASP CA C 97 55.041 55.041 58.139 -3.098 19034 1408 1 3 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.879 -3.120 19034 1409 1 3 . 1 1 97 97 ASP H H 97 8.189 8.189 8.743 -0.554 19034 1410 1 3 . 1 1 98 98 SER N N 98 116.394 116.394 112.363 4.031 19034 1411 1 3 . 1 1 98 98 SER HA H 98 3.961 3.961 4.274 -0.314 19034 1412 1 3 . 1 1 98 98 SER CA C 98 59.519 59.519 59.904 -0.385 19034 1413 1 3 . 1 1 98 98 SER H H 98 7.792 7.792 8.246 -0.454 19034 1414 1 3 . 1 1 99 99 TYR N N 99 121.890 121.890 123.223 -1.333 19034 1415 1 3 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.362 -0.620 19034 1416 1 3 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.680 -1.883 19034 1417 1 3 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.602 -3.427 19034 1418 1 3 . 1 1 99 99 TYR H H 99 7.625 7.625 7.651 -0.026 19034 1419 1 3 . 1 1 100 100 HIS N N 100 118.065 118.065 116.445 1.620 19034 1420 1 3 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.482 -0.352 19034 1421 1 3 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.767 -3.159 19034 1422 1 3 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.159 -4.365 19034 1423 1 3 . 1 1 100 100 HIS H H 100 8.425 8.425 7.624 0.801 19034 1424 1 3 . 1 1 101 101 ARG N N 101 116.756 116.756 118.847 -2.091 19034 1425 1 3 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.535 -0.434 19034 1426 1 3 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.194 -0.553 19034 1427 1 3 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.537 -3.428 19034 1428 1 3 . 1 1 101 101 ARG H H 101 7.406 7.406 7.856 -0.450 19034 1429 1 3 . 1 1 102 102 ARG N N 102 115.254 115.254 121.233 -5.979 19034 1430 1 3 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.274 -0.974 19034 1431 1 3 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.909 -2.323 19034 1432 1 3 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.204 -4.120 19034 1433 1 3 . 1 1 102 102 ARG H H 102 7.297 7.297 8.713 -1.416 19034 1434 1 3 . 1 1 103 103 ASP N N 103 119.588 119.588 121.123 -1.535 19034 1435 1 3 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.362 -0.016 19034 1436 1 3 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.742 -3.161 19034 1437 1 3 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.552 -1.803 19034 1438 1 3 . 1 1 103 103 ASP H H 103 7.467 7.467 7.271 0.196 19034 1439 1 3 . 1 1 104 104 PHE N N 104 120.438 120.438 119.249 1.189 19034 1440 1 3 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.711 -0.371 19034 1441 1 3 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.482 -4.781 19034 1442 1 3 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.814 -2.972 19034 1443 1 3 . 1 1 104 104 PHE H H 104 7.138 7.138 7.244 -0.106 19034 1444 1 4 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.964 -2.507 19034 1445 1 4 . 1 1 3 3 HIS N N 3 118.891 118.891 119.020 -0.129 19034 1446 1 4 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.605 0.228 19034 1447 1 4 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.780 -4.262 19034 1448 1 4 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.512 -3.100 19034 1449 1 4 . 1 1 3 3 HIS H H 3 8.079 8.079 8.316 -0.237 19034 1450 1 4 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.590 -1.574 19034 1451 1 4 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.273 -2.306 19034 1452 1 4 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.253 -2.315 19034 1453 1 4 . 1 1 5 5 THR N N 5 113.236 113.236 114.074 -0.838 19034 1454 1 4 . 1 1 5 5 THR HA H 5 4.430 4.430 4.759 -0.329 19034 1455 1 4 . 1 1 5 5 THR CA C 5 56.748 56.748 59.514 -2.767 19034 1456 1 4 . 1 1 5 5 THR CB C 5 69.859 69.859 71.383 -1.524 19034 1457 1 4 . 1 1 5 5 THR H H 5 6.242 6.242 8.155 -1.913 19034 1458 1 4 . 1 1 6 6 GLU N N 6 114.417 114.417 119.782 -5.365 19034 1459 1 4 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.475 -0.300 19034 1460 1 4 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.432 -2.009 19034 1461 1 4 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.176 -3.047 19034 1462 1 4 . 1 1 6 6 GLU H H 6 10.185 10.185 8.984 1.201 19034 1463 1 4 . 1 1 7 7 VAL N N 7 119.290 119.290 113.876 5.414 19034 1464 1 4 . 1 1 7 7 VAL HA H 7 5.038 5.038 5.181 -0.143 19034 1465 1 4 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.950 -1.674 19034 1466 1 4 . 1 1 7 7 VAL CB C 7 30.522 30.522 35.482 -4.960 19034 1467 1 4 . 1 1 7 7 VAL H H 7 8.270 8.270 7.397 0.873 19034 1468 1 4 . 1 1 8 8 LEU N N 8 130.138 130.138 123.076 7.062 19034 1469 1 4 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.319 -0.678 19034 1470 1 4 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.460 -3.672 19034 1471 1 4 . 1 1 8 8 LEU CB C 8 43.885 43.885 47.452 -3.567 19034 1472 1 4 . 1 1 8 8 LEU H H 8 9.316 9.316 8.971 0.345 19034 1473 1 4 . 1 1 9 9 CYS N N 9 123.769 123.769 119.564 4.205 19034 1474 1 4 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.345 -0.306 19034 1475 1 4 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.496 -3.248 19034 1476 1 4 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.844 -4.616 19034 1477 1 4 . 1 1 9 9 CYS H H 9 8.902 8.902 8.854 0.048 19034 1478 1 4 . 1 1 10 10 LEU N N 10 127.313 127.313 126.818 0.495 19034 1479 1 4 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.958 -0.374 19034 1480 1 4 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.565 -2.197 19034 1481 1 4 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.555 -2.846 19034 1482 1 4 . 1 1 10 10 LEU H H 10 9.203 9.203 8.911 0.292 19034 1483 1 4 . 1 1 11 11 MET N N 11 124.158 124.158 122.570 1.588 19034 1484 1 4 . 1 1 11 11 MET HA H 11 4.481 4.481 4.600 -0.119 19034 1485 1 4 . 1 1 11 11 MET CA C 11 52.655 52.655 55.328 -2.673 19034 1486 1 4 . 1 1 11 11 MET CB C 11 33.156 33.156 34.793 -1.637 19034 1487 1 4 . 1 1 11 11 MET H H 11 9.161 9.161 8.407 0.754 19034 1488 1 4 . 1 1 12 12 ASN N N 12 114.067 114.067 112.716 1.351 19034 1489 1 4 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.329 -0.048 19034 1490 1 4 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.844 -3.159 19034 1491 1 4 . 1 1 12 12 ASN CB C 12 35.314 35.314 37.129 -1.815 19034 1492 1 4 . 1 1 12 12 ASN H H 12 8.842 8.842 8.951 -0.109 19034 1493 1 4 . 1 1 13 13 MET N N 13 118.202 118.202 117.890 0.312 19034 1494 1 4 . 1 1 13 13 MET HA H 13 3.952 3.952 4.203 -0.251 19034 1495 1 4 . 1 1 13 13 MET CA C 13 55.132 55.132 58.399 -3.267 19034 1496 1 4 . 1 1 13 13 MET CB C 13 31.944 31.944 33.605 -1.661 19034 1497 1 4 . 1 1 13 13 MET H H 13 8.519 8.519 8.175 0.344 19034 1498 1 4 . 1 1 14 14 VAL N N 14 110.436 110.436 111.955 -1.519 19034 1499 1 4 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.696 -0.244 19034 1500 1 4 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.142 -4.321 19034 1501 1 4 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.074 -1.320 19034 1502 1 4 . 1 1 14 14 VAL H H 14 6.949 6.949 7.589 -0.640 19034 1503 1 4 . 1 1 15 15 LEU N N 15 123.248 123.248 123.857 -0.609 19034 1504 1 4 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.763 0.016 19034 1505 1 4 . 1 1 15 15 LEU CA C 15 48.881 48.881 52.246 -3.365 19034 1506 1 4 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.667 -2.167 19034 1507 1 4 . 1 1 15 15 LEU H H 15 8.346 8.346 9.007 -0.661 19034 1508 1 4 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.412 -0.529 19034 1509 1 4 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.289 -8.183 19034 1510 1 4 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.138 -2.625 19034 1511 1 4 . 1 1 17 17 GLU N N 17 119.496 119.496 114.534 4.962 19034 1512 1 4 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.516 -0.405 19034 1513 1 4 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.483 -1.988 19034 1514 1 4 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.488 -2.600 19034 1515 1 4 . 1 1 17 17 GLU H H 17 7.754 7.754 8.504 -0.750 19034 1516 1 4 . 1 1 18 18 GLU N N 18 112.697 112.697 119.386 -6.689 19034 1517 1 4 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.446 -0.468 19034 1518 1 4 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.004 0.281 19034 1519 1 4 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.111 -5.035 19034 1520 1 4 . 1 1 18 18 GLU H H 18 8.975 8.975 7.778 1.197 19034 1521 1 4 . 1 1 19 19 LEU N N 19 113.096 113.096 122.867 -9.771 19034 1522 1 4 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.392 0.027 19034 1523 1 4 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.866 -4.917 19034 1524 1 4 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.481 -0.138 19034 1525 1 4 . 1 1 19 19 LEU H H 19 7.266 7.266 8.289 -1.023 19034 1526 1 4 . 1 1 20 20 LEU N N 20 119.130 119.130 119.970 -0.840 19034 1527 1 4 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.592 -0.554 19034 1528 1 4 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.338 -0.336 19034 1529 1 4 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.029 -2.763 19034 1530 1 4 . 1 1 20 20 LEU H H 20 7.102 7.102 8.223 -1.121 19034 1531 1 4 . 1 1 21 21 ASP N N 21 120.713 120.713 121.678 -0.965 19034 1532 1 4 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.540 0.067 19034 1533 1 4 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.833 -3.027 19034 1534 1 4 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.512 -0.945 19034 1535 1 4 . 1 1 21 21 ASP H H 21 8.071 8.071 7.811 0.260 19034 1536 1 4 . 1 1 22 22 ASP N N 22 126.353 126.353 116.259 10.094 19034 1537 1 4 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.576 -0.334 19034 1538 1 4 . 1 1 22 22 ASP CA C 22 55.650 55.650 54.197 1.453 19034 1539 1 4 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.718 -3.635 19034 1540 1 4 . 1 1 22 22 ASP H H 22 8.835 8.835 8.441 0.394 19034 1541 1 4 . 1 1 23 23 GLU N N 23 119.623 119.623 119.748 -0.125 19034 1542 1 4 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.179 -0.113 19034 1543 1 4 . 1 1 23 23 GLU CA C 23 56.840 56.840 57.996 -1.157 19034 1544 1 4 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.779 -3.367 19034 1545 1 4 . 1 1 23 23 GLU H H 23 8.177 8.177 8.205 -0.028 19034 1546 1 4 . 1 1 24 24 GLU N N 24 121.959 121.959 121.141 0.818 19034 1547 1 4 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.120 -0.124 19034 1548 1 4 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.721 -2.360 19034 1549 1 4 . 1 1 24 24 GLU CB C 24 26.457 26.457 28.754 -2.297 19034 1550 1 4 . 1 1 24 24 GLU H H 24 8.218 8.218 8.526 -0.308 19034 1551 1 4 . 1 1 25 25 TYR N N 25 119.522 119.522 120.630 -1.108 19034 1552 1 4 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.053 -0.102 19034 1553 1 4 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.805 -2.158 19034 1554 1 4 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.594 -2.589 19034 1555 1 4 . 1 1 25 25 TYR H H 25 8.694 8.694 9.059 -0.365 19034 1556 1 4 . 1 1 26 26 GLU N N 26 116.410 116.410 117.046 -0.636 19034 1557 1 4 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.091 -0.389 19034 1558 1 4 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.203 -2.874 19034 1559 1 4 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.402 -3.224 19034 1560 1 4 . 1 1 26 26 GLU H H 26 7.852 7.852 7.998 -0.146 19034 1561 1 4 . 1 1 27 27 GLU N N 27 118.895 118.895 120.002 -1.107 19034 1562 1 4 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.106 -0.185 19034 1563 1 4 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.067 -2.622 19034 1564 1 4 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.262 -3.022 19034 1565 1 4 . 1 1 27 27 GLU H H 27 7.555 7.555 7.602 -0.047 19034 1566 1 4 . 1 1 28 28 ILE N N 28 121.720 121.720 119.726 1.994 19034 1567 1 4 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.686 -0.044 19034 1568 1 4 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.974 -2.619 19034 1569 1 4 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.597 -2.531 19034 1570 1 4 . 1 1 28 28 ILE H H 28 7.918 7.918 8.459 -0.541 19034 1571 1 4 . 1 1 29 29 VAL N N 29 119.336 119.336 120.544 -1.208 19034 1572 1 4 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.404 -0.369 19034 1573 1 4 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.949 -2.342 19034 1574 1 4 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.481 -2.417 19034 1575 1 4 . 1 1 29 29 VAL H H 29 7.832 7.832 7.286 0.546 19034 1576 1 4 . 1 1 30 30 GLU N N 30 116.291 116.291 118.912 -2.621 19034 1577 1 4 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.967 -0.090 19034 1578 1 4 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.605 -3.544 19034 1579 1 4 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.324 -3.213 19034 1580 1 4 . 1 1 30 30 GLU H H 30 7.405 7.405 8.290 -0.885 19034 1581 1 4 . 1 1 31 31 ASP N N 31 120.811 120.811 119.530 1.281 19034 1582 1 4 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.416 -0.042 19034 1583 1 4 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.468 -2.936 19034 1584 1 4 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.935 -3.650 19034 1585 1 4 . 1 1 31 31 ASP H H 31 8.471 8.471 8.490 -0.019 19034 1586 1 4 . 1 1 32 32 VAL N N 32 121.006 121.006 118.484 2.522 19034 1587 1 4 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.696 -0.285 19034 1588 1 4 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.298 -0.083 19034 1589 1 4 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.257 -2.712 19034 1590 1 4 . 1 1 32 32 VAL H H 32 8.655 8.655 7.261 1.395 19034 1591 1 4 . 1 1 33 33 ARG N N 33 122.143 122.143 120.899 1.244 19034 1592 1 4 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.999 -0.506 19034 1593 1 4 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.413 -0.982 19034 1594 1 4 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.969 -2.737 19034 1595 1 4 . 1 1 33 33 ARG H H 33 8.507 8.507 8.173 0.334 19034 1596 1 4 . 1 1 34 34 ASP N N 34 120.971 120.971 119.266 1.705 19034 1597 1 4 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.399 -0.143 19034 1598 1 4 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.278 -2.178 19034 1599 1 4 . 1 1 34 34 ASP CB C 34 38.076 38.076 41.121 -3.045 19034 1600 1 4 . 1 1 34 34 ASP H H 34 8.633 8.633 7.712 0.921 19034 1601 1 4 . 1 1 35 35 GLU N N 35 119.918 119.918 118.762 1.156 19034 1602 1 4 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.042 0.022 19034 1603 1 4 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.844 -2.413 19034 1604 1 4 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.296 -2.436 19034 1605 1 4 . 1 1 35 35 GLU H H 35 8.184 8.184 7.579 0.605 19034 1606 1 4 . 1 1 36 36 CYS N N 36 114.288 114.288 118.419 -4.131 19034 1607 1 4 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.490 -0.116 19034 1608 1 4 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.836 0.707 19034 1609 1 4 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.788 -2.878 19034 1610 1 4 . 1 1 36 36 CYS H H 36 8.584 8.584 8.511 0.073 19034 1611 1 4 . 1 1 37 37 SER N N 37 114.987 114.987 115.888 -0.901 19034 1612 1 4 . 1 1 37 37 SER HA H 37 5.135 5.135 4.600 0.535 19034 1613 1 4 . 1 1 37 37 SER CA C 37 58.124 58.124 60.736 -2.612 19034 1614 1 4 . 1 1 37 37 SER CB C 37 60.481 60.481 62.627 -2.146 19034 1615 1 4 . 1 1 37 37 SER H H 37 8.164 8.164 7.966 0.198 19034 1616 1 4 . 1 1 38 38 LYS N N 38 119.574 119.574 120.883 -1.309 19034 1617 1 4 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.067 -0.263 19034 1618 1 4 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.331 -2.841 19034 1619 1 4 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.122 -2.751 19034 1620 1 4 . 1 1 38 38 LYS H H 38 7.111 7.111 7.551 -0.440 19034 1621 1 4 . 1 1 39 39 TYR N N 39 116.372 116.372 116.503 -0.131 19034 1622 1 4 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.586 -0.282 19034 1623 1 4 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.147 -2.223 19034 1624 1 4 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.858 -2.736 19034 1625 1 4 . 1 1 39 39 TYR H H 39 7.576 7.576 7.792 -0.216 19034 1626 1 4 . 1 1 40 40 GLY N N 40 103.718 103.718 105.049 -1.331 19034 1627 1 4 . 1 1 40 40 GLY CA C 40 42.186 42.186 44.956 -2.770 19034 1628 1 4 . 1 1 40 40 GLY H H 40 7.380 7.380 7.564 -0.184 19034 1629 1 4 . 1 1 41 41 LEU N N 41 118.877 118.877 122.774 -3.897 19034 1630 1 4 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.793 -0.461 19034 1631 1 4 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.519 -0.449 19034 1632 1 4 . 1 1 41 41 LEU CB C 41 39.959 39.959 42.197 -2.238 19034 1633 1 4 . 1 1 41 41 LEU H H 41 8.260 8.260 8.977 -0.717 19034 1634 1 4 . 1 1 42 42 VAL N N 42 127.032 127.032 127.217 -0.185 19034 1635 1 4 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.739 -0.232 19034 1636 1 4 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.663 -3.716 19034 1637 1 4 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.030 -1.028 19034 1638 1 4 . 1 1 42 42 VAL H H 42 8.598 8.598 8.491 0.107 19034 1639 1 4 . 1 1 43 43 LYS N N 43 130.977 130.977 128.732 2.245 19034 1640 1 4 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.189 -0.063 19034 1641 1 4 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.382 -3.360 19034 1642 1 4 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.864 -1.771 19034 1643 1 4 . 1 1 43 43 LYS H H 43 9.307 9.307 8.876 0.431 19034 1644 1 4 . 1 1 44 44 SER N N 44 110.453 110.453 108.976 1.477 19034 1645 1 4 . 1 1 44 44 SER HA H 44 4.492 4.492 4.679 -0.187 19034 1646 1 4 . 1 1 44 44 SER CA C 44 55.890 55.890 57.353 -1.463 19034 1647 1 4 . 1 1 44 44 SER CB C 44 62.940 62.940 65.994 -3.054 19034 1648 1 4 . 1 1 44 44 SER H H 44 7.938 7.938 7.592 0.346 19034 1649 1 4 . 1 1 45 45 ILE N N 45 118.542 118.542 119.681 -1.139 19034 1650 1 4 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.870 0.180 19034 1651 1 4 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.925 -3.394 19034 1652 1 4 . 1 1 45 45 ILE CB C 45 40.320 40.320 42.214 -1.894 19034 1653 1 4 . 1 1 45 45 ILE H H 45 8.136 8.136 8.393 -0.257 19034 1654 1 4 . 1 1 46 46 GLU N N 46 125.456 125.456 125.278 0.178 19034 1655 1 4 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.830 -0.130 19034 1656 1 4 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.397 -2.930 19034 1657 1 4 . 1 1 46 46 GLU CB C 46 30.763 30.763 33.007 -2.244 19034 1658 1 4 . 1 1 46 46 GLU H H 46 9.364 9.364 8.996 0.368 19034 1659 1 4 . 1 1 47 47 ILE N N 47 122.471 122.471 127.520 -5.049 19034 1660 1 4 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.771 -0.066 19034 1661 1 4 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.358 -2.023 19034 1662 1 4 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.250 -2.462 19034 1663 1 4 . 1 1 47 47 ILE H H 47 8.672 8.672 8.677 -0.005 19034 1664 1 4 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.051 -2.175 19034 1665 1 4 . 1 1 49 49 ARG N N 49 120.907 120.907 121.072 -0.165 19034 1666 1 4 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.869 -0.162 19034 1667 1 4 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.827 -1.899 19034 1668 1 4 . 1 1 49 49 ARG H H 49 7.944 7.944 8.426 -0.482 19034 1669 1 4 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.410 -0.018 19034 1670 1 4 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.521 -1.893 19034 1671 1 4 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.414 -2.788 19034 1672 1 4 . 1 1 51 51 VAL N N 51 121.425 121.425 120.292 1.133 19034 1673 1 4 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.271 -0.284 19034 1674 1 4 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.701 -2.844 19034 1675 1 4 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.513 -1.274 19034 1676 1 4 . 1 1 51 51 VAL H H 51 7.992 7.992 8.376 -0.384 19034 1677 1 4 . 1 1 52 52 ASP N N 52 127.160 127.160 128.668 -1.508 19034 1678 1 4 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.263 -0.026 19034 1679 1 4 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.759 -1.471 19034 1680 1 4 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.512 -2.562 19034 1681 1 4 . 1 1 52 52 ASP H H 52 8.746 8.746 9.084 -0.338 19034 1682 1 4 . 1 1 53 53 GLY N N 53 108.483 108.483 103.867 4.616 19034 1683 1 4 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.940 -1.966 19034 1684 1 4 . 1 1 53 53 GLY H H 53 8.589 8.589 7.996 0.593 19034 1685 1 4 . 1 1 54 54 VAL N N 54 120.874 120.874 122.943 -2.069 19034 1686 1 4 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.267 -0.108 19034 1687 1 4 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.965 -2.475 19034 1688 1 4 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.684 -0.651 19034 1689 1 4 . 1 1 54 54 VAL H H 54 7.804 7.804 7.893 -0.089 19034 1690 1 4 . 1 1 55 55 GLU N N 55 126.140 126.140 126.210 -0.070 19034 1691 1 4 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.156 0.017 19034 1692 1 4 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.489 -2.793 19034 1693 1 4 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.335 -3.575 19034 1694 1 4 . 1 1 55 55 GLU H H 55 8.578 8.578 8.590 -0.012 19034 1695 1 4 . 1 1 56 56 VAL N N 56 124.648 124.648 118.041 6.607 19034 1696 1 4 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.500 -0.145 19034 1697 1 4 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.986 -0.916 19034 1698 1 4 . 1 1 56 56 VAL CB C 56 29.806 29.806 34.180 -4.374 19034 1699 1 4 . 1 1 56 56 VAL H H 56 7.661 7.661 7.993 -0.332 19034 1700 1 4 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.337 -0.220 19034 1701 1 4 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.700 -2.459 19034 1702 1 4 . 1 1 57 57 PRO CB C 57 29.245 29.245 29.852 -0.607 19034 1703 1 4 . 1 1 58 58 GLY N N 58 109.755 109.755 111.490 -1.735 19034 1704 1 4 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.720 -1.873 19034 1705 1 4 . 1 1 58 58 GLY H H 58 8.577 8.577 8.075 0.502 19034 1706 1 4 . 1 1 59 59 CYS N N 59 118.400 118.400 121.142 -2.742 19034 1707 1 4 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.101 -0.046 19034 1708 1 4 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.749 -2.425 19034 1709 1 4 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.270 -4.092 19034 1710 1 4 . 1 1 59 59 CYS H H 59 7.631 7.631 7.928 -0.297 19034 1711 1 4 . 1 1 60 60 GLY N N 60 119.002 119.002 114.284 4.718 19034 1712 1 4 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.444 -3.305 19034 1713 1 4 . 1 1 60 60 GLY H H 60 10.447 10.447 9.021 1.426 19034 1714 1 4 . 1 1 61 61 LYS N N 61 122.250 122.250 121.080 1.170 19034 1715 1 4 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.461 -0.130 19034 1716 1 4 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.337 -2.393 19034 1717 1 4 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.574 -0.401 19034 1718 1 4 . 1 1 61 61 LYS H H 61 8.233 8.233 7.196 1.037 19034 1719 1 4 . 1 1 62 62 ILE N N 62 118.312 118.312 119.072 -0.760 19034 1720 1 4 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.670 -0.374 19034 1721 1 4 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.746 -2.360 19034 1722 1 4 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.177 -2.174 19034 1723 1 4 . 1 1 62 62 ILE H H 62 7.272 7.272 7.490 -0.218 19034 1724 1 4 . 1 1 63 63 PHE N N 63 125.445 125.445 125.341 0.104 19034 1725 1 4 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.399 -0.099 19034 1726 1 4 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.035 -2.541 19034 1727 1 4 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.306 -1.515 19034 1728 1 4 . 1 1 63 63 PHE H H 63 8.876 8.876 8.758 0.118 19034 1729 1 4 . 1 1 64 64 VAL N N 64 122.504 122.504 118.138 4.366 19034 1730 1 4 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.916 -0.596 19034 1731 1 4 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.873 -1.345 19034 1732 1 4 . 1 1 64 64 VAL CB C 64 32.571 32.571 35.588 -3.017 19034 1733 1 4 . 1 1 64 64 VAL H H 64 9.161 9.161 8.664 0.497 19034 1734 1 4 . 1 1 65 65 GLU N N 65 127.687 127.687 125.479 2.208 19034 1735 1 4 . 1 1 65 65 GLU HA H 65 4.677 4.677 5.097 -0.420 19034 1736 1 4 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.098 -2.653 19034 1737 1 4 . 1 1 65 65 GLU CB C 65 28.559 28.559 34.223 -5.664 19034 1738 1 4 . 1 1 65 65 GLU H H 65 8.601 8.601 8.712 -0.111 19034 1739 1 4 . 1 1 66 66 PHE N N 66 126.672 126.672 121.277 5.395 19034 1740 1 4 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.593 -0.500 19034 1741 1 4 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.422 -1.237 19034 1742 1 4 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.550 -3.409 19034 1743 1 4 . 1 1 66 66 PHE H H 66 9.352 9.352 9.164 0.188 19034 1744 1 4 . 1 1 67 67 THR N N 67 109.616 109.616 113.072 -3.456 19034 1745 1 4 . 1 1 67 67 THR HA H 67 4.248 4.248 4.336 -0.088 19034 1746 1 4 . 1 1 67 67 THR CA C 67 60.963 60.963 63.391 -2.428 19034 1747 1 4 . 1 1 67 67 THR CB C 67 66.974 66.974 69.506 -2.532 19034 1748 1 4 . 1 1 67 67 THR H H 67 9.072 9.072 8.755 0.317 19034 1749 1 4 . 1 1 68 68 SER N N 68 111.776 111.776 113.998 -2.222 19034 1750 1 4 . 1 1 68 68 SER HA H 68 4.922 4.922 5.142 -0.220 19034 1751 1 4 . 1 1 68 68 SER CA C 68 53.411 53.411 57.842 -4.431 19034 1752 1 4 . 1 1 68 68 SER CB C 68 63.507 63.507 66.167 -2.660 19034 1753 1 4 . 1 1 68 68 SER H H 68 7.511 7.511 7.530 -0.019 19034 1754 1 4 . 1 1 69 69 VAL N N 69 123.476 123.476 123.660 -0.184 19034 1755 1 4 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.951 -0.546 19034 1756 1 4 . 1 1 69 69 VAL CA C 69 62.588 62.588 66.246 -3.658 19034 1757 1 4 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.952 -3.074 19034 1758 1 4 . 1 1 69 69 VAL H H 69 8.854 8.854 8.610 0.244 19034 1759 1 4 . 1 1 70 70 PHE N N 70 119.530 119.530 118.108 1.422 19034 1760 1 4 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.034 0.195 19034 1761 1 4 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.095 -4.193 19034 1762 1 4 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.581 -2.318 19034 1763 1 4 . 1 1 70 70 PHE H H 70 7.673 7.673 8.390 -0.717 19034 1764 1 4 . 1 1 71 71 ASP N N 71 120.024 120.024 118.484 1.540 19034 1765 1 4 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.438 -0.262 19034 1766 1 4 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.099 -2.793 19034 1767 1 4 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.488 -2.621 19034 1768 1 4 . 1 1 71 71 ASP H H 71 7.585 7.585 7.832 -0.247 19034 1769 1 4 . 1 1 72 72 CYS N N 72 119.689 119.689 119.584 0.105 19034 1770 1 4 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.897 -0.101 19034 1771 1 4 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.636 -5.489 19034 1772 1 4 . 1 1 72 72 CYS CB C 72 25.349 25.349 26.711 -1.362 19034 1773 1 4 . 1 1 72 72 CYS H H 72 7.087 7.087 7.590 -0.503 19034 1774 1 4 . 1 1 73 73 GLN N N 73 117.350 117.350 116.737 0.613 19034 1775 1 4 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.214 0.192 19034 1776 1 4 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.661 -2.300 19034 1777 1 4 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.665 -1.782 19034 1778 1 4 . 1 1 73 73 GLN H H 73 8.478 8.478 8.272 0.206 19034 1779 1 4 . 1 1 74 74 LYS N N 74 119.692 119.692 119.469 0.223 19034 1780 1 4 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.287 -0.513 19034 1781 1 4 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.360 -1.533 19034 1782 1 4 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.797 -3.295 19034 1783 1 4 . 1 1 74 74 LYS H H 74 7.468 7.468 7.589 -0.121 19034 1784 1 4 . 1 1 75 75 ALA N N 75 124.287 124.287 121.666 2.621 19034 1785 1 4 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.618 -1.022 19034 1786 1 4 . 1 1 75 75 ALA CA C 75 51.696 51.696 53.857 -2.161 19034 1787 1 4 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.297 -1.206 19034 1788 1 4 . 1 1 75 75 ALA H H 75 7.549 7.549 8.048 -0.499 19034 1789 1 4 . 1 1 76 76 MET N N 76 118.919 118.919 119.490 -0.571 19034 1790 1 4 . 1 1 76 76 MET HA H 76 3.490 3.490 3.921 -0.431 19034 1791 1 4 . 1 1 76 76 MET CA C 76 56.956 56.956 57.599 -0.643 19034 1792 1 4 . 1 1 76 76 MET CB C 76 28.966 28.966 32.182 -3.216 19034 1793 1 4 . 1 1 76 76 MET H H 76 8.700 8.700 8.085 0.615 19034 1794 1 4 . 1 1 77 77 GLN N N 77 118.282 118.282 117.807 0.475 19034 1795 1 4 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.098 -0.242 19034 1796 1 4 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.629 -1.929 19034 1797 1 4 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.747 -2.966 19034 1798 1 4 . 1 1 77 77 GLN H H 77 7.798 7.798 8.349 -0.551 19034 1799 1 4 . 1 1 78 78 GLY N N 78 106.137 106.137 107.356 -1.219 19034 1800 1 4 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.438 -2.690 19034 1801 1 4 . 1 1 78 78 GLY H H 78 7.797 7.797 7.834 -0.037 19034 1802 1 4 . 1 1 79 79 LEU N N 79 118.753 118.753 118.582 0.171 19034 1803 1 4 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.558 -0.368 19034 1804 1 4 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.824 -0.561 19034 1805 1 4 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.671 -1.757 19034 1806 1 4 . 1 1 79 79 LEU H H 79 8.039 8.039 7.351 0.688 19034 1807 1 4 . 1 1 80 80 THR N N 80 114.360 114.360 117.021 -2.661 19034 1808 1 4 . 1 1 80 80 THR HA H 80 3.550 3.550 3.948 -0.398 19034 1809 1 4 . 1 1 80 80 THR CA C 80 63.539 63.539 65.105 -1.566 19034 1810 1 4 . 1 1 80 80 THR CB C 80 66.102 66.102 67.628 -1.526 19034 1811 1 4 . 1 1 80 80 THR H H 80 7.177 7.177 7.378 -0.201 19034 1812 1 4 . 1 1 81 81 GLY N N 81 115.554 115.554 116.109 -0.555 19034 1813 1 4 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.892 -1.899 19034 1814 1 4 . 1 1 81 81 GLY H H 81 8.680 8.680 8.482 0.198 19034 1815 1 4 . 1 1 82 82 ARG N N 82 120.945 120.945 121.956 -1.011 19034 1816 1 4 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.342 -0.249 19034 1817 1 4 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.407 -2.962 19034 1818 1 4 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.218 -3.071 19034 1819 1 4 . 1 1 82 82 ARG H H 82 7.520 7.520 7.967 -0.447 19034 1820 1 4 . 1 1 83 83 LYS N N 83 121.584 121.584 119.896 1.688 19034 1821 1 4 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.184 -0.176 19034 1822 1 4 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.304 -2.582 19034 1823 1 4 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.270 -1.680 19034 1824 1 4 . 1 1 83 83 LYS H H 83 8.165 8.165 8.706 -0.541 19034 1825 1 4 . 1 1 84 84 PHE N N 84 125.104 125.104 124.375 0.729 19034 1826 1 4 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.516 -0.079 19034 1827 1 4 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.941 -2.168 19034 1828 1 4 . 1 1 84 84 PHE CB C 84 39.087 39.087 36.569 2.518 19034 1829 1 4 . 1 1 84 84 PHE H H 84 8.656 8.656 9.248 -0.592 19034 1830 1 4 . 1 1 85 85 ALA N N 85 127.849 127.849 122.086 5.763 19034 1831 1 4 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.157 -0.389 19034 1832 1 4 . 1 1 85 85 ALA CA C 85 51.048 51.048 53.402 -2.354 19034 1833 1 4 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.353 -5.232 19034 1834 1 4 . 1 1 85 85 ALA H H 85 8.831 8.831 8.096 0.735 19034 1835 1 4 . 1 1 86 86 ASN N N 86 113.065 113.065 115.647 -2.582 19034 1836 1 4 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.759 -0.400 19034 1837 1 4 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.571 -2.162 19034 1838 1 4 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.547 -4.825 19034 1839 1 4 . 1 1 86 86 ASN H H 86 8.406 8.406 8.597 -0.191 19034 1840 1 4 . 1 1 87 87 ARG N N 87 121.167 121.167 119.779 1.388 19034 1841 1 4 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.545 -0.024 19034 1842 1 4 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.340 -2.554 19034 1843 1 4 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.450 -1.570 19034 1844 1 4 . 1 1 87 87 ARG H H 87 8.250 8.250 8.062 0.188 19034 1845 1 4 . 1 1 88 88 VAL N N 88 121.437 121.437 120.947 0.490 19034 1846 1 4 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.166 0.108 19034 1847 1 4 . 1 1 88 88 VAL CA C 88 59.281 59.281 63.220 -3.939 19034 1848 1 4 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.709 -2.419 19034 1849 1 4 . 1 1 88 88 VAL H H 88 8.279 8.279 8.352 -0.073 19034 1850 1 4 . 1 1 89 89 VAL N N 89 127.754 127.754 129.391 -1.637 19034 1851 1 4 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.292 -0.180 19034 1852 1 4 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.673 0.458 19034 1853 1 4 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.162 -3.054 19034 1854 1 4 . 1 1 89 89 VAL H H 89 8.601 8.601 8.597 0.004 19034 1855 1 4 . 1 1 90 90 VAL N N 90 127.874 127.874 124.073 3.801 19034 1856 1 4 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.520 -0.199 19034 1857 1 4 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.838 -1.349 19034 1858 1 4 . 1 1 90 90 VAL CB C 90 32.346 32.346 31.860 0.486 19034 1859 1 4 . 1 1 90 90 VAL H H 90 7.866 7.866 7.842 0.024 19034 1860 1 4 . 1 1 91 91 THR N N 91 114.187 114.187 118.720 -4.533 19034 1861 1 4 . 1 1 91 91 THR HA H 91 5.528 5.528 4.857 0.671 19034 1862 1 4 . 1 1 91 91 THR CA C 91 56.193 56.193 61.145 -4.952 19034 1863 1 4 . 1 1 91 91 THR CB C 91 69.553 69.553 69.961 -0.408 19034 1864 1 4 . 1 1 91 91 THR H H 91 8.119 8.119 8.275 -0.156 19034 1865 1 4 . 1 1 92 92 LYS N N 92 116.111 116.111 122.560 -6.449 19034 1866 1 4 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.464 -0.118 19034 1867 1 4 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.382 -2.728 19034 1868 1 4 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.685 -2.798 19034 1869 1 4 . 1 1 92 92 LYS H H 92 8.199 8.199 8.478 -0.279 19034 1870 1 4 . 1 1 93 93 TYR N N 93 121.017 121.017 121.615 -0.598 19034 1871 1 4 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.424 0.536 19034 1872 1 4 . 1 1 93 93 TYR CA C 93 56.410 56.410 58.973 -2.563 19034 1873 1 4 . 1 1 93 93 TYR CB C 93 36.540 36.540 37.977 -1.437 19034 1874 1 4 . 1 1 93 93 TYR H H 93 8.450 8.450 8.436 0.014 19034 1875 1 4 . 1 1 94 94 CYS N N 94 119.566 119.566 123.412 -3.846 19034 1876 1 4 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.625 0.187 19034 1877 1 4 . 1 1 94 94 CYS CA C 94 54.001 54.001 58.118 -4.117 19034 1878 1 4 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.763 -3.177 19034 1879 1 4 . 1 1 94 94 CYS H H 94 8.614 8.614 8.363 0.251 19034 1880 1 4 . 1 1 95 95 ASP N N 95 128.707 128.707 122.142 6.565 19034 1881 1 4 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.947 -0.110 19034 1882 1 4 . 1 1 95 95 ASP CA C 95 50.010 50.010 53.063 -3.053 19034 1883 1 4 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.820 -2.104 19034 1884 1 4 . 1 1 95 95 ASP H H 95 8.969 8.969 8.655 0.315 19034 1885 1 4 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.272 -2.537 19034 1886 1 4 . 1 1 97 97 ASP N N 97 118.102 118.102 118.154 -0.052 19034 1887 1 4 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.577 -0.148 19034 1888 1 4 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.432 -2.391 19034 1889 1 4 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.664 -2.905 19034 1890 1 4 . 1 1 97 97 ASP H H 97 8.189 8.189 8.461 -0.272 19034 1891 1 4 . 1 1 98 98 SER N N 98 116.394 116.394 113.331 3.063 19034 1892 1 4 . 1 1 98 98 SER HA H 98 3.961 3.961 4.223 -0.262 19034 1893 1 4 . 1 1 98 98 SER CA C 98 59.519 59.519 60.612 -1.093 19034 1894 1 4 . 1 1 98 98 SER H H 98 7.792 7.792 8.304 -0.512 19034 1895 1 4 . 1 1 99 99 TYR N N 99 121.890 121.890 122.742 -0.852 19034 1896 1 4 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.100 -0.358 19034 1897 1 4 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.002 -1.205 19034 1898 1 4 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.054 -1.879 19034 1899 1 4 . 1 1 99 99 TYR H H 99 7.625 7.625 7.374 0.251 19034 1900 1 4 . 1 1 100 100 HIS N N 100 118.065 118.065 116.085 1.980 19034 1901 1 4 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.163 -0.033 19034 1902 1 4 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.335 -1.727 19034 1903 1 4 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.786 -3.992 19034 1904 1 4 . 1 1 100 100 HIS H H 100 8.425 8.425 7.893 0.532 19034 1905 1 4 . 1 1 101 101 ARG N N 101 116.756 116.756 118.164 -1.408 19034 1906 1 4 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.481 -0.380 19034 1907 1 4 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.101 -0.460 19034 1908 1 4 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.044 -3.935 19034 1909 1 4 . 1 1 101 101 ARG H H 101 7.406 7.406 7.465 -0.059 19034 1910 1 4 . 1 1 102 102 ARG N N 102 115.254 115.254 120.421 -5.167 19034 1911 1 4 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.683 -1.383 19034 1912 1 4 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.719 -2.133 19034 1913 1 4 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.389 -4.305 19034 1914 1 4 . 1 1 102 102 ARG H H 102 7.297 7.297 8.500 -1.203 19034 1915 1 4 . 1 1 103 103 ASP N N 103 119.588 119.588 119.949 -0.361 19034 1916 1 4 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.406 -0.060 19034 1917 1 4 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.971 -3.390 19034 1918 1 4 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.507 -1.758 19034 1919 1 4 . 1 1 103 103 ASP H H 103 7.467 7.467 7.122 0.345 19034 1920 1 4 . 1 1 104 104 PHE N N 104 120.438 120.438 120.317 0.121 19034 1921 1 4 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.609 -0.269 19034 1922 1 4 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.681 -5.980 19034 1923 1 4 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.416 -2.574 19034 1924 1 4 . 1 1 104 104 PHE H H 104 7.138 7.138 7.091 0.047 19034 1925 1 5 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.589 -2.132 19034 1926 1 5 . 1 1 3 3 HIS N N 3 118.891 118.891 118.992 -0.101 19034 1927 1 5 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.624 0.209 19034 1928 1 5 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.282 -3.764 19034 1929 1 5 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.940 -3.528 19034 1930 1 5 . 1 1 3 3 HIS H H 3 8.079 8.079 8.435 -0.356 19034 1931 1 5 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.295 -1.279 19034 1932 1 5 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.459 -2.491 19034 1933 1 5 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.307 -2.369 19034 1934 1 5 . 1 1 5 5 THR N N 5 113.236 113.236 112.986 0.250 19034 1935 1 5 . 1 1 5 5 THR HA H 5 4.430 4.430 4.469 -0.039 19034 1936 1 5 . 1 1 5 5 THR CA C 5 56.748 56.748 59.383 -2.635 19034 1937 1 5 . 1 1 5 5 THR CB C 5 69.859 69.859 71.762 -1.903 19034 1938 1 5 . 1 1 5 5 THR H H 5 6.242 6.242 7.431 -1.189 19034 1939 1 5 . 1 1 6 6 GLU N N 6 114.417 114.417 119.630 -5.213 19034 1940 1 5 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.359 -0.184 19034 1941 1 5 . 1 1 6 6 GLU CA C 6 55.424 55.424 59.057 -3.633 19034 1942 1 5 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.360 -3.231 19034 1943 1 5 . 1 1 6 6 GLU H H 6 10.185 10.185 8.921 1.264 19034 1944 1 5 . 1 1 7 7 VAL N N 7 119.290 119.290 113.549 5.741 19034 1945 1 5 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.061 0.977 19034 1946 1 5 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.453 -2.177 19034 1947 1 5 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.736 -3.214 19034 1948 1 5 . 1 1 7 7 VAL H H 7 8.270 8.270 6.999 1.271 19034 1949 1 5 . 1 1 8 8 LEU N N 8 130.138 130.138 120.266 9.872 19034 1950 1 5 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.863 -0.222 19034 1951 1 5 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.273 -4.485 19034 1952 1 5 . 1 1 8 8 LEU CB C 8 43.885 43.885 47.052 -3.167 19034 1953 1 5 . 1 1 8 8 LEU H H 8 9.316 9.316 8.960 0.356 19034 1954 1 5 . 1 1 9 9 CYS N N 9 123.769 123.769 121.614 2.155 19034 1955 1 5 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.345 -0.306 19034 1956 1 5 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.250 -3.002 19034 1957 1 5 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.794 -4.566 19034 1958 1 5 . 1 1 9 9 CYS H H 9 8.902 8.902 9.003 -0.101 19034 1959 1 5 . 1 1 10 10 LEU N N 10 127.313 127.313 124.991 2.322 19034 1960 1 5 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.262 -0.678 19034 1961 1 5 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.082 -1.714 19034 1962 1 5 . 1 1 10 10 LEU CB C 10 40.709 40.709 45.169 -4.460 19034 1963 1 5 . 1 1 10 10 LEU H H 10 9.203 9.203 8.832 0.371 19034 1964 1 5 . 1 1 11 11 MET N N 11 124.158 124.158 118.236 5.922 19034 1965 1 5 . 1 1 11 11 MET HA H 11 4.481 4.481 4.819 -0.338 19034 1966 1 5 . 1 1 11 11 MET CA C 11 52.655 52.655 55.064 -2.409 19034 1967 1 5 . 1 1 11 11 MET CB C 11 33.156 33.156 36.708 -3.552 19034 1968 1 5 . 1 1 11 11 MET H H 11 9.161 9.161 8.329 0.832 19034 1969 1 5 . 1 1 12 12 ASN N N 12 114.067 114.067 114.604 -0.537 19034 1970 1 5 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.292 -0.011 19034 1971 1 5 . 1 1 12 12 ASN CA C 12 51.685 51.685 55.436 -3.751 19034 1972 1 5 . 1 1 12 12 ASN CB C 12 35.314 35.314 37.368 -2.054 19034 1973 1 5 . 1 1 12 12 ASN H H 12 8.842 8.842 9.077 -0.235 19034 1974 1 5 . 1 1 13 13 MET N N 13 118.202 118.202 117.544 0.658 19034 1975 1 5 . 1 1 13 13 MET HA H 13 3.952 3.952 4.334 -0.382 19034 1976 1 5 . 1 1 13 13 MET CA C 13 55.132 55.132 56.379 -1.246 19034 1977 1 5 . 1 1 13 13 MET CB C 13 31.944 31.944 33.248 -1.304 19034 1978 1 5 . 1 1 13 13 MET H H 13 8.519 8.519 8.171 0.348 19034 1979 1 5 . 1 1 14 14 VAL N N 14 110.436 110.436 110.929 -0.493 19034 1980 1 5 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.478 -0.026 19034 1981 1 5 . 1 1 14 14 VAL CA C 14 55.821 55.821 59.595 -3.774 19034 1982 1 5 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.598 -1.844 19034 1983 1 5 . 1 1 14 14 VAL H H 14 6.949 6.949 7.594 -0.645 19034 1984 1 5 . 1 1 15 15 LEU N N 15 123.248 123.248 120.055 3.193 19034 1985 1 5 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.896 -0.117 19034 1986 1 5 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.660 -2.779 19034 1987 1 5 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.452 -2.952 19034 1988 1 5 . 1 1 15 15 LEU H H 15 8.346 8.346 8.436 -0.090 19034 1989 1 5 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.433 -0.550 19034 1990 1 5 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.297 -8.191 19034 1991 1 5 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.970 -2.457 19034 1992 1 5 . 1 1 17 17 GLU N N 17 119.496 119.496 114.793 4.703 19034 1993 1 5 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.486 -0.375 19034 1994 1 5 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.219 -1.724 19034 1995 1 5 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.549 -2.661 19034 1996 1 5 . 1 1 17 17 GLU H H 17 7.754 7.754 8.355 -0.601 19034 1997 1 5 . 1 1 18 18 GLU N N 18 112.697 112.697 119.390 -6.693 19034 1998 1 5 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.639 -0.661 19034 1999 1 5 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.729 0.556 19034 2000 1 5 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.413 -4.337 19034 2001 1 5 . 1 1 18 18 GLU H H 18 8.975 8.975 7.834 1.141 19034 2002 1 5 . 1 1 19 19 LEU N N 19 113.096 113.096 121.045 -7.949 19034 2003 1 5 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.709 -0.290 19034 2004 1 5 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.526 -3.577 19034 2005 1 5 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.001 -1.658 19034 2006 1 5 . 1 1 19 19 LEU H H 19 7.266 7.266 7.956 -0.690 19034 2007 1 5 . 1 1 20 20 LEU N N 20 119.130 119.130 117.670 1.460 19034 2008 1 5 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.449 -0.411 19034 2009 1 5 . 1 1 20 20 LEU CA C 20 54.002 54.002 55.136 -1.134 19034 2010 1 5 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.033 -2.767 19034 2011 1 5 . 1 1 20 20 LEU H H 20 7.102 7.102 7.947 -0.845 19034 2012 1 5 . 1 1 21 21 ASP N N 21 120.713 120.713 121.727 -1.014 19034 2013 1 5 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.628 -0.021 19034 2014 1 5 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.629 -3.823 19034 2015 1 5 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.970 -0.403 19034 2016 1 5 . 1 1 21 21 ASP H H 21 8.071 8.071 8.065 0.006 19034 2017 1 5 . 1 1 22 22 ASP N N 22 126.353 126.353 125.641 0.712 19034 2018 1 5 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.205 0.037 19034 2019 1 5 . 1 1 22 22 ASP CA C 22 55.650 55.650 57.605 -1.955 19034 2020 1 5 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.981 -2.898 19034 2021 1 5 . 1 1 22 22 ASP H H 22 8.835 8.835 8.489 0.346 19034 2022 1 5 . 1 1 23 23 GLU N N 23 119.623 119.623 119.437 0.186 19034 2023 1 5 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.045 0.021 19034 2024 1 5 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.653 -2.813 19034 2025 1 5 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.464 -3.052 19034 2026 1 5 . 1 1 23 23 GLU H H 23 8.177 8.177 8.474 -0.297 19034 2027 1 5 . 1 1 24 24 GLU N N 24 121.959 121.959 119.773 2.186 19034 2028 1 5 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.071 -0.075 19034 2029 1 5 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.315 -2.954 19034 2030 1 5 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.340 -2.883 19034 2031 1 5 . 1 1 24 24 GLU H H 24 8.218 8.218 8.398 -0.180 19034 2032 1 5 . 1 1 25 25 TYR N N 25 119.522 119.522 119.545 -0.023 19034 2033 1 5 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.098 -0.147 19034 2034 1 5 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.975 -2.329 19034 2035 1 5 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.520 -2.515 19034 2036 1 5 . 1 1 25 25 TYR H H 25 8.694 8.694 8.100 0.594 19034 2037 1 5 . 1 1 26 26 GLU N N 26 116.410 116.410 117.955 -1.545 19034 2038 1 5 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.088 -0.386 19034 2039 1 5 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.094 -2.765 19034 2040 1 5 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.876 -3.698 19034 2041 1 5 . 1 1 26 26 GLU H H 26 7.852 7.852 8.086 -0.234 19034 2042 1 5 . 1 1 27 27 GLU N N 27 118.895 118.895 119.770 -0.875 19034 2043 1 5 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.070 -0.149 19034 2044 1 5 . 1 1 27 27 GLU CA C 27 56.445 56.445 58.848 -2.403 19034 2045 1 5 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.346 -3.106 19034 2046 1 5 . 1 1 27 27 GLU H H 27 7.555 7.555 8.055 -0.500 19034 2047 1 5 . 1 1 28 28 ILE N N 28 121.720 121.720 120.159 1.561 19034 2048 1 5 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.670 -0.028 19034 2049 1 5 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.274 -2.919 19034 2050 1 5 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.790 -2.724 19034 2051 1 5 . 1 1 28 28 ILE H H 28 7.918 7.918 8.255 -0.337 19034 2052 1 5 . 1 1 29 29 VAL N N 29 119.336 119.336 117.721 1.615 19034 2053 1 5 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.605 -0.570 19034 2054 1 5 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.234 -1.627 19034 2055 1 5 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.821 -1.757 19034 2056 1 5 . 1 1 29 29 VAL H H 29 7.832 7.832 7.547 0.285 19034 2057 1 5 . 1 1 30 30 GLU N N 30 116.291 116.291 119.210 -2.919 19034 2058 1 5 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.167 -0.290 19034 2059 1 5 . 1 1 30 30 GLU CA C 30 56.061 56.061 58.928 -2.867 19034 2060 1 5 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.452 -3.341 19034 2061 1 5 . 1 1 30 30 GLU H H 30 7.405 7.405 7.640 -0.235 19034 2062 1 5 . 1 1 31 31 ASP N N 31 120.811 120.811 121.330 -0.519 19034 2063 1 5 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.442 -0.068 19034 2064 1 5 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.285 -2.753 19034 2065 1 5 . 1 1 31 31 ASP CB C 31 37.285 37.285 41.343 -4.058 19034 2066 1 5 . 1 1 31 31 ASP H H 31 8.471 8.471 7.749 0.722 19034 2067 1 5 . 1 1 32 32 VAL N N 32 121.006 121.006 119.773 1.233 19034 2068 1 5 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.604 -0.193 19034 2069 1 5 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.177 -0.962 19034 2070 1 5 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.531 -2.986 19034 2071 1 5 . 1 1 32 32 VAL H H 32 8.655 8.655 8.364 0.291 19034 2072 1 5 . 1 1 33 33 ARG N N 33 122.143 122.143 120.378 1.765 19034 2073 1 5 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.919 -0.426 19034 2074 1 5 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.550 -1.119 19034 2075 1 5 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.715 -2.483 19034 2076 1 5 . 1 1 33 33 ARG H H 33 8.507 8.507 7.463 1.044 19034 2077 1 5 . 1 1 34 34 ASP N N 34 120.971 120.971 118.217 2.754 19034 2078 1 5 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.339 -0.083 19034 2079 1 5 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.408 -2.308 19034 2080 1 5 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.779 -2.703 19034 2081 1 5 . 1 1 34 34 ASP H H 34 8.633 8.633 7.659 0.974 19034 2082 1 5 . 1 1 35 35 GLU N N 35 119.918 119.918 118.675 1.243 19034 2083 1 5 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.136 -0.072 19034 2084 1 5 . 1 1 35 35 GLU CA C 35 56.431 56.431 59.004 -2.573 19034 2085 1 5 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.346 -2.486 19034 2086 1 5 . 1 1 35 35 GLU H H 35 8.184 8.184 7.970 0.214 19034 2087 1 5 . 1 1 36 36 CYS N N 36 114.288 114.288 118.263 -3.975 19034 2088 1 5 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.690 -0.316 19034 2089 1 5 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.626 0.917 19034 2090 1 5 . 1 1 36 36 CYS CB C 36 24.910 24.910 29.015 -4.105 19034 2091 1 5 . 1 1 36 36 CYS H H 36 8.584 8.584 7.774 0.810 19034 2092 1 5 . 1 1 37 37 SER N N 37 114.987 114.987 117.315 -2.328 19034 2093 1 5 . 1 1 37 37 SER HA H 37 5.135 5.135 4.351 0.784 19034 2094 1 5 . 1 1 37 37 SER CA C 37 58.124 58.124 61.367 -3.243 19034 2095 1 5 . 1 1 37 37 SER CB C 37 60.481 60.481 62.528 -2.047 19034 2096 1 5 . 1 1 37 37 SER H H 37 8.164 8.164 8.018 0.146 19034 2097 1 5 . 1 1 38 38 LYS N N 38 119.574 119.574 121.122 -1.548 19034 2098 1 5 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.001 -0.197 19034 2099 1 5 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.873 -3.382 19034 2100 1 5 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.393 -3.022 19034 2101 1 5 . 1 1 38 38 LYS H H 38 7.111 7.111 7.742 -0.631 19034 2102 1 5 . 1 1 39 39 TYR N N 39 116.372 116.372 116.125 0.247 19034 2103 1 5 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.607 -0.303 19034 2104 1 5 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.159 -2.235 19034 2105 1 5 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.457 -2.335 19034 2106 1 5 . 1 1 39 39 TYR H H 39 7.576 7.576 8.101 -0.525 19034 2107 1 5 . 1 1 40 40 GLY N N 40 103.718 103.718 105.692 -1.974 19034 2108 1 5 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.030 -2.844 19034 2109 1 5 . 1 1 40 40 GLY H H 40 7.380 7.380 7.703 -0.323 19034 2110 1 5 . 1 1 41 41 LEU N N 41 118.877 118.877 122.613 -3.736 19034 2111 1 5 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.552 -0.220 19034 2112 1 5 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.309 -0.239 19034 2113 1 5 . 1 1 41 41 LEU CB C 41 39.959 39.959 42.452 -2.493 19034 2114 1 5 . 1 1 41 41 LEU H H 41 8.260 8.260 8.212 0.048 19034 2115 1 5 . 1 1 42 42 VAL N N 42 127.032 127.032 127.230 -0.198 19034 2116 1 5 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.625 -0.118 19034 2117 1 5 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.006 -3.058 19034 2118 1 5 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.284 -1.282 19034 2119 1 5 . 1 1 42 42 VAL H H 42 8.598 8.598 8.384 0.214 19034 2120 1 5 . 1 1 43 43 LYS N N 43 130.977 130.977 128.832 2.145 19034 2121 1 5 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.117 0.009 19034 2122 1 5 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.451 -3.429 19034 2123 1 5 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.237 -1.144 19034 2124 1 5 . 1 1 43 43 LYS H H 43 9.307 9.307 8.773 0.534 19034 2125 1 5 . 1 1 44 44 SER N N 44 110.453 110.453 108.802 1.651 19034 2126 1 5 . 1 1 44 44 SER HA H 44 4.492 4.492 4.774 -0.282 19034 2127 1 5 . 1 1 44 44 SER CA C 44 55.890 55.890 57.781 -1.891 19034 2128 1 5 . 1 1 44 44 SER CB C 44 62.940 62.940 65.928 -2.989 19034 2129 1 5 . 1 1 44 44 SER H H 44 7.938 7.938 7.990 -0.052 19034 2130 1 5 . 1 1 45 45 ILE N N 45 118.542 118.542 119.225 -0.683 19034 2131 1 5 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.994 0.056 19034 2132 1 5 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.550 -3.019 19034 2133 1 5 . 1 1 45 45 ILE CB C 45 40.320 40.320 42.254 -1.933 19034 2134 1 5 . 1 1 45 45 ILE H H 45 8.136 8.136 8.485 -0.349 19034 2135 1 5 . 1 1 46 46 GLU N N 46 125.456 125.456 124.498 0.958 19034 2136 1 5 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.724 -0.024 19034 2137 1 5 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.497 -2.030 19034 2138 1 5 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.898 -2.135 19034 2139 1 5 . 1 1 46 46 GLU H H 46 9.364 9.364 9.144 0.220 19034 2140 1 5 . 1 1 47 47 ILE N N 47 122.471 122.471 126.129 -3.658 19034 2141 1 5 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.703 0.002 19034 2142 1 5 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.573 -2.238 19034 2143 1 5 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.113 -2.325 19034 2144 1 5 . 1 1 47 47 ILE H H 47 8.672 8.672 8.685 -0.013 19034 2145 1 5 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.243 -2.367 19034 2146 1 5 . 1 1 49 49 ARG N N 49 120.907 120.907 123.047 -2.140 19034 2147 1 5 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.602 0.105 19034 2148 1 5 . 1 1 49 49 ARG CB C 49 29.928 29.928 29.805 0.123 19034 2149 1 5 . 1 1 49 49 ARG H H 49 7.944 7.944 8.393 -0.449 19034 2150 1 5 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.378 0.014 19034 2151 1 5 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.705 -2.077 19034 2152 1 5 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.412 -2.786 19034 2153 1 5 . 1 1 51 51 VAL N N 51 121.425 121.425 121.887 -0.462 19034 2154 1 5 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.216 -0.229 19034 2155 1 5 . 1 1 51 51 VAL CA C 51 58.857 58.857 60.877 -2.020 19034 2156 1 5 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.763 0.475 19034 2157 1 5 . 1 1 51 51 VAL H H 51 7.992 7.992 8.267 -0.275 19034 2158 1 5 . 1 1 52 52 ASP N N 52 127.160 127.160 129.587 -2.427 19034 2159 1 5 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.310 -0.073 19034 2160 1 5 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.043 -1.755 19034 2161 1 5 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.460 -2.510 19034 2162 1 5 . 1 1 52 52 ASP H H 52 8.746 8.746 9.160 -0.414 19034 2163 1 5 . 1 1 53 53 GLY N N 53 108.483 108.483 104.637 3.846 19034 2164 1 5 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.144 -2.170 19034 2165 1 5 . 1 1 53 53 GLY H H 53 8.589 8.589 8.598 -0.009 19034 2166 1 5 . 1 1 54 54 VAL N N 54 120.874 120.874 122.771 -1.897 19034 2167 1 5 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.266 -0.107 19034 2168 1 5 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.824 -2.335 19034 2169 1 5 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.316 -1.283 19034 2170 1 5 . 1 1 54 54 VAL H H 54 7.804 7.804 7.589 0.215 19034 2171 1 5 . 1 1 55 55 GLU N N 55 126.140 126.140 125.859 0.281 19034 2172 1 5 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.129 0.044 19034 2173 1 5 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.752 -3.057 19034 2174 1 5 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.361 -3.601 19034 2175 1 5 . 1 1 55 55 GLU H H 55 8.578 8.578 8.570 0.008 19034 2176 1 5 . 1 1 56 56 VAL N N 56 124.648 124.648 118.364 6.284 19034 2177 1 5 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.582 -0.227 19034 2178 1 5 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.081 -1.011 19034 2179 1 5 . 1 1 56 56 VAL CB C 56 29.806 29.806 34.289 -4.483 19034 2180 1 5 . 1 1 56 56 VAL H H 56 7.661 7.661 8.099 -0.438 19034 2181 1 5 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.562 -0.445 19034 2182 1 5 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.785 -2.544 19034 2183 1 5 . 1 1 57 57 PRO CB C 57 29.245 29.245 29.997 -0.752 19034 2184 1 5 . 1 1 58 58 GLY N N 58 109.755 109.755 111.916 -2.161 19034 2185 1 5 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.007 -2.160 19034 2186 1 5 . 1 1 58 58 GLY H H 58 8.577 8.577 8.306 0.271 19034 2187 1 5 . 1 1 59 59 CYS N N 59 118.400 118.400 121.797 -3.397 19034 2188 1 5 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.642 -0.587 19034 2189 1 5 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.851 -1.527 19034 2190 1 5 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.133 -3.954 19034 2191 1 5 . 1 1 59 59 CYS H H 59 7.631 7.631 8.243 -0.612 19034 2192 1 5 . 1 1 60 60 GLY N N 60 119.002 119.002 116.198 2.804 19034 2193 1 5 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.721 -3.582 19034 2194 1 5 . 1 1 60 60 GLY H H 60 10.447 10.447 8.726 1.722 19034 2195 1 5 . 1 1 61 61 LYS N N 61 122.250 122.250 118.975 3.275 19034 2196 1 5 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.939 -0.608 19034 2197 1 5 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.566 -1.623 19034 2198 1 5 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.724 -1.550 19034 2199 1 5 . 1 1 61 61 LYS H H 61 8.233 8.233 7.395 0.838 19034 2200 1 5 . 1 1 62 62 ILE N N 62 118.312 118.312 118.920 -0.608 19034 2201 1 5 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.539 -0.243 19034 2202 1 5 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.526 -2.140 19034 2203 1 5 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.007 -3.004 19034 2204 1 5 . 1 1 62 62 ILE H H 62 7.272 7.272 8.114 -0.842 19034 2205 1 5 . 1 1 63 63 PHE N N 63 125.445 125.445 122.589 2.856 19034 2206 1 5 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.496 -0.196 19034 2207 1 5 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.189 -2.695 19034 2208 1 5 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.101 -2.310 19034 2209 1 5 . 1 1 63 63 PHE H H 63 8.876 8.876 8.873 0.003 19034 2210 1 5 . 1 1 64 64 VAL N N 64 122.504 122.504 120.324 2.180 19034 2211 1 5 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.922 -0.602 19034 2212 1 5 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.320 -2.792 19034 2213 1 5 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.779 -4.207 19034 2214 1 5 . 1 1 64 64 VAL H H 64 9.161 9.161 9.385 -0.224 19034 2215 1 5 . 1 1 65 65 GLU N N 65 127.687 127.687 122.304 5.383 19034 2216 1 5 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.591 0.086 19034 2217 1 5 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.493 -3.048 19034 2218 1 5 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.208 -4.649 19034 2219 1 5 . 1 1 65 65 GLU H H 65 8.601 8.601 9.075 -0.474 19034 2220 1 5 . 1 1 66 66 PHE N N 66 126.672 126.672 123.268 3.404 19034 2221 1 5 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.431 -0.338 19034 2222 1 5 . 1 1 66 66 PHE CA C 66 55.185 55.185 55.498 -0.313 19034 2223 1 5 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.164 -3.023 19034 2224 1 5 . 1 1 66 66 PHE H H 66 9.352 9.352 9.074 0.278 19034 2225 1 5 . 1 1 67 67 THR N N 67 109.616 109.616 115.413 -5.797 19034 2226 1 5 . 1 1 67 67 THR HA H 67 4.248 4.248 4.421 -0.173 19034 2227 1 5 . 1 1 67 67 THR CA C 67 60.963 60.963 62.119 -1.156 19034 2228 1 5 . 1 1 67 67 THR CB C 67 66.974 66.974 68.466 -1.492 19034 2229 1 5 . 1 1 67 67 THR H H 67 9.072 9.072 8.384 0.688 19034 2230 1 5 . 1 1 68 68 SER N N 68 111.776 111.776 113.511 -1.735 19034 2231 1 5 . 1 1 68 68 SER HA H 68 4.922 4.922 5.141 -0.219 19034 2232 1 5 . 1 1 68 68 SER CA C 68 53.411 53.411 57.328 -3.917 19034 2233 1 5 . 1 1 68 68 SER CB C 68 63.507 63.507 65.940 -2.433 19034 2234 1 5 . 1 1 68 68 SER H H 68 7.511 7.511 7.617 -0.106 19034 2235 1 5 . 1 1 69 69 VAL N N 69 123.476 123.476 121.975 1.501 19034 2236 1 5 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.933 -0.528 19034 2237 1 5 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.376 -2.788 19034 2238 1 5 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.291 -2.413 19034 2239 1 5 . 1 1 69 69 VAL H H 69 8.854 8.854 9.313 -0.459 19034 2240 1 5 . 1 1 70 70 PHE N N 70 119.530 119.530 117.596 1.934 19034 2241 1 5 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.262 -0.033 19034 2242 1 5 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.522 -3.620 19034 2243 1 5 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.862 -2.599 19034 2244 1 5 . 1 1 70 70 PHE H H 70 7.673 7.673 8.599 -0.926 19034 2245 1 5 . 1 1 71 71 ASP N N 71 120.024 120.024 119.307 0.717 19034 2246 1 5 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.869 -0.693 19034 2247 1 5 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.283 -1.977 19034 2248 1 5 . 1 1 71 71 ASP CB C 71 37.867 37.867 42.497 -4.630 19034 2249 1 5 . 1 1 71 71 ASP H H 71 7.585 7.585 7.942 -0.357 19034 2250 1 5 . 1 1 72 72 CYS N N 72 119.689 119.689 120.971 -1.282 19034 2251 1 5 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.358 -0.562 19034 2252 1 5 . 1 1 72 72 CYS CA C 72 57.147 57.147 63.427 -6.280 19034 2253 1 5 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.431 -2.082 19034 2254 1 5 . 1 1 72 72 CYS H H 72 7.087 7.087 8.280 -1.193 19034 2255 1 5 . 1 1 73 73 GLN N N 73 117.350 117.350 117.625 -0.275 19034 2256 1 5 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.108 0.298 19034 2257 1 5 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.775 -2.414 19034 2258 1 5 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.484 -1.601 19034 2259 1 5 . 1 1 73 73 GLN H H 73 8.478 8.478 8.486 -0.008 19034 2260 1 5 . 1 1 74 74 LYS N N 74 119.692 119.692 119.754 -0.062 19034 2261 1 5 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.270 -0.496 19034 2262 1 5 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.513 -1.686 19034 2263 1 5 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.759 -3.257 19034 2264 1 5 . 1 1 74 74 LYS H H 74 7.468 7.468 7.926 -0.458 19034 2265 1 5 . 1 1 75 75 ALA N N 75 124.287 124.287 123.169 1.118 19034 2266 1 5 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.664 -1.069 19034 2267 1 5 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.042 -3.346 19034 2268 1 5 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.194 -1.103 19034 2269 1 5 . 1 1 75 75 ALA H H 75 7.549 7.549 7.911 -0.362 19034 2270 1 5 . 1 1 76 76 MET N N 76 118.919 118.919 118.832 0.087 19034 2271 1 5 . 1 1 76 76 MET HA H 76 3.490 3.490 3.808 -0.318 19034 2272 1 5 . 1 1 76 76 MET CA C 76 56.956 56.956 58.043 -1.087 19034 2273 1 5 . 1 1 76 76 MET CB C 76 28.966 28.966 32.007 -3.041 19034 2274 1 5 . 1 1 76 76 MET H H 76 8.700 8.700 8.327 0.373 19034 2275 1 5 . 1 1 77 77 GLN N N 77 118.282 118.282 116.516 1.766 19034 2276 1 5 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.174 -0.318 19034 2277 1 5 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.273 -1.573 19034 2278 1 5 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.857 -3.076 19034 2279 1 5 . 1 1 77 77 GLN H H 77 7.798 7.798 8.274 -0.476 19034 2280 1 5 . 1 1 78 78 GLY N N 78 106.137 106.137 107.464 -1.327 19034 2281 1 5 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.385 -2.637 19034 2282 1 5 . 1 1 78 78 GLY H H 78 7.797 7.797 8.078 -0.281 19034 2283 1 5 . 1 1 79 79 LEU N N 79 118.753 118.753 118.014 0.739 19034 2284 1 5 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.562 -0.372 19034 2285 1 5 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.184 0.079 19034 2286 1 5 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.224 -1.310 19034 2287 1 5 . 1 1 79 79 LEU H H 79 8.039 8.039 7.534 0.505 19034 2288 1 5 . 1 1 80 80 THR N N 80 114.360 114.360 117.119 -2.759 19034 2289 1 5 . 1 1 80 80 THR HA H 80 3.550 3.550 3.916 -0.366 19034 2290 1 5 . 1 1 80 80 THR CA C 80 63.539 63.539 64.997 -1.458 19034 2291 1 5 . 1 1 80 80 THR CB C 80 66.102 66.102 67.768 -1.666 19034 2292 1 5 . 1 1 80 80 THR H H 80 7.177 7.177 7.345 -0.168 19034 2293 1 5 . 1 1 81 81 GLY N N 81 115.554 115.554 115.119 0.435 19034 2294 1 5 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.967 -1.974 19034 2295 1 5 . 1 1 81 81 GLY H H 81 8.680 8.680 8.053 0.627 19034 2296 1 5 . 1 1 82 82 ARG N N 82 120.945 120.945 121.350 -0.405 19034 2297 1 5 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.474 -0.381 19034 2298 1 5 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.484 -2.038 19034 2299 1 5 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.226 -3.078 19034 2300 1 5 . 1 1 82 82 ARG H H 82 7.520 7.520 7.759 -0.239 19034 2301 1 5 . 1 1 83 83 LYS N N 83 121.584 121.584 118.673 2.911 19034 2302 1 5 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.944 0.064 19034 2303 1 5 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.363 -2.641 19034 2304 1 5 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.317 -1.727 19034 2305 1 5 . 1 1 83 83 LYS H H 83 8.165 8.165 8.592 -0.427 19034 2306 1 5 . 1 1 84 84 PHE N N 84 125.104 125.104 123.082 2.022 19034 2307 1 5 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.635 -0.198 19034 2308 1 5 . 1 1 84 84 PHE CA C 84 54.773 54.773 58.147 -3.374 19034 2309 1 5 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.673 0.414 19034 2310 1 5 . 1 1 84 84 PHE H H 84 8.656 8.656 9.006 -0.350 19034 2311 1 5 . 1 1 85 85 ALA N N 85 127.849 127.849 120.889 6.960 19034 2312 1 5 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.112 -0.344 19034 2313 1 5 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.739 -1.691 19034 2314 1 5 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.326 -5.205 19034 2315 1 5 . 1 1 85 85 ALA H H 85 8.831 8.831 7.678 1.153 19034 2316 1 5 . 1 1 86 86 ASN N N 86 113.065 113.065 117.543 -4.478 19034 2317 1 5 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.810 -0.451 19034 2318 1 5 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.211 -1.802 19034 2319 1 5 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.636 -4.914 19034 2320 1 5 . 1 1 86 86 ASN H H 86 8.406 8.406 8.610 -0.204 19034 2321 1 5 . 1 1 87 87 ARG N N 87 121.167 121.167 119.284 1.883 19034 2322 1 5 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.586 -0.065 19034 2323 1 5 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.046 -2.260 19034 2324 1 5 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.014 -2.134 19034 2325 1 5 . 1 1 87 87 ARG H H 87 8.250 8.250 7.741 0.509 19034 2326 1 5 . 1 1 88 88 VAL N N 88 121.437 121.437 118.587 2.850 19034 2327 1 5 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.493 -0.219 19034 2328 1 5 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.018 -2.737 19034 2329 1 5 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.519 -2.229 19034 2330 1 5 . 1 1 88 88 VAL H H 88 8.279 8.279 8.242 0.037 19034 2331 1 5 . 1 1 89 89 VAL N N 89 127.754 127.754 120.978 6.776 19034 2332 1 5 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.442 -0.330 19034 2333 1 5 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.781 0.350 19034 2334 1 5 . 1 1 89 89 VAL CB C 89 30.108 30.108 35.950 -5.841 19034 2335 1 5 . 1 1 89 89 VAL H H 89 8.601 8.601 8.120 0.481 19034 2336 1 5 . 1 1 90 90 VAL N N 90 127.874 127.874 126.534 1.340 19034 2337 1 5 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.321 0.000 19034 2338 1 5 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.401 -1.912 19034 2339 1 5 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.954 -1.608 19034 2340 1 5 . 1 1 90 90 VAL H H 90 7.866 7.866 8.063 -0.197 19034 2341 1 5 . 1 1 91 91 THR N N 91 114.187 114.187 120.128 -5.941 19034 2342 1 5 . 1 1 91 91 THR HA H 91 5.528 5.528 4.745 0.783 19034 2343 1 5 . 1 1 91 91 THR CA C 91 56.193 56.193 60.926 -4.733 19034 2344 1 5 . 1 1 91 91 THR CB C 91 69.553 69.553 69.781 -0.228 19034 2345 1 5 . 1 1 91 91 THR H H 91 8.119 8.119 8.220 -0.101 19034 2346 1 5 . 1 1 92 92 LYS N N 92 116.111 116.111 121.755 -5.644 19034 2347 1 5 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.428 -0.082 19034 2348 1 5 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.751 -2.097 19034 2349 1 5 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.508 -2.620 19034 2350 1 5 . 1 1 92 92 LYS H H 92 8.199 8.199 8.802 -0.603 19034 2351 1 5 . 1 1 93 93 TYR N N 93 121.017 121.017 119.786 1.231 19034 2352 1 5 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.372 0.588 19034 2353 1 5 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.594 -3.184 19034 2354 1 5 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.818 -2.278 19034 2355 1 5 . 1 1 93 93 TYR H H 93 8.450 8.450 8.373 0.077 19034 2356 1 5 . 1 1 94 94 CYS N N 94 119.566 119.566 117.744 1.822 19034 2357 1 5 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.750 0.062 19034 2358 1 5 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.956 -2.955 19034 2359 1 5 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.818 -4.232 19034 2360 1 5 . 1 1 94 94 CYS H H 94 8.614 8.614 8.670 -0.056 19034 2361 1 5 . 1 1 95 95 ASP N N 95 128.707 128.707 120.294 8.413 19034 2362 1 5 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.000 -0.163 19034 2363 1 5 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.433 -2.423 19034 2364 1 5 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.981 -3.265 19034 2365 1 5 . 1 1 95 95 ASP H H 95 8.969 8.969 8.765 0.204 19034 2366 1 5 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.270 -2.535 19034 2367 1 5 . 1 1 97 97 ASP N N 97 118.102 118.102 118.306 -0.204 19034 2368 1 5 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.526 -0.097 19034 2369 1 5 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.247 -2.206 19034 2370 1 5 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.138 -2.378 19034 2371 1 5 . 1 1 97 97 ASP H H 97 8.189 8.189 8.632 -0.443 19034 2372 1 5 . 1 1 98 98 SER N N 98 116.394 116.394 113.395 2.999 19034 2373 1 5 . 1 1 98 98 SER HA H 98 3.961 3.961 4.236 -0.275 19034 2374 1 5 . 1 1 98 98 SER CA C 98 59.519 59.519 60.829 -1.310 19034 2375 1 5 . 1 1 98 98 SER H H 98 7.792 7.792 8.294 -0.502 19034 2376 1 5 . 1 1 99 99 TYR N N 99 121.890 121.890 122.612 -0.722 19034 2377 1 5 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.205 -0.463 19034 2378 1 5 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.055 -2.258 19034 2379 1 5 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.527 -2.352 19034 2380 1 5 . 1 1 99 99 TYR H H 99 7.625 7.625 7.381 0.244 19034 2381 1 5 . 1 1 100 100 HIS N N 100 118.065 118.065 115.308 2.757 19034 2382 1 5 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.561 -0.431 19034 2383 1 5 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.318 -1.710 19034 2384 1 5 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.978 -4.184 19034 2385 1 5 . 1 1 100 100 HIS H H 100 8.425 8.425 7.934 0.491 19034 2386 1 5 . 1 1 101 101 ARG N N 101 116.756 116.756 119.416 -2.660 19034 2387 1 5 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.539 -0.438 19034 2388 1 5 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.366 -0.725 19034 2389 1 5 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.599 -3.490 19034 2390 1 5 . 1 1 101 101 ARG H H 101 7.406 7.406 7.477 -0.071 19034 2391 1 5 . 1 1 102 102 ARG N N 102 115.254 115.254 121.134 -5.880 19034 2392 1 5 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.629 -1.329 19034 2393 1 5 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.270 -1.684 19034 2394 1 5 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.513 -4.429 19034 2395 1 5 . 1 1 102 102 ARG H H 102 7.297 7.297 8.459 -1.162 19034 2396 1 5 . 1 1 103 103 ASP N N 103 119.588 119.588 123.556 -3.968 19034 2397 1 5 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.317 0.029 19034 2398 1 5 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.787 -4.206 19034 2399 1 5 . 1 1 103 103 ASP CB C 103 37.749 37.749 42.394 -4.645 19034 2400 1 5 . 1 1 103 103 ASP H H 103 7.467 7.467 6.859 0.608 19034 2401 1 5 . 1 1 104 104 PHE N N 104 120.438 120.438 121.854 -1.416 19034 2402 1 5 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.758 -0.418 19034 2403 1 5 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.651 -3.950 19034 2404 1 5 . 1 1 104 104 PHE CB C 104 36.842 36.842 40.862 -4.020 19034 2405 1 5 . 1 1 104 104 PHE H H 104 7.138 7.138 7.452 -0.314 19034 2406 1 6 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.347 -2.890 19034 2407 1 6 . 1 1 3 3 HIS N N 3 118.891 118.891 118.910 -0.019 19034 2408 1 6 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.918 -0.085 19034 2409 1 6 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.350 -2.832 19034 2410 1 6 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.974 -3.562 19034 2411 1 6 . 1 1 3 3 HIS H H 3 8.079 8.079 7.819 0.260 19034 2412 1 6 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.976 -1.960 19034 2413 1 6 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.606 -2.639 19034 2414 1 6 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.445 -2.507 19034 2415 1 6 . 1 1 5 5 THR N N 5 113.236 113.236 113.960 -0.724 19034 2416 1 6 . 1 1 5 5 THR HA H 5 4.430 4.430 4.510 -0.080 19034 2417 1 6 . 1 1 5 5 THR CA C 5 56.748 56.748 59.422 -2.674 19034 2418 1 6 . 1 1 5 5 THR CB C 5 69.859 69.859 72.091 -2.232 19034 2419 1 6 . 1 1 5 5 THR H H 5 6.242 6.242 7.547 -1.305 19034 2420 1 6 . 1 1 6 6 GLU N N 6 114.417 114.417 117.527 -3.110 19034 2421 1 6 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.256 -0.081 19034 2422 1 6 . 1 1 6 6 GLU CA C 6 55.424 55.424 56.987 -1.563 19034 2423 1 6 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.193 -3.064 19034 2424 1 6 . 1 1 6 6 GLU H H 6 10.185 10.185 8.511 1.674 19034 2425 1 6 . 1 1 7 7 VAL N N 7 119.290 119.290 121.106 -1.816 19034 2426 1 6 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.645 0.393 19034 2427 1 6 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.319 -3.043 19034 2428 1 6 . 1 1 7 7 VAL CB C 7 30.522 30.522 31.584 -1.062 19034 2429 1 6 . 1 1 7 7 VAL H H 7 8.270 8.270 7.778 0.492 19034 2430 1 6 . 1 1 8 8 LEU N N 8 130.138 130.138 128.595 1.543 19034 2431 1 6 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.790 -0.149 19034 2432 1 6 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.580 -3.792 19034 2433 1 6 . 1 1 8 8 LEU CB C 8 43.885 43.885 45.838 -1.953 19034 2434 1 6 . 1 1 8 8 LEU H H 8 9.316 9.316 9.142 0.174 19034 2435 1 6 . 1 1 9 9 CYS N N 9 123.769 123.769 122.635 1.134 19034 2436 1 6 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.102 -0.063 19034 2437 1 6 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.865 -3.617 19034 2438 1 6 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.846 -3.618 19034 2439 1 6 . 1 1 9 9 CYS H H 9 8.902 8.902 9.083 -0.181 19034 2440 1 6 . 1 1 10 10 LEU N N 10 127.313 127.313 127.478 -0.165 19034 2441 1 6 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.169 -0.585 19034 2442 1 6 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.459 -2.091 19034 2443 1 6 . 1 1 10 10 LEU CB C 10 40.709 40.709 45.062 -4.353 19034 2444 1 6 . 1 1 10 10 LEU H H 10 9.203 9.203 8.791 0.412 19034 2445 1 6 . 1 1 11 11 MET N N 11 124.158 124.158 120.213 3.945 19034 2446 1 6 . 1 1 11 11 MET HA H 11 4.481 4.481 5.112 -0.631 19034 2447 1 6 . 1 1 11 11 MET CA C 11 52.655 52.655 53.763 -1.107 19034 2448 1 6 . 1 1 11 11 MET CB C 11 33.156 33.156 36.735 -3.579 19034 2449 1 6 . 1 1 11 11 MET H H 11 9.161 9.161 8.928 0.233 19034 2450 1 6 . 1 1 12 12 ASN N N 12 114.067 114.067 115.679 -1.612 19034 2451 1 6 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.353 -0.072 19034 2452 1 6 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.442 -2.757 19034 2453 1 6 . 1 1 12 12 ASN CB C 12 35.314 35.314 37.186 -1.872 19034 2454 1 6 . 1 1 12 12 ASN H H 12 8.842 8.842 8.874 -0.032 19034 2455 1 6 . 1 1 13 13 MET N N 13 118.202 118.202 118.096 0.106 19034 2456 1 6 . 1 1 13 13 MET HA H 13 3.952 3.952 4.620 -0.668 19034 2457 1 6 . 1 1 13 13 MET CA C 13 55.132 55.132 56.252 -1.120 19034 2458 1 6 . 1 1 13 13 MET CB C 13 31.944 31.944 35.110 -3.166 19034 2459 1 6 . 1 1 13 13 MET H H 13 8.519 8.519 8.226 0.293 19034 2460 1 6 . 1 1 14 14 VAL N N 14 110.436 110.436 115.076 -4.640 19034 2461 1 6 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.392 0.060 19034 2462 1 6 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.378 -4.557 19034 2463 1 6 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.751 -0.997 19034 2464 1 6 . 1 1 14 14 VAL H H 14 6.949 6.949 7.708 -0.759 19034 2465 1 6 . 1 1 15 15 LEU N N 15 123.248 123.248 121.561 1.687 19034 2466 1 6 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.854 -0.075 19034 2467 1 6 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.481 -2.600 19034 2468 1 6 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.668 -3.168 19034 2469 1 6 . 1 1 15 15 LEU H H 15 8.346 8.346 8.451 -0.105 19034 2470 1 6 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.360 -0.477 19034 2471 1 6 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.502 -8.396 19034 2472 1 6 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.647 -2.134 19034 2473 1 6 . 1 1 17 17 GLU N N 17 119.496 119.496 114.909 4.587 19034 2474 1 6 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.504 -0.393 19034 2475 1 6 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.573 -2.078 19034 2476 1 6 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.523 -2.635 19034 2477 1 6 . 1 1 17 17 GLU H H 17 7.754 7.754 8.625 -0.871 19034 2478 1 6 . 1 1 18 18 GLU N N 18 112.697 112.697 118.828 -6.131 19034 2479 1 6 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.481 -0.503 19034 2480 1 6 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.422 -0.137 19034 2481 1 6 . 1 1 18 18 GLU CB C 18 26.076 26.076 32.185 -6.109 19034 2482 1 6 . 1 1 18 18 GLU H H 18 8.975 8.975 8.128 0.847 19034 2483 1 6 . 1 1 19 19 LEU N N 19 113.096 113.096 120.325 -7.229 19034 2484 1 6 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.639 -0.220 19034 2485 1 6 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.538 -4.589 19034 2486 1 6 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.119 -1.776 19034 2487 1 6 . 1 1 19 19 LEU H H 19 7.266 7.266 7.521 -0.255 19034 2488 1 6 . 1 1 20 20 LEU N N 20 119.130 119.130 117.324 1.806 19034 2489 1 6 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.400 -0.362 19034 2490 1 6 . 1 1 20 20 LEU CA C 20 54.002 54.002 55.280 -1.278 19034 2491 1 6 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.354 -2.088 19034 2492 1 6 . 1 1 20 20 LEU H H 20 7.102 7.102 7.543 -0.441 19034 2493 1 6 . 1 1 21 21 ASP N N 21 120.713 120.713 119.793 0.920 19034 2494 1 6 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.768 -0.161 19034 2495 1 6 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.496 -3.690 19034 2496 1 6 . 1 1 21 21 ASP CB C 21 40.567 40.567 42.371 -1.804 19034 2497 1 6 . 1 1 21 21 ASP H H 21 8.071 8.071 7.691 0.380 19034 2498 1 6 . 1 1 22 22 ASP N N 22 126.353 126.353 123.344 3.009 19034 2499 1 6 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.393 -0.151 19034 2500 1 6 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.170 -0.520 19034 2501 1 6 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.191 -3.108 19034 2502 1 6 . 1 1 22 22 ASP H H 22 8.835 8.835 8.832 0.003 19034 2503 1 6 . 1 1 23 23 GLU N N 23 119.623 119.623 119.281 0.342 19034 2504 1 6 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.252 -0.186 19034 2505 1 6 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.270 -1.430 19034 2506 1 6 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.564 -3.152 19034 2507 1 6 . 1 1 23 23 GLU H H 23 8.177 8.177 8.385 -0.208 19034 2508 1 6 . 1 1 24 24 GLU N N 24 121.959 121.959 120.975 0.984 19034 2509 1 6 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.321 -0.325 19034 2510 1 6 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.283 -2.922 19034 2511 1 6 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.277 -2.820 19034 2512 1 6 . 1 1 24 24 GLU H H 24 8.218 8.218 8.547 -0.329 19034 2513 1 6 . 1 1 25 25 TYR N N 25 119.522 119.522 119.806 -0.284 19034 2514 1 6 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.053 -0.102 19034 2515 1 6 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.663 -2.016 19034 2516 1 6 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.605 -2.600 19034 2517 1 6 . 1 1 25 25 TYR H H 25 8.694 8.694 8.437 0.257 19034 2518 1 6 . 1 1 26 26 GLU N N 26 116.410 116.410 118.281 -1.871 19034 2519 1 6 . 1 1 26 26 GLU HA H 26 3.702 3.702 3.939 -0.237 19034 2520 1 6 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.397 -3.068 19034 2521 1 6 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.618 -3.440 19034 2522 1 6 . 1 1 26 26 GLU H H 26 7.852 7.852 8.179 -0.327 19034 2523 1 6 . 1 1 27 27 GLU N N 27 118.895 118.895 119.460 -0.565 19034 2524 1 6 . 1 1 27 27 GLU HA H 27 3.921 3.921 3.971 -0.050 19034 2525 1 6 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.449 -3.004 19034 2526 1 6 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.556 -3.316 19034 2527 1 6 . 1 1 27 27 GLU H H 27 7.555 7.555 7.614 -0.059 19034 2528 1 6 . 1 1 28 28 ILE N N 28 121.720 121.720 119.283 2.437 19034 2529 1 6 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.654 -0.012 19034 2530 1 6 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.058 -2.703 19034 2531 1 6 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.739 -2.673 19034 2532 1 6 . 1 1 28 28 ILE H H 28 7.918 7.918 7.298 0.620 19034 2533 1 6 . 1 1 29 29 VAL N N 29 119.336 119.336 119.613 -0.277 19034 2534 1 6 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.403 -0.368 19034 2535 1 6 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.992 -2.385 19034 2536 1 6 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.202 -2.138 19034 2537 1 6 . 1 1 29 29 VAL H H 29 7.832 7.832 7.391 0.441 19034 2538 1 6 . 1 1 30 30 GLU N N 30 116.291 116.291 118.638 -2.347 19034 2539 1 6 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.986 -0.109 19034 2540 1 6 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.120 -3.059 19034 2541 1 6 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.305 -3.193 19034 2542 1 6 . 1 1 30 30 GLU H H 30 7.405 7.405 7.839 -0.434 19034 2543 1 6 . 1 1 31 31 ASP N N 31 120.811 120.811 120.539 0.272 19034 2544 1 6 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.386 -0.012 19034 2545 1 6 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.122 -2.590 19034 2546 1 6 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.559 -3.274 19034 2547 1 6 . 1 1 31 31 ASP H H 31 8.471 8.471 7.755 0.716 19034 2548 1 6 . 1 1 32 32 VAL N N 32 121.006 121.006 119.272 1.734 19034 2549 1 6 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.423 -0.012 19034 2550 1 6 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.621 -1.406 19034 2551 1 6 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.431 -2.886 19034 2552 1 6 . 1 1 32 32 VAL H H 32 8.655 8.655 7.317 1.338 19034 2553 1 6 . 1 1 33 33 ARG N N 33 122.143 122.143 120.035 2.108 19034 2554 1 6 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.904 -0.411 19034 2555 1 6 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.319 -0.888 19034 2556 1 6 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.866 -2.634 19034 2557 1 6 . 1 1 33 33 ARG H H 33 8.507 8.507 7.631 0.876 19034 2558 1 6 . 1 1 34 34 ASP N N 34 120.971 120.971 119.255 1.716 19034 2559 1 6 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.367 -0.111 19034 2560 1 6 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.192 -2.092 19034 2561 1 6 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.851 -2.775 19034 2562 1 6 . 1 1 34 34 ASP H H 34 8.633 8.633 7.796 0.837 19034 2563 1 6 . 1 1 35 35 GLU N N 35 119.918 119.918 119.803 0.115 19034 2564 1 6 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.071 -0.007 19034 2565 1 6 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.990 -2.559 19034 2566 1 6 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.338 -2.478 19034 2567 1 6 . 1 1 35 35 GLU H H 35 8.184 8.184 7.801 0.383 19034 2568 1 6 . 1 1 36 36 CYS N N 36 114.288 114.288 118.284 -3.996 19034 2569 1 6 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.502 -0.128 19034 2570 1 6 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.738 0.805 19034 2571 1 6 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.377 -2.467 19034 2572 1 6 . 1 1 36 36 CYS H H 36 8.584 8.584 8.624 -0.040 19034 2573 1 6 . 1 1 37 37 SER N N 37 114.987 114.987 116.480 -1.493 19034 2574 1 6 . 1 1 37 37 SER HA H 37 5.135 5.135 4.391 0.744 19034 2575 1 6 . 1 1 37 37 SER CA C 37 58.124 58.124 61.489 -3.365 19034 2576 1 6 . 1 1 37 37 SER CB C 37 60.481 60.481 62.693 -2.212 19034 2577 1 6 . 1 1 37 37 SER H H 37 8.164 8.164 7.854 0.310 19034 2578 1 6 . 1 1 38 38 LYS N N 38 119.574 119.574 120.537 -0.963 19034 2579 1 6 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.978 -0.174 19034 2580 1 6 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.347 -2.857 19034 2581 1 6 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.228 -2.857 19034 2582 1 6 . 1 1 38 38 LYS H H 38 7.111 7.111 7.570 -0.459 19034 2583 1 6 . 1 1 39 39 TYR N N 39 116.372 116.372 116.126 0.246 19034 2584 1 6 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.674 -0.370 19034 2585 1 6 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.513 -1.589 19034 2586 1 6 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.557 -2.435 19034 2587 1 6 . 1 1 39 39 TYR H H 39 7.576 7.576 7.767 -0.191 19034 2588 1 6 . 1 1 40 40 GLY N N 40 103.718 103.718 107.438 -3.720 19034 2589 1 6 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.487 -3.301 19034 2590 1 6 . 1 1 40 40 GLY H H 40 7.380 7.380 7.729 -0.349 19034 2591 1 6 . 1 1 41 41 LEU N N 41 118.877 118.877 122.880 -4.003 19034 2592 1 6 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.929 -0.597 19034 2593 1 6 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.423 -1.353 19034 2594 1 6 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.462 -5.503 19034 2595 1 6 . 1 1 41 41 LEU H H 41 8.260 8.260 8.339 -0.079 19034 2596 1 6 . 1 1 42 42 VAL N N 42 127.032 127.032 126.433 0.599 19034 2597 1 6 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.506 0.001 19034 2598 1 6 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.543 -2.595 19034 2599 1 6 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.715 -1.713 19034 2600 1 6 . 1 1 42 42 VAL H H 42 8.598 8.598 8.397 0.201 19034 2601 1 6 . 1 1 43 43 LYS N N 43 130.977 130.977 128.953 2.024 19034 2602 1 6 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.152 -0.026 19034 2603 1 6 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.234 -3.212 19034 2604 1 6 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.158 -1.065 19034 2605 1 6 . 1 1 43 43 LYS H H 43 9.307 9.307 8.884 0.423 19034 2606 1 6 . 1 1 44 44 SER N N 44 110.453 110.453 110.606 -0.153 19034 2607 1 6 . 1 1 44 44 SER HA H 44 4.492 4.492 4.776 -0.284 19034 2608 1 6 . 1 1 44 44 SER CA C 44 55.890 55.890 57.545 -1.655 19034 2609 1 6 . 1 1 44 44 SER CB C 44 62.940 62.940 66.843 -3.903 19034 2610 1 6 . 1 1 44 44 SER H H 44 7.938 7.938 7.528 0.410 19034 2611 1 6 . 1 1 45 45 ILE N N 45 118.542 118.542 120.871 -2.329 19034 2612 1 6 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.772 0.278 19034 2613 1 6 . 1 1 45 45 ILE CA C 45 57.531 57.531 61.050 -3.519 19034 2614 1 6 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.744 -1.424 19034 2615 1 6 . 1 1 45 45 ILE H H 45 8.136 8.136 8.527 -0.391 19034 2616 1 6 . 1 1 46 46 GLU N N 46 125.456 125.456 126.953 -1.497 19034 2617 1 6 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.823 -0.123 19034 2618 1 6 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.842 -3.375 19034 2619 1 6 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.827 -2.063 19034 2620 1 6 . 1 1 46 46 GLU H H 46 9.364 9.364 9.337 0.027 19034 2621 1 6 . 1 1 47 47 ILE N N 47 122.471 122.471 126.682 -4.211 19034 2622 1 6 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.655 0.050 19034 2623 1 6 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.152 -1.817 19034 2624 1 6 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.396 -1.608 19034 2625 1 6 . 1 1 47 47 ILE H H 47 8.672 8.672 8.549 0.123 19034 2626 1 6 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.118 -2.242 19034 2627 1 6 . 1 1 49 49 ARG N N 49 120.907 120.907 123.409 -2.502 19034 2628 1 6 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.601 0.106 19034 2629 1 6 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.462 -0.534 19034 2630 1 6 . 1 1 49 49 ARG H H 49 7.944 7.944 8.232 -0.288 19034 2631 1 6 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.386 0.006 19034 2632 1 6 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.752 -2.124 19034 2633 1 6 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.791 -3.165 19034 2634 1 6 . 1 1 51 51 VAL N N 51 121.425 121.425 123.927 -2.502 19034 2635 1 6 . 1 1 51 51 VAL HA H 51 3.987 3.987 3.900 0.087 19034 2636 1 6 . 1 1 51 51 VAL CA C 51 58.857 58.857 62.522 -3.665 19034 2637 1 6 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.596 0.642 19034 2638 1 6 . 1 1 51 51 VAL H H 51 7.992 7.992 8.050 -0.058 19034 2639 1 6 . 1 1 52 52 ASP N N 52 127.160 127.160 128.993 -1.833 19034 2640 1 6 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.303 -0.066 19034 2641 1 6 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.824 -1.536 19034 2642 1 6 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.060 -2.110 19034 2643 1 6 . 1 1 52 52 ASP H H 52 8.746 8.746 8.956 -0.210 19034 2644 1 6 . 1 1 53 53 GLY N N 53 108.483 108.483 104.412 4.071 19034 2645 1 6 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.321 -2.347 19034 2646 1 6 . 1 1 53 53 GLY H H 53 8.589 8.589 8.378 0.211 19034 2647 1 6 . 1 1 54 54 VAL N N 54 120.874 120.874 120.044 0.830 19034 2648 1 6 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.245 -0.086 19034 2649 1 6 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.078 -2.589 19034 2650 1 6 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.095 -1.062 19034 2651 1 6 . 1 1 54 54 VAL H H 54 7.804 7.804 7.800 0.004 19034 2652 1 6 . 1 1 55 55 GLU N N 55 126.140 126.140 123.454 2.686 19034 2653 1 6 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.295 -0.122 19034 2654 1 6 . 1 1 55 55 GLU CA C 55 53.696 53.696 57.112 -3.416 19034 2655 1 6 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.159 -3.399 19034 2656 1 6 . 1 1 55 55 GLU H H 55 8.578 8.578 8.359 0.219 19034 2657 1 6 . 1 1 56 56 VAL N N 56 124.648 124.648 118.315 6.333 19034 2658 1 6 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.493 -0.138 19034 2659 1 6 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.274 -1.204 19034 2660 1 6 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.971 -3.165 19034 2661 1 6 . 1 1 56 56 VAL H H 56 7.661 7.661 8.014 -0.353 19034 2662 1 6 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.094 0.023 19034 2663 1 6 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.523 -2.283 19034 2664 1 6 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.277 -2.033 19034 2665 1 6 . 1 1 58 58 GLY N N 58 109.755 109.755 112.231 -2.476 19034 2666 1 6 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.099 -2.252 19034 2667 1 6 . 1 1 58 58 GLY H H 58 8.577 8.577 8.688 -0.111 19034 2668 1 6 . 1 1 59 59 CYS N N 59 118.400 118.400 121.315 -2.915 19034 2669 1 6 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.500 -0.445 19034 2670 1 6 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.002 -1.678 19034 2671 1 6 . 1 1 59 59 CYS CB C 59 24.178 24.178 27.906 -3.728 19034 2672 1 6 . 1 1 59 59 CYS H H 59 7.631 7.631 7.600 0.031 19034 2673 1 6 . 1 1 60 60 GLY N N 60 119.002 119.002 114.186 4.816 19034 2674 1 6 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.858 -3.719 19034 2675 1 6 . 1 1 60 60 GLY H H 60 10.447 10.447 8.805 1.643 19034 2676 1 6 . 1 1 61 61 LYS N N 61 122.250 122.250 119.531 2.719 19034 2677 1 6 . 1 1 61 61 LYS HA H 61 4.331 4.331 5.048 -0.717 19034 2678 1 6 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.353 -1.409 19034 2679 1 6 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.653 -1.480 19034 2680 1 6 . 1 1 61 61 LYS H H 61 8.233 8.233 7.186 1.047 19034 2681 1 6 . 1 1 62 62 ILE N N 62 118.312 118.312 120.062 -1.750 19034 2682 1 6 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.656 -0.360 19034 2683 1 6 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.602 -2.216 19034 2684 1 6 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.548 -2.545 19034 2685 1 6 . 1 1 62 62 ILE H H 62 7.272 7.272 8.333 -1.061 19034 2686 1 6 . 1 1 63 63 PHE N N 63 125.445 125.445 125.809 -0.364 19034 2687 1 6 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.222 0.078 19034 2688 1 6 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.930 -3.436 19034 2689 1 6 . 1 1 63 63 PHE CB C 63 39.791 39.791 40.759 -0.968 19034 2690 1 6 . 1 1 63 63 PHE H H 63 8.876 8.876 8.549 0.327 19034 2691 1 6 . 1 1 64 64 VAL N N 64 122.504 122.504 121.597 0.907 19034 2692 1 6 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.982 -0.662 19034 2693 1 6 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.476 -0.948 19034 2694 1 6 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.386 -3.815 19034 2695 1 6 . 1 1 64 64 VAL H H 64 9.161 9.161 9.173 -0.012 19034 2696 1 6 . 1 1 65 65 GLU N N 65 127.687 127.687 126.605 1.082 19034 2697 1 6 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.940 -0.263 19034 2698 1 6 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.020 -2.575 19034 2699 1 6 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.055 -4.496 19034 2700 1 6 . 1 1 65 65 GLU H H 65 8.601 8.601 8.631 -0.030 19034 2701 1 6 . 1 1 66 66 PHE N N 66 126.672 126.672 124.037 2.635 19034 2702 1 6 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.478 -0.385 19034 2703 1 6 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.514 -1.329 19034 2704 1 6 . 1 1 66 66 PHE CB C 66 39.141 39.141 43.053 -3.912 19034 2705 1 6 . 1 1 66 66 PHE H H 66 9.352 9.352 9.053 0.299 19034 2706 1 6 . 1 1 67 67 THR N N 67 109.616 109.616 115.323 -5.707 19034 2707 1 6 . 1 1 67 67 THR HA H 67 4.248 4.248 4.164 0.084 19034 2708 1 6 . 1 1 67 67 THR CA C 67 60.963 60.963 64.555 -3.592 19034 2709 1 6 . 1 1 67 67 THR CB C 67 66.974 66.974 69.459 -2.485 19034 2710 1 6 . 1 1 67 67 THR H H 67 9.072 9.072 8.584 0.488 19034 2711 1 6 . 1 1 68 68 SER N N 68 111.776 111.776 113.893 -2.117 19034 2712 1 6 . 1 1 68 68 SER HA H 68 4.922 4.922 4.821 0.101 19034 2713 1 6 . 1 1 68 68 SER CA C 68 53.411 53.411 57.197 -3.786 19034 2714 1 6 . 1 1 68 68 SER CB C 68 63.507 63.507 66.702 -3.195 19034 2715 1 6 . 1 1 68 68 SER H H 68 7.511 7.511 7.798 -0.287 19034 2716 1 6 . 1 1 69 69 VAL N N 69 123.476 123.476 123.782 -0.306 19034 2717 1 6 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.777 -0.372 19034 2718 1 6 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.695 -3.107 19034 2719 1 6 . 1 1 69 69 VAL CB C 69 28.878 28.878 32.025 -3.147 19034 2720 1 6 . 1 1 69 69 VAL H H 69 8.854 8.854 8.865 -0.011 19034 2721 1 6 . 1 1 70 70 PHE N N 70 119.530 119.530 117.690 1.840 19034 2722 1 6 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.267 -0.038 19034 2723 1 6 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.883 -2.981 19034 2724 1 6 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.220 -1.957 19034 2725 1 6 . 1 1 70 70 PHE H H 70 7.673 7.673 8.204 -0.531 19034 2726 1 6 . 1 1 71 71 ASP N N 71 120.024 120.024 119.649 0.375 19034 2727 1 6 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.697 -0.521 19034 2728 1 6 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.537 -2.231 19034 2729 1 6 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.077 -3.210 19034 2730 1 6 . 1 1 71 71 ASP H H 71 7.585 7.585 7.954 -0.369 19034 2731 1 6 . 1 1 72 72 CYS N N 72 119.689 119.689 117.433 2.256 19034 2732 1 6 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.107 -0.311 19034 2733 1 6 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.267 -4.120 19034 2734 1 6 . 1 1 72 72 CYS CB C 72 25.349 25.349 26.291 -0.942 19034 2735 1 6 . 1 1 72 72 CYS H H 72 7.087 7.087 7.549 -0.462 19034 2736 1 6 . 1 1 73 73 GLN N N 73 117.350 117.350 120.755 -3.405 19034 2737 1 6 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.047 0.359 19034 2738 1 6 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.904 -2.543 19034 2739 1 6 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.548 -1.665 19034 2740 1 6 . 1 1 73 73 GLN H H 73 8.478 8.478 7.757 0.721 19034 2741 1 6 . 1 1 74 74 LYS N N 74 119.692 119.692 119.240 0.452 19034 2742 1 6 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.131 -0.357 19034 2743 1 6 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.881 -2.054 19034 2744 1 6 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.383 -2.881 19034 2745 1 6 . 1 1 74 74 LYS H H 74 7.468 7.468 7.766 -0.298 19034 2746 1 6 . 1 1 75 75 ALA N N 75 124.287 124.287 123.121 1.166 19034 2747 1 6 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.646 -1.051 19034 2748 1 6 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.103 -3.407 19034 2749 1 6 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.063 -0.972 19034 2750 1 6 . 1 1 75 75 ALA H H 75 7.549 7.549 7.811 -0.262 19034 2751 1 6 . 1 1 76 76 MET N N 76 118.919 118.919 118.339 0.580 19034 2752 1 6 . 1 1 76 76 MET HA H 76 3.490 3.490 3.723 -0.233 19034 2753 1 6 . 1 1 76 76 MET CA C 76 56.956 56.956 59.729 -2.773 19034 2754 1 6 . 1 1 76 76 MET CB C 76 28.966 28.966 32.461 -3.494 19034 2755 1 6 . 1 1 76 76 MET H H 76 8.700 8.700 8.387 0.313 19034 2756 1 6 . 1 1 77 77 GLN N N 77 118.282 118.282 117.210 1.072 19034 2757 1 6 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.148 -0.292 19034 2758 1 6 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.143 -2.443 19034 2759 1 6 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.116 -2.336 19034 2760 1 6 . 1 1 77 77 GLN H H 77 7.798 7.798 7.877 -0.079 19034 2761 1 6 . 1 1 78 78 GLY N N 78 106.137 106.137 108.264 -2.127 19034 2762 1 6 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.617 -2.869 19034 2763 1 6 . 1 1 78 78 GLY H H 78 7.797 7.797 8.159 -0.362 19034 2764 1 6 . 1 1 79 79 LEU N N 79 118.753 118.753 118.652 0.101 19034 2765 1 6 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.451 -0.261 19034 2766 1 6 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.619 -0.356 19034 2767 1 6 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.368 -1.454 19034 2768 1 6 . 1 1 79 79 LEU H H 79 8.039 8.039 7.836 0.203 19034 2769 1 6 . 1 1 80 80 THR N N 80 114.360 114.360 117.384 -3.024 19034 2770 1 6 . 1 1 80 80 THR HA H 80 3.550 3.550 3.911 -0.361 19034 2771 1 6 . 1 1 80 80 THR CA C 80 63.539 63.539 65.181 -1.642 19034 2772 1 6 . 1 1 80 80 THR CB C 80 66.102 66.102 68.387 -2.285 19034 2773 1 6 . 1 1 80 80 THR H H 80 7.177 7.177 7.366 -0.189 19034 2774 1 6 . 1 1 81 81 GLY N N 81 115.554 115.554 115.214 0.340 19034 2775 1 6 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.671 -2.678 19034 2776 1 6 . 1 1 81 81 GLY H H 81 8.680 8.680 8.275 0.405 19034 2777 1 6 . 1 1 82 82 ARG N N 82 120.945 120.945 119.859 1.086 19034 2778 1 6 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.562 -0.469 19034 2779 1 6 . 1 1 82 82 ARG CA C 82 53.446 53.446 54.450 -1.004 19034 2780 1 6 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.697 -3.549 19034 2781 1 6 . 1 1 82 82 ARG H H 82 7.520 7.520 7.715 -0.195 19034 2782 1 6 . 1 1 83 83 LYS N N 83 121.584 121.584 118.891 2.693 19034 2783 1 6 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.164 -0.156 19034 2784 1 6 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.617 -2.895 19034 2785 1 6 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.696 -3.106 19034 2786 1 6 . 1 1 83 83 LYS H H 83 8.165 8.165 8.589 -0.424 19034 2787 1 6 . 1 1 84 84 PHE N N 84 125.104 125.104 123.987 1.117 19034 2788 1 6 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.861 -0.424 19034 2789 1 6 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.289 -1.516 19034 2790 1 6 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.629 0.458 19034 2791 1 6 . 1 1 84 84 PHE H H 84 8.656 8.656 8.579 0.077 19034 2792 1 6 . 1 1 85 85 ALA N N 85 127.849 127.849 119.968 7.881 19034 2793 1 6 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.204 -0.436 19034 2794 1 6 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.622 -1.574 19034 2795 1 6 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.441 -5.320 19034 2796 1 6 . 1 1 85 85 ALA H H 85 8.831 8.831 7.793 1.038 19034 2797 1 6 . 1 1 86 86 ASN N N 86 113.065 113.065 114.931 -1.866 19034 2798 1 6 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.659 -0.300 19034 2799 1 6 . 1 1 86 86 ASN CA C 86 51.409 51.409 54.046 -2.637 19034 2800 1 6 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.319 -3.597 19034 2801 1 6 . 1 1 86 86 ASN H H 86 8.406 8.406 8.538 -0.132 19034 2802 1 6 . 1 1 87 87 ARG N N 87 121.167 121.167 119.177 1.990 19034 2803 1 6 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.588 -0.067 19034 2804 1 6 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.982 -2.196 19034 2805 1 6 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.208 -2.328 19034 2806 1 6 . 1 1 87 87 ARG H H 87 8.250 8.250 8.008 0.242 19034 2807 1 6 . 1 1 88 88 VAL N N 88 121.437 121.437 122.262 -0.825 19034 2808 1 6 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.249 0.025 19034 2809 1 6 . 1 1 88 88 VAL CA C 88 59.281 59.281 61.971 -2.690 19034 2810 1 6 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.365 -2.075 19034 2811 1 6 . 1 1 88 88 VAL H H 88 8.279 8.279 8.440 -0.161 19034 2812 1 6 . 1 1 89 89 VAL N N 89 127.754 127.754 131.369 -3.615 19034 2813 1 6 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.010 0.102 19034 2814 1 6 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.568 -1.437 19034 2815 1 6 . 1 1 89 89 VAL CB C 89 30.108 30.108 31.382 -1.274 19034 2816 1 6 . 1 1 89 89 VAL H H 89 8.601 8.601 8.812 -0.211 19034 2817 1 6 . 1 1 90 90 VAL N N 90 127.874 127.874 129.664 -1.790 19034 2818 1 6 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.027 0.294 19034 2819 1 6 . 1 1 90 90 VAL CA C 90 58.489 58.489 62.222 -3.733 19034 2820 1 6 . 1 1 90 90 VAL CB C 90 32.346 32.346 31.166 1.180 19034 2821 1 6 . 1 1 90 90 VAL H H 90 7.866 7.866 8.271 -0.405 19034 2822 1 6 . 1 1 91 91 THR N N 91 114.187 114.187 119.858 -5.671 19034 2823 1 6 . 1 1 91 91 THR HA H 91 5.528 5.528 4.919 0.609 19034 2824 1 6 . 1 1 91 91 THR CA C 91 56.193 56.193 60.276 -4.083 19034 2825 1 6 . 1 1 91 91 THR CB C 91 69.553 69.553 70.058 -0.505 19034 2826 1 6 . 1 1 91 91 THR H H 91 8.119 8.119 8.322 -0.203 19034 2827 1 6 . 1 1 92 92 LYS N N 92 116.111 116.111 123.428 -7.317 19034 2828 1 6 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.498 -0.152 19034 2829 1 6 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.050 -2.396 19034 2830 1 6 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.316 -3.429 19034 2831 1 6 . 1 1 92 92 LYS H H 92 8.199 8.199 8.460 -0.261 19034 2832 1 6 . 1 1 93 93 TYR N N 93 121.017 121.017 119.223 1.794 19034 2833 1 6 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.529 0.431 19034 2834 1 6 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.466 -3.056 19034 2835 1 6 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.348 -2.808 19034 2836 1 6 . 1 1 93 93 TYR H H 93 8.450 8.450 8.397 0.053 19034 2837 1 6 . 1 1 94 94 CYS N N 94 119.566 119.566 118.071 1.495 19034 2838 1 6 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.883 -0.071 19034 2839 1 6 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.470 -3.469 19034 2840 1 6 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.952 -4.366 19034 2841 1 6 . 1 1 94 94 CYS H H 94 8.614 8.614 8.374 0.240 19034 2842 1 6 . 1 1 95 95 ASP N N 95 128.707 128.707 120.272 8.435 19034 2843 1 6 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.089 -0.252 19034 2844 1 6 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.401 -2.390 19034 2845 1 6 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.882 -3.166 19034 2846 1 6 . 1 1 95 95 ASP H H 95 8.969 8.969 8.787 0.182 19034 2847 1 6 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.151 -2.416 19034 2848 1 6 . 1 1 97 97 ASP N N 97 118.102 118.102 117.178 0.924 19034 2849 1 6 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.427 0.002 19034 2850 1 6 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.185 -2.144 19034 2851 1 6 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.633 -2.874 19034 2852 1 6 . 1 1 97 97 ASP H H 97 8.189 8.189 8.658 -0.469 19034 2853 1 6 . 1 1 98 98 SER N N 98 116.394 116.394 114.576 1.818 19034 2854 1 6 . 1 1 98 98 SER HA H 98 3.961 3.961 4.218 -0.257 19034 2855 1 6 . 1 1 98 98 SER CA C 98 59.519 59.519 60.859 -1.340 19034 2856 1 6 . 1 1 98 98 SER H H 98 7.792 7.792 7.662 0.130 19034 2857 1 6 . 1 1 99 99 TYR N N 99 121.890 121.890 123.272 -1.382 19034 2858 1 6 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.229 -0.487 19034 2859 1 6 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.099 -2.303 19034 2860 1 6 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.812 -2.638 19034 2861 1 6 . 1 1 99 99 TYR H H 99 7.625 7.625 7.262 0.363 19034 2862 1 6 . 1 1 100 100 HIS N N 100 118.065 118.065 115.070 2.995 19034 2863 1 6 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.413 -0.283 19034 2864 1 6 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.462 -1.854 19034 2865 1 6 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.064 -4.270 19034 2866 1 6 . 1 1 100 100 HIS H H 100 8.425 8.425 8.142 0.283 19034 2867 1 6 . 1 1 101 101 ARG N N 101 116.756 116.756 117.871 -1.115 19034 2868 1 6 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.571 -0.470 19034 2869 1 6 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.242 -0.601 19034 2870 1 6 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.039 -3.930 19034 2871 1 6 . 1 1 101 101 ARG H H 101 7.406 7.406 7.431 -0.025 19034 2872 1 6 . 1 1 102 102 ARG N N 102 115.254 115.254 118.303 -3.049 19034 2873 1 6 . 1 1 102 102 ARG HA H 102 2.300 2.300 2.905 -0.605 19034 2874 1 6 . 1 1 102 102 ARG CA C 102 53.586 53.586 53.523 0.063 19034 2875 1 6 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.203 -4.119 19034 2876 1 6 . 1 1 102 102 ARG H H 102 7.297 7.297 8.341 -1.044 19034 2877 1 6 . 1 1 103 103 ASP N N 103 119.588 119.588 121.707 -2.119 19034 2878 1 6 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.479 -0.133 19034 2879 1 6 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.902 -4.321 19034 2880 1 6 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.704 -1.955 19034 2881 1 6 . 1 1 103 103 ASP H H 103 7.467 7.467 7.327 0.140 19034 2882 1 6 . 1 1 104 104 PHE N N 104 120.438 120.438 120.590 -0.152 19034 2883 1 6 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.561 -0.221 19034 2884 1 6 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.410 -3.709 19034 2885 1 6 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.317 -2.475 19034 2886 1 6 . 1 1 104 104 PHE H H 104 7.138 7.138 7.822 -0.684 19034 2887 1 7 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.943 -2.486 19034 2888 1 7 . 1 1 3 3 HIS N N 3 118.891 118.891 120.318 -1.427 19034 2889 1 7 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.615 0.218 19034 2890 1 7 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.822 -4.304 19034 2891 1 7 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.430 -3.018 19034 2892 1 7 . 1 1 3 3 HIS H H 3 8.079 8.079 8.385 -0.306 19034 2893 1 7 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.304 -1.288 19034 2894 1 7 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.502 -2.534 19034 2895 1 7 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.099 -2.160 19034 2896 1 7 . 1 1 5 5 THR N N 5 113.236 113.236 112.643 0.593 19034 2897 1 7 . 1 1 5 5 THR HA H 5 4.430 4.430 4.549 -0.119 19034 2898 1 7 . 1 1 5 5 THR CA C 5 56.748 56.748 59.456 -2.708 19034 2899 1 7 . 1 1 5 5 THR CB C 5 69.859 69.859 71.475 -1.616 19034 2900 1 7 . 1 1 5 5 THR H H 5 6.242 6.242 7.608 -1.366 19034 2901 1 7 . 1 1 6 6 GLU N N 6 114.417 114.417 120.471 -6.054 19034 2902 1 7 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.444 -0.269 19034 2903 1 7 . 1 1 6 6 GLU CA C 6 55.424 55.424 56.513 -1.089 19034 2904 1 7 . 1 1 6 6 GLU CB C 6 26.129 26.129 28.723 -2.594 19034 2905 1 7 . 1 1 6 6 GLU H H 6 10.185 10.185 8.929 1.256 19034 2906 1 7 . 1 1 7 7 VAL N N 7 119.290 119.290 115.308 3.982 19034 2907 1 7 . 1 1 7 7 VAL HA H 7 5.038 5.038 5.076 -0.038 19034 2908 1 7 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.316 -1.040 19034 2909 1 7 . 1 1 7 7 VAL CB C 7 30.522 30.522 35.113 -4.591 19034 2910 1 7 . 1 1 7 7 VAL H H 7 8.270 8.270 7.307 0.963 19034 2911 1 7 . 1 1 8 8 LEU N N 8 130.138 130.138 124.830 5.308 19034 2912 1 7 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.149 -0.508 19034 2913 1 7 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.539 -3.752 19034 2914 1 7 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.816 -2.931 19034 2915 1 7 . 1 1 8 8 LEU H H 8 9.316 9.316 8.861 0.455 19034 2916 1 7 . 1 1 9 9 CYS N N 9 123.769 123.769 121.400 2.369 19034 2917 1 7 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.455 -0.416 19034 2918 1 7 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.756 -3.508 19034 2919 1 7 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.473 -4.245 19034 2920 1 7 . 1 1 9 9 CYS H H 9 8.902 8.902 9.044 -0.142 19034 2921 1 7 . 1 1 10 10 LEU N N 10 127.313 127.313 128.367 -1.054 19034 2922 1 7 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.436 -0.852 19034 2923 1 7 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.217 -1.849 19034 2924 1 7 . 1 1 10 10 LEU CB C 10 40.709 40.709 44.270 -3.561 19034 2925 1 7 . 1 1 10 10 LEU H H 10 9.203 9.203 9.113 0.090 19034 2926 1 7 . 1 1 11 11 MET N N 11 124.158 124.158 120.436 3.722 19034 2927 1 7 . 1 1 11 11 MET HA H 11 4.481 4.481 4.859 -0.378 19034 2928 1 7 . 1 1 11 11 MET CA C 11 52.655 52.655 53.852 -1.198 19034 2929 1 7 . 1 1 11 11 MET CB C 11 33.156 33.156 35.876 -2.720 19034 2930 1 7 . 1 1 11 11 MET H H 11 9.161 9.161 8.599 0.562 19034 2931 1 7 . 1 1 12 12 ASN N N 12 114.067 114.067 114.509 -0.442 19034 2932 1 7 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.292 -0.011 19034 2933 1 7 . 1 1 12 12 ASN CA C 12 51.685 51.685 55.346 -3.661 19034 2934 1 7 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.701 -1.387 19034 2935 1 7 . 1 1 12 12 ASN H H 12 8.842 8.842 9.161 -0.319 19034 2936 1 7 . 1 1 13 13 MET N N 13 118.202 118.202 117.682 0.520 19034 2937 1 7 . 1 1 13 13 MET HA H 13 3.952 3.952 4.262 -0.310 19034 2938 1 7 . 1 1 13 13 MET CA C 13 55.132 55.132 57.771 -2.639 19034 2939 1 7 . 1 1 13 13 MET CB C 13 31.944 31.944 33.684 -1.740 19034 2940 1 7 . 1 1 13 13 MET H H 13 8.519 8.519 8.176 0.343 19034 2941 1 7 . 1 1 14 14 VAL N N 14 110.436 110.436 111.059 -0.623 19034 2942 1 7 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.410 0.042 19034 2943 1 7 . 1 1 14 14 VAL CA C 14 55.821 55.821 59.883 -4.062 19034 2944 1 7 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.947 -2.193 19034 2945 1 7 . 1 1 14 14 VAL H H 14 6.949 6.949 7.589 -0.640 19034 2946 1 7 . 1 1 15 15 LEU N N 15 123.248 123.248 118.473 4.775 19034 2947 1 7 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.904 -0.125 19034 2948 1 7 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.618 -2.737 19034 2949 1 7 . 1 1 15 15 LEU CB C 15 39.500 39.500 43.087 -3.587 19034 2950 1 7 . 1 1 15 15 LEU H H 15 8.346 8.346 8.359 -0.013 19034 2951 1 7 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.432 -0.549 19034 2952 1 7 . 1 1 16 16 PRO CA C 16 56.106 56.106 63.963 -7.857 19034 2953 1 7 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.963 -2.450 19034 2954 1 7 . 1 1 17 17 GLU N N 17 119.496 119.496 115.008 4.488 19034 2955 1 7 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.471 -0.360 19034 2956 1 7 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.031 -1.536 19034 2957 1 7 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.657 -2.769 19034 2958 1 7 . 1 1 17 17 GLU H H 17 7.754 7.754 8.015 -0.261 19034 2959 1 7 . 1 1 18 18 GLU N N 18 112.697 112.697 119.280 -6.583 19034 2960 1 7 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.613 -0.635 19034 2961 1 7 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.073 0.212 19034 2962 1 7 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.702 -4.626 19034 2963 1 7 . 1 1 18 18 GLU H H 18 8.975 8.975 7.970 1.005 19034 2964 1 7 . 1 1 19 19 LEU N N 19 113.096 113.096 121.289 -8.193 19034 2965 1 7 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.670 -0.251 19034 2966 1 7 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.305 -3.356 19034 2967 1 7 . 1 1 19 19 LEU CB C 19 40.343 40.343 41.983 -1.640 19034 2968 1 7 . 1 1 19 19 LEU H H 19 7.266 7.266 8.058 -0.792 19034 2969 1 7 . 1 1 20 20 LEU N N 20 119.130 119.130 119.475 -0.345 19034 2970 1 7 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.324 -0.286 19034 2971 1 7 . 1 1 20 20 LEU CA C 20 54.002 54.002 55.415 -1.413 19034 2972 1 7 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.755 -1.489 19034 2973 1 7 . 1 1 20 20 LEU H H 20 7.102 7.102 7.742 -0.639 19034 2974 1 7 . 1 1 21 21 ASP N N 21 120.713 120.713 120.406 0.307 19034 2975 1 7 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.485 0.122 19034 2976 1 7 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.479 -3.673 19034 2977 1 7 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.718 -0.151 19034 2978 1 7 . 1 1 21 21 ASP H H 21 8.071 8.071 8.258 -0.187 19034 2979 1 7 . 1 1 22 22 ASP N N 22 126.353 126.353 125.960 0.393 19034 2980 1 7 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.179 0.063 19034 2981 1 7 . 1 1 22 22 ASP CA C 22 55.650 55.650 57.602 -1.952 19034 2982 1 7 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.890 -2.807 19034 2983 1 7 . 1 1 22 22 ASP H H 22 8.835 8.835 8.705 0.130 19034 2984 1 7 . 1 1 23 23 GLU N N 23 119.623 119.623 119.668 -0.045 19034 2985 1 7 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.091 -0.025 19034 2986 1 7 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.510 -2.670 19034 2987 1 7 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.503 -3.091 19034 2988 1 7 . 1 1 23 23 GLU H H 23 8.177 8.177 8.482 -0.305 19034 2989 1 7 . 1 1 24 24 GLU N N 24 121.959 121.959 119.751 2.208 19034 2990 1 7 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.363 -0.367 19034 2991 1 7 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.033 -2.672 19034 2992 1 7 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.417 -2.960 19034 2993 1 7 . 1 1 24 24 GLU H H 24 8.218 8.218 8.410 -0.192 19034 2994 1 7 . 1 1 25 25 TYR N N 25 119.522 119.522 119.808 -0.286 19034 2995 1 7 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.068 -0.117 19034 2996 1 7 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.934 -2.287 19034 2997 1 7 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.479 -2.474 19034 2998 1 7 . 1 1 25 25 TYR H H 25 8.694 8.694 8.006 0.688 19034 2999 1 7 . 1 1 26 26 GLU N N 26 116.410 116.410 118.027 -1.617 19034 3000 1 7 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.091 -0.389 19034 3001 1 7 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.961 -2.632 19034 3002 1 7 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.657 -3.479 19034 3003 1 7 . 1 1 26 26 GLU H H 26 7.852 7.852 7.811 0.041 19034 3004 1 7 . 1 1 27 27 GLU N N 27 118.895 118.895 120.480 -1.585 19034 3005 1 7 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.026 -0.105 19034 3006 1 7 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.311 -2.866 19034 3007 1 7 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.730 -3.490 19034 3008 1 7 . 1 1 27 27 GLU H H 27 7.555 7.555 7.657 -0.102 19034 3009 1 7 . 1 1 28 28 ILE N N 28 121.720 121.720 120.088 1.632 19034 3010 1 7 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.649 -0.007 19034 3011 1 7 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.332 -2.977 19034 3012 1 7 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.722 -2.656 19034 3013 1 7 . 1 1 28 28 ILE H H 28 7.918 7.918 8.311 -0.393 19034 3014 1 7 . 1 1 29 29 VAL N N 29 119.336 119.336 118.253 1.083 19034 3015 1 7 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.481 -0.446 19034 3016 1 7 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.429 -1.822 19034 3017 1 7 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.769 -1.705 19034 3018 1 7 . 1 1 29 29 VAL H H 29 7.832 7.832 7.652 0.180 19034 3019 1 7 . 1 1 30 30 GLU N N 30 116.291 116.291 119.327 -3.036 19034 3020 1 7 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.104 -0.227 19034 3021 1 7 . 1 1 30 30 GLU CA C 30 56.061 56.061 58.881 -2.820 19034 3022 1 7 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.114 -3.003 19034 3023 1 7 . 1 1 30 30 GLU H H 30 7.405 7.405 7.609 -0.204 19034 3024 1 7 . 1 1 31 31 ASP N N 31 120.811 120.811 120.795 0.016 19034 3025 1 7 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.365 0.009 19034 3026 1 7 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.338 -2.806 19034 3027 1 7 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.776 -3.491 19034 3028 1 7 . 1 1 31 31 ASP H H 31 8.471 8.471 8.138 0.333 19034 3029 1 7 . 1 1 32 32 VAL N N 32 121.006 121.006 119.605 1.401 19034 3030 1 7 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.425 -0.014 19034 3031 1 7 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.704 -1.489 19034 3032 1 7 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.368 -2.823 19034 3033 1 7 . 1 1 32 32 VAL H H 32 8.655 8.655 7.719 0.936 19034 3034 1 7 . 1 1 33 33 ARG N N 33 122.143 122.143 120.090 2.053 19034 3035 1 7 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.956 -0.463 19034 3036 1 7 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.506 -1.075 19034 3037 1 7 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.971 -2.739 19034 3038 1 7 . 1 1 33 33 ARG H H 33 8.507 8.507 7.787 0.720 19034 3039 1 7 . 1 1 34 34 ASP N N 34 120.971 120.971 118.009 2.962 19034 3040 1 7 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.431 -0.175 19034 3041 1 7 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.101 -2.001 19034 3042 1 7 . 1 1 34 34 ASP CB C 34 38.076 38.076 41.099 -3.023 19034 3043 1 7 . 1 1 34 34 ASP H H 34 8.633 8.633 7.653 0.980 19034 3044 1 7 . 1 1 35 35 GLU N N 35 119.918 119.918 120.023 -0.105 19034 3045 1 7 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.053 0.011 19034 3046 1 7 . 1 1 35 35 GLU CA C 35 56.431 56.431 59.091 -2.660 19034 3047 1 7 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.379 -2.519 19034 3048 1 7 . 1 1 35 35 GLU H H 35 8.184 8.184 7.870 0.314 19034 3049 1 7 . 1 1 36 36 CYS N N 36 114.288 114.288 118.116 -3.828 19034 3050 1 7 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.698 -0.324 19034 3051 1 7 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.359 1.184 19034 3052 1 7 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.664 -2.754 19034 3053 1 7 . 1 1 36 36 CYS H H 36 8.584 8.584 8.129 0.455 19034 3054 1 7 . 1 1 37 37 SER N N 37 114.987 114.987 116.854 -1.867 19034 3055 1 7 . 1 1 37 37 SER HA H 37 5.135 5.135 4.607 0.528 19034 3056 1 7 . 1 1 37 37 SER CA C 37 58.124 58.124 60.720 -2.596 19034 3057 1 7 . 1 1 37 37 SER CB C 37 60.481 60.481 62.833 -2.352 19034 3058 1 7 . 1 1 37 37 SER H H 37 8.164 8.164 7.920 0.244 19034 3059 1 7 . 1 1 38 38 LYS N N 38 119.574 119.574 119.532 0.042 19034 3060 1 7 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.983 -0.179 19034 3061 1 7 . 1 1 38 38 LYS CA C 38 55.490 55.490 57.977 -2.487 19034 3062 1 7 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.019 -2.648 19034 3063 1 7 . 1 1 38 38 LYS H H 38 7.111 7.111 7.611 -0.500 19034 3064 1 7 . 1 1 39 39 TYR N N 39 116.372 116.372 115.456 0.916 19034 3065 1 7 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.576 -0.272 19034 3066 1 7 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.550 -1.626 19034 3067 1 7 . 1 1 39 39 TYR CB C 39 37.122 37.122 40.148 -3.026 19034 3068 1 7 . 1 1 39 39 TYR H H 39 7.576 7.576 7.821 -0.245 19034 3069 1 7 . 1 1 40 40 GLY N N 40 103.718 103.718 104.643 -0.925 19034 3070 1 7 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.136 -2.950 19034 3071 1 7 . 1 1 40 40 GLY H H 40 7.380 7.380 7.371 0.009 19034 3072 1 7 . 1 1 41 41 LEU N N 41 118.877 118.877 123.169 -4.292 19034 3073 1 7 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.847 -0.515 19034 3074 1 7 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.590 -0.520 19034 3075 1 7 . 1 1 41 41 LEU CB C 41 39.959 39.959 42.379 -2.420 19034 3076 1 7 . 1 1 41 41 LEU H H 41 8.260 8.260 8.704 -0.444 19034 3077 1 7 . 1 1 42 42 VAL N N 42 127.032 127.032 127.467 -0.435 19034 3078 1 7 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.899 -0.392 19034 3079 1 7 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.646 -3.698 19034 3080 1 7 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.634 -1.632 19034 3081 1 7 . 1 1 42 42 VAL H H 42 8.598 8.598 8.723 -0.125 19034 3082 1 7 . 1 1 43 43 LYS N N 43 130.977 130.977 129.062 1.915 19034 3083 1 7 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.158 -0.032 19034 3084 1 7 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.495 -3.473 19034 3085 1 7 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.331 -1.238 19034 3086 1 7 . 1 1 43 43 LYS H H 43 9.307 9.307 8.942 0.365 19034 3087 1 7 . 1 1 44 44 SER N N 44 110.453 110.453 108.608 1.845 19034 3088 1 7 . 1 1 44 44 SER HA H 44 4.492 4.492 4.656 -0.164 19034 3089 1 7 . 1 1 44 44 SER CA C 44 55.890 55.890 57.457 -1.567 19034 3090 1 7 . 1 1 44 44 SER CB C 44 62.940 62.940 65.282 -2.342 19034 3091 1 7 . 1 1 44 44 SER H H 44 7.938 7.938 7.496 0.442 19034 3092 1 7 . 1 1 45 45 ILE N N 45 118.542 118.542 119.599 -1.057 19034 3093 1 7 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.818 0.232 19034 3094 1 7 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.690 -3.159 19034 3095 1 7 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.580 -1.260 19034 3096 1 7 . 1 1 45 45 ILE H H 45 8.136 8.136 8.209 -0.073 19034 3097 1 7 . 1 1 46 46 GLU N N 46 125.456 125.456 125.823 -0.367 19034 3098 1 7 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.693 0.007 19034 3099 1 7 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.941 -2.474 19034 3100 1 7 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.328 -1.565 19034 3101 1 7 . 1 1 46 46 GLU H H 46 9.364 9.364 9.098 0.266 19034 3102 1 7 . 1 1 47 47 ILE N N 47 122.471 122.471 127.291 -4.820 19034 3103 1 7 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.614 0.091 19034 3104 1 7 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.248 -1.913 19034 3105 1 7 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.697 -1.909 19034 3106 1 7 . 1 1 47 47 ILE H H 47 8.672 8.672 8.560 0.112 19034 3107 1 7 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.780 -1.904 19034 3108 1 7 . 1 1 49 49 ARG N N 49 120.907 120.907 126.034 -5.127 19034 3109 1 7 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.548 0.159 19034 3110 1 7 . 1 1 49 49 ARG CB C 49 29.928 29.928 28.352 1.576 19034 3111 1 7 . 1 1 49 49 ARG H H 49 7.944 7.944 8.249 -0.305 19034 3112 1 7 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.320 0.072 19034 3113 1 7 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.618 -1.990 19034 3114 1 7 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.601 -2.975 19034 3115 1 7 . 1 1 51 51 VAL N N 51 121.425 121.425 120.908 0.517 19034 3116 1 7 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.226 -0.239 19034 3117 1 7 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.231 -2.374 19034 3118 1 7 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.085 -0.847 19034 3119 1 7 . 1 1 51 51 VAL H H 51 7.992 7.992 8.379 -0.387 19034 3120 1 7 . 1 1 52 52 ASP N N 52 127.160 127.160 129.243 -2.083 19034 3121 1 7 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.305 -0.068 19034 3122 1 7 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.625 -1.337 19034 3123 1 7 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.406 -2.456 19034 3124 1 7 . 1 1 52 52 ASP H H 52 8.746 8.746 8.959 -0.213 19034 3125 1 7 . 1 1 53 53 GLY N N 53 108.483 108.483 103.327 5.156 19034 3126 1 7 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.214 -2.240 19034 3127 1 7 . 1 1 53 53 GLY H H 53 8.589 8.589 8.102 0.487 19034 3128 1 7 . 1 1 54 54 VAL N N 54 120.874 120.874 122.301 -1.427 19034 3129 1 7 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.175 -0.016 19034 3130 1 7 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.407 -2.918 19034 3131 1 7 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.923 -0.890 19034 3132 1 7 . 1 1 54 54 VAL H H 54 7.804 7.804 7.682 0.122 19034 3133 1 7 . 1 1 55 55 GLU N N 55 126.140 126.140 125.426 0.714 19034 3134 1 7 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.196 -0.023 19034 3135 1 7 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.696 -3.000 19034 3136 1 7 . 1 1 55 55 GLU CB C 55 26.760 26.760 29.968 -3.208 19034 3137 1 7 . 1 1 55 55 GLU H H 55 8.578 8.578 8.593 -0.015 19034 3138 1 7 . 1 1 56 56 VAL N N 56 124.648 124.648 116.245 8.403 19034 3139 1 7 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.570 -0.215 19034 3140 1 7 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.840 -0.770 19034 3141 1 7 . 1 1 56 56 VAL CB C 56 29.806 29.806 34.195 -4.389 19034 3142 1 7 . 1 1 56 56 VAL H H 56 7.661 7.661 7.858 -0.197 19034 3143 1 7 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.145 -0.028 19034 3144 1 7 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.638 -2.397 19034 3145 1 7 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.154 -1.909 19034 3146 1 7 . 1 1 58 58 GLY N N 58 109.755 109.755 111.673 -1.918 19034 3147 1 7 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.110 -2.263 19034 3148 1 7 . 1 1 58 58 GLY H H 58 8.577 8.577 8.274 0.303 19034 3149 1 7 . 1 1 59 59 CYS N N 59 118.400 118.400 120.090 -1.690 19034 3150 1 7 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.273 -0.218 19034 3151 1 7 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.939 -1.615 19034 3152 1 7 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.438 -4.260 19034 3153 1 7 . 1 1 59 59 CYS H H 59 7.631 7.631 7.438 0.193 19034 3154 1 7 . 1 1 60 60 GLY N N 60 119.002 119.002 112.612 6.390 19034 3155 1 7 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.620 -3.481 19034 3156 1 7 . 1 1 60 60 GLY H H 60 10.447 10.447 8.829 1.618 19034 3157 1 7 . 1 1 61 61 LYS N N 61 122.250 122.250 118.635 3.615 19034 3158 1 7 . 1 1 61 61 LYS HA H 61 4.331 4.331 5.112 -0.781 19034 3159 1 7 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.369 -1.425 19034 3160 1 7 . 1 1 61 61 LYS CB C 61 33.173 33.173 35.529 -2.356 19034 3161 1 7 . 1 1 61 61 LYS H H 61 8.233 8.233 7.229 1.004 19034 3162 1 7 . 1 1 62 62 ILE N N 62 118.312 118.312 118.538 -0.226 19034 3163 1 7 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.445 -0.149 19034 3164 1 7 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.418 -2.032 19034 3165 1 7 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.642 -2.639 19034 3166 1 7 . 1 1 62 62 ILE H H 62 7.272 7.272 7.749 -0.477 19034 3167 1 7 . 1 1 63 63 PHE N N 63 125.445 125.445 123.241 2.204 19034 3168 1 7 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.686 -0.386 19034 3169 1 7 . 1 1 63 63 PHE CA C 63 53.494 53.494 55.726 -2.232 19034 3170 1 7 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.206 -2.415 19034 3171 1 7 . 1 1 63 63 PHE H H 63 8.876 8.876 8.516 0.360 19034 3172 1 7 . 1 1 64 64 VAL N N 64 122.504 122.504 118.773 3.731 19034 3173 1 7 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.761 -0.441 19034 3174 1 7 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.886 -1.359 19034 3175 1 7 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.169 -3.598 19034 3176 1 7 . 1 1 64 64 VAL H H 64 9.161 9.161 8.805 0.356 19034 3177 1 7 . 1 1 65 65 GLU N N 65 127.687 127.687 124.803 2.884 19034 3178 1 7 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.792 -0.115 19034 3179 1 7 . 1 1 65 65 GLU CA C 65 51.445 51.445 53.903 -2.458 19034 3180 1 7 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.212 -4.652 19034 3181 1 7 . 1 1 65 65 GLU H H 65 8.601 8.601 8.319 0.282 19034 3182 1 7 . 1 1 66 66 PHE N N 66 126.672 126.672 121.664 5.008 19034 3183 1 7 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.709 -0.616 19034 3184 1 7 . 1 1 66 66 PHE CA C 66 55.185 55.185 55.717 -0.531 19034 3185 1 7 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.545 -3.404 19034 3186 1 7 . 1 1 66 66 PHE H H 66 9.352 9.352 8.909 0.443 19034 3187 1 7 . 1 1 67 67 THR N N 67 109.616 109.616 110.743 -1.127 19034 3188 1 7 . 1 1 67 67 THR HA H 67 4.248 4.248 4.374 -0.126 19034 3189 1 7 . 1 1 67 67 THR CA C 67 60.963 60.963 62.726 -1.763 19034 3190 1 7 . 1 1 67 67 THR CB C 67 66.974 66.974 69.062 -2.088 19034 3191 1 7 . 1 1 67 67 THR H H 67 9.072 9.072 8.747 0.325 19034 3192 1 7 . 1 1 68 68 SER N N 68 111.776 111.776 114.592 -2.816 19034 3193 1 7 . 1 1 68 68 SER HA H 68 4.922 4.922 4.961 -0.039 19034 3194 1 7 . 1 1 68 68 SER CA C 68 53.411 53.411 56.958 -3.547 19034 3195 1 7 . 1 1 68 68 SER CB C 68 63.507 63.507 66.502 -2.995 19034 3196 1 7 . 1 1 68 68 SER H H 68 7.511 7.511 7.461 0.050 19034 3197 1 7 . 1 1 69 69 VAL N N 69 123.476 123.476 122.811 0.665 19034 3198 1 7 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.911 -0.506 19034 3199 1 7 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.572 -2.984 19034 3200 1 7 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.558 -2.680 19034 3201 1 7 . 1 1 69 69 VAL H H 69 8.854 8.854 9.046 -0.192 19034 3202 1 7 . 1 1 70 70 PHE N N 70 119.530 119.530 118.427 1.103 19034 3203 1 7 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.125 0.104 19034 3204 1 7 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.509 -4.607 19034 3205 1 7 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.532 -2.269 19034 3206 1 7 . 1 1 70 70 PHE H H 70 7.673 7.673 8.313 -0.640 19034 3207 1 7 . 1 1 71 71 ASP N N 71 120.024 120.024 119.468 0.556 19034 3208 1 7 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.422 -0.246 19034 3209 1 7 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.042 -2.736 19034 3210 1 7 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.171 -2.304 19034 3211 1 7 . 1 1 71 71 ASP H H 71 7.585 7.585 7.870 -0.285 19034 3212 1 7 . 1 1 72 72 CYS N N 72 119.689 119.689 120.271 -0.582 19034 3213 1 7 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.221 -0.425 19034 3214 1 7 . 1 1 72 72 CYS CA C 72 57.147 57.147 63.124 -5.977 19034 3215 1 7 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.688 -2.339 19034 3216 1 7 . 1 1 72 72 CYS H H 72 7.087 7.087 8.114 -1.027 19034 3217 1 7 . 1 1 73 73 GLN N N 73 117.350 117.350 118.592 -1.242 19034 3218 1 7 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.014 0.392 19034 3219 1 7 . 1 1 73 73 GLN CA C 73 56.361 56.361 59.019 -2.658 19034 3220 1 7 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.644 -1.761 19034 3221 1 7 . 1 1 73 73 GLN H H 73 8.478 8.478 8.232 0.246 19034 3222 1 7 . 1 1 74 74 LYS N N 74 119.692 119.692 119.405 0.287 19034 3223 1 7 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.062 -0.288 19034 3224 1 7 . 1 1 74 74 LYS CA C 74 56.827 56.827 59.030 -2.203 19034 3225 1 7 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.371 -2.869 19034 3226 1 7 . 1 1 74 74 LYS H H 74 7.468 7.468 7.677 -0.209 19034 3227 1 7 . 1 1 75 75 ALA N N 75 124.287 124.287 122.765 1.522 19034 3228 1 7 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.427 -0.832 19034 3229 1 7 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.917 -3.221 19034 3230 1 7 . 1 1 75 75 ALA CB C 75 17.091 17.091 17.976 -0.885 19034 3231 1 7 . 1 1 75 75 ALA H H 75 7.549 7.549 8.143 -0.594 19034 3232 1 7 . 1 1 76 76 MET N N 76 118.919 118.919 118.816 0.103 19034 3233 1 7 . 1 1 76 76 MET HA H 76 3.490 3.490 3.719 -0.229 19034 3234 1 7 . 1 1 76 76 MET CA C 76 56.956 56.956 59.239 -2.283 19034 3235 1 7 . 1 1 76 76 MET CB C 76 28.966 28.966 32.465 -3.499 19034 3236 1 7 . 1 1 76 76 MET H H 76 8.700 8.700 8.271 0.429 19034 3237 1 7 . 1 1 77 77 GLN N N 77 118.282 118.282 116.668 1.614 19034 3238 1 7 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.057 -0.201 19034 3239 1 7 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.968 -2.268 19034 3240 1 7 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.630 -2.849 19034 3241 1 7 . 1 1 77 77 GLN H H 77 7.798 7.798 7.798 0.000 19034 3242 1 7 . 1 1 78 78 GLY N N 78 106.137 106.137 106.194 -0.057 19034 3243 1 7 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.516 -2.768 19034 3244 1 7 . 1 1 78 78 GLY H H 78 7.797 7.797 7.957 -0.160 19034 3245 1 7 . 1 1 79 79 LEU N N 79 118.753 118.753 117.171 1.582 19034 3246 1 7 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.478 -0.288 19034 3247 1 7 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.370 -0.107 19034 3248 1 7 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.805 -1.891 19034 3249 1 7 . 1 1 79 79 LEU H H 79 8.039 8.039 7.218 0.821 19034 3250 1 7 . 1 1 80 80 THR N N 80 114.360 114.360 117.326 -2.966 19034 3251 1 7 . 1 1 80 80 THR HA H 80 3.550 3.550 3.864 -0.314 19034 3252 1 7 . 1 1 80 80 THR CA C 80 63.539 63.539 65.281 -1.742 19034 3253 1 7 . 1 1 80 80 THR CB C 80 66.102 66.102 68.601 -2.499 19034 3254 1 7 . 1 1 80 80 THR H H 80 7.177 7.177 7.657 -0.480 19034 3255 1 7 . 1 1 81 81 GLY N N 81 115.554 115.554 115.485 0.069 19034 3256 1 7 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.711 -1.718 19034 3257 1 7 . 1 1 81 81 GLY H H 81 8.680 8.680 8.727 -0.047 19034 3258 1 7 . 1 1 82 82 ARG N N 82 120.945 120.945 122.066 -1.121 19034 3259 1 7 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.324 -0.231 19034 3260 1 7 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.657 -3.211 19034 3261 1 7 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.372 -3.224 19034 3262 1 7 . 1 1 82 82 ARG H H 82 7.520 7.520 7.915 -0.395 19034 3263 1 7 . 1 1 83 83 LYS N N 83 121.584 121.584 118.311 3.273 19034 3264 1 7 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.231 -0.223 19034 3265 1 7 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.378 -2.656 19034 3266 1 7 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.306 -2.716 19034 3267 1 7 . 1 1 83 83 LYS H H 83 8.165 8.165 8.466 -0.301 19034 3268 1 7 . 1 1 84 84 PHE N N 84 125.104 125.104 122.241 2.863 19034 3269 1 7 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.672 -0.235 19034 3270 1 7 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.989 -2.216 19034 3271 1 7 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.592 -0.505 19034 3272 1 7 . 1 1 84 84 PHE H H 84 8.656 8.656 9.178 -0.522 19034 3273 1 7 . 1 1 85 85 ALA N N 85 127.849 127.849 122.491 5.358 19034 3274 1 7 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.211 -0.443 19034 3275 1 7 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.974 -1.926 19034 3276 1 7 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.458 -5.337 19034 3277 1 7 . 1 1 85 85 ALA H H 85 8.831 8.831 7.879 0.952 19034 3278 1 7 . 1 1 86 86 ASN N N 86 113.065 113.065 116.871 -3.806 19034 3279 1 7 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.771 -0.412 19034 3280 1 7 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.373 -1.964 19034 3281 1 7 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.916 -4.194 19034 3282 1 7 . 1 1 86 86 ASN H H 86 8.406 8.406 8.757 -0.351 19034 3283 1 7 . 1 1 87 87 ARG N N 87 121.167 121.167 120.554 0.613 19034 3284 1 7 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.635 -0.114 19034 3285 1 7 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.471 -1.685 19034 3286 1 7 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.875 -2.995 19034 3287 1 7 . 1 1 87 87 ARG H H 87 8.250 8.250 7.874 0.376 19034 3288 1 7 . 1 1 88 88 VAL N N 88 121.437 121.437 122.262 -0.825 19034 3289 1 7 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.164 0.110 19034 3290 1 7 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.589 -3.308 19034 3291 1 7 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.500 -1.210 19034 3292 1 7 . 1 1 88 88 VAL H H 88 8.279 8.279 8.433 -0.154 19034 3293 1 7 . 1 1 89 89 VAL N N 89 127.754 127.754 128.314 -0.560 19034 3294 1 7 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.096 0.016 19034 3295 1 7 . 1 1 89 89 VAL CA C 89 61.131 61.131 63.213 -2.082 19034 3296 1 7 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.533 -2.425 19034 3297 1 7 . 1 1 89 89 VAL H H 89 8.601 8.601 8.700 -0.099 19034 3298 1 7 . 1 1 90 90 VAL N N 90 127.874 127.874 124.831 3.043 19034 3299 1 7 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.373 -0.052 19034 3300 1 7 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.438 -1.950 19034 3301 1 7 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.994 -2.648 19034 3302 1 7 . 1 1 90 90 VAL H H 90 7.866 7.866 7.939 -0.073 19034 3303 1 7 . 1 1 91 91 THR N N 91 114.187 114.187 116.192 -2.005 19034 3304 1 7 . 1 1 91 91 THR HA H 91 5.528 5.528 5.189 0.339 19034 3305 1 7 . 1 1 91 91 THR CA C 91 56.193 56.193 59.809 -3.616 19034 3306 1 7 . 1 1 91 91 THR CB C 91 69.553 69.553 71.047 -1.494 19034 3307 1 7 . 1 1 91 91 THR H H 91 8.119 8.119 8.148 -0.029 19034 3308 1 7 . 1 1 92 92 LYS N N 92 116.111 116.111 121.069 -4.958 19034 3309 1 7 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.628 -0.282 19034 3310 1 7 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.252 -1.599 19034 3311 1 7 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.781 -2.893 19034 3312 1 7 . 1 1 92 92 LYS H H 92 8.199 8.199 8.728 -0.529 19034 3313 1 7 . 1 1 93 93 TYR N N 93 121.017 121.017 119.795 1.222 19034 3314 1 7 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.619 0.341 19034 3315 1 7 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.888 -3.478 19034 3316 1 7 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.285 -2.745 19034 3317 1 7 . 1 1 93 93 TYR H H 93 8.450 8.450 8.609 -0.159 19034 3318 1 7 . 1 1 94 94 CYS N N 94 119.566 119.566 118.583 0.983 19034 3319 1 7 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.861 -0.049 19034 3320 1 7 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.316 -3.315 19034 3321 1 7 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.399 -2.813 19034 3322 1 7 . 1 1 94 94 CYS H H 94 8.614 8.614 8.775 -0.161 19034 3323 1 7 . 1 1 95 95 ASP N N 95 128.707 128.707 121.175 7.532 19034 3324 1 7 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.954 -0.117 19034 3325 1 7 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.462 -2.453 19034 3326 1 7 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.028 -2.312 19034 3327 1 7 . 1 1 95 95 ASP H H 95 8.969 8.969 8.502 0.467 19034 3328 1 7 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.505 -2.770 19034 3329 1 7 . 1 1 97 97 ASP N N 97 118.102 118.102 119.483 -1.381 19034 3330 1 7 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.567 -0.138 19034 3331 1 7 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.404 -2.363 19034 3332 1 7 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.434 -2.675 19034 3333 1 7 . 1 1 97 97 ASP H H 97 8.189 8.189 8.568 -0.379 19034 3334 1 7 . 1 1 98 98 SER N N 98 116.394 116.394 112.649 3.745 19034 3335 1 7 . 1 1 98 98 SER HA H 98 3.961 3.961 4.267 -0.306 19034 3336 1 7 . 1 1 98 98 SER CA C 98 59.519 59.519 60.219 -0.700 19034 3337 1 7 . 1 1 98 98 SER H H 98 7.792 7.792 8.537 -0.745 19034 3338 1 7 . 1 1 99 99 TYR N N 99 121.890 121.890 121.964 -0.074 19034 3339 1 7 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.331 -0.589 19034 3340 1 7 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.337 -1.540 19034 3341 1 7 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.941 -2.766 19034 3342 1 7 . 1 1 99 99 TYR H H 99 7.625 7.625 7.261 0.364 19034 3343 1 7 . 1 1 100 100 HIS N N 100 118.065 118.065 116.023 2.042 19034 3344 1 7 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.531 -0.401 19034 3345 1 7 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.488 -1.880 19034 3346 1 7 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.815 -4.021 19034 3347 1 7 . 1 1 100 100 HIS H H 100 8.425 8.425 7.966 0.459 19034 3348 1 7 . 1 1 101 101 ARG N N 101 116.756 116.756 118.343 -1.587 19034 3349 1 7 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.623 -0.522 19034 3350 1 7 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.594 -0.953 19034 3351 1 7 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.468 -4.359 19034 3352 1 7 . 1 1 101 101 ARG H H 101 7.406 7.406 7.190 0.216 19034 3353 1 7 . 1 1 102 102 ARG N N 102 115.254 115.254 119.273 -4.019 19034 3354 1 7 . 1 1 102 102 ARG HA H 102 2.300 2.300 2.903 -0.603 19034 3355 1 7 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.825 -1.239 19034 3356 1 7 . 1 1 102 102 ARG CB C 102 25.084 25.084 30.609 -5.525 19034 3357 1 7 . 1 1 102 102 ARG H H 102 7.297 7.297 8.232 -0.935 19034 3358 1 7 . 1 1 103 103 ASP N N 103 119.588 119.588 122.284 -2.696 19034 3359 1 7 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.484 -0.138 19034 3360 1 7 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.911 -4.330 19034 3361 1 7 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.635 -1.886 19034 3362 1 7 . 1 1 103 103 ASP H H 103 7.467 7.467 8.073 -0.606 19034 3363 1 7 . 1 1 104 104 PHE N N 104 120.438 120.438 120.432 0.006 19034 3364 1 7 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.468 -0.128 19034 3365 1 7 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.189 -5.488 19034 3366 1 7 . 1 1 104 104 PHE CB C 104 36.842 36.842 38.829 -1.987 19034 3367 1 7 . 1 1 104 104 PHE H H 104 7.138 7.138 7.215 -0.077 19034 3368 1 8 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.488 -2.031 19034 3369 1 8 . 1 1 3 3 HIS N N 3 118.891 118.891 118.238 0.653 19034 3370 1 8 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.644 0.189 19034 3371 1 8 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.232 -2.714 19034 3372 1 8 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.646 -3.234 19034 3373 1 8 . 1 1 3 3 HIS H H 3 8.079 8.079 8.017 0.062 19034 3374 1 8 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.574 -1.558 19034 3375 1 8 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.551 -2.584 19034 3376 1 8 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.791 -1.853 19034 3377 1 8 . 1 1 5 5 THR N N 5 113.236 113.236 111.108 2.128 19034 3378 1 8 . 1 1 5 5 THR HA H 5 4.430 4.430 4.589 -0.159 19034 3379 1 8 . 1 1 5 5 THR CA C 5 56.748 56.748 59.587 -2.839 19034 3380 1 8 . 1 1 5 5 THR CB C 5 69.859 69.859 71.796 -1.937 19034 3381 1 8 . 1 1 5 5 THR H H 5 6.242 6.242 7.431 -1.189 19034 3382 1 8 . 1 1 6 6 GLU N N 6 114.417 114.417 120.260 -5.843 19034 3383 1 8 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.216 -0.041 19034 3384 1 8 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.660 -2.236 19034 3385 1 8 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.218 -3.089 19034 3386 1 8 . 1 1 6 6 GLU H H 6 10.185 10.185 8.783 1.402 19034 3387 1 8 . 1 1 7 7 VAL N N 7 119.290 119.290 118.989 0.301 19034 3388 1 8 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.513 0.525 19034 3389 1 8 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.815 -3.539 19034 3390 1 8 . 1 1 7 7 VAL CB C 7 30.522 30.522 34.169 -3.647 19034 3391 1 8 . 1 1 7 7 VAL H H 7 8.270 8.270 7.278 0.992 19034 3392 1 8 . 1 1 8 8 LEU N N 8 130.138 130.138 129.848 0.290 19034 3393 1 8 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.356 -0.715 19034 3394 1 8 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.378 -3.590 19034 3395 1 8 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.330 -2.445 19034 3396 1 8 . 1 1 8 8 LEU H H 8 9.316 9.316 9.082 0.234 19034 3397 1 8 . 1 1 9 9 CYS N N 9 123.769 123.769 125.613 -1.844 19034 3398 1 8 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.192 -0.153 19034 3399 1 8 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.197 -2.949 19034 3400 1 8 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.181 -3.953 19034 3401 1 8 . 1 1 9 9 CYS H H 9 8.902 8.902 9.206 -0.304 19034 3402 1 8 . 1 1 10 10 LEU N N 10 127.313 127.313 127.271 0.042 19034 3403 1 8 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.034 -0.450 19034 3404 1 8 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.170 -1.802 19034 3405 1 8 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.179 -2.470 19034 3406 1 8 . 1 1 10 10 LEU H H 10 9.203 9.203 8.869 0.334 19034 3407 1 8 . 1 1 11 11 MET N N 11 124.158 124.158 123.433 0.725 19034 3408 1 8 . 1 1 11 11 MET HA H 11 4.481 4.481 4.678 -0.197 19034 3409 1 8 . 1 1 11 11 MET CA C 11 52.655 52.655 54.119 -1.464 19034 3410 1 8 . 1 1 11 11 MET CB C 11 33.156 33.156 34.444 -1.288 19034 3411 1 8 . 1 1 11 11 MET H H 11 9.161 9.161 8.725 0.436 19034 3412 1 8 . 1 1 12 12 ASN N N 12 114.067 114.067 113.459 0.608 19034 3413 1 8 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.327 -0.046 19034 3414 1 8 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.680 -2.995 19034 3415 1 8 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.320 -1.006 19034 3416 1 8 . 1 1 12 12 ASN H H 12 8.842 8.842 8.836 0.006 19034 3417 1 8 . 1 1 13 13 MET N N 13 118.202 118.202 117.246 0.956 19034 3418 1 8 . 1 1 13 13 MET HA H 13 3.952 3.952 4.278 -0.326 19034 3419 1 8 . 1 1 13 13 MET CA C 13 55.132 55.132 58.221 -3.090 19034 3420 1 8 . 1 1 13 13 MET CB C 13 31.944 31.944 34.323 -2.379 19034 3421 1 8 . 1 1 13 13 MET H H 13 8.519 8.519 8.070 0.449 19034 3422 1 8 . 1 1 14 14 VAL N N 14 110.436 110.436 109.934 0.502 19034 3423 1 8 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.852 -0.400 19034 3424 1 8 . 1 1 14 14 VAL CA C 14 55.821 55.821 59.327 -3.506 19034 3425 1 8 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.889 -2.135 19034 3426 1 8 . 1 1 14 14 VAL H H 14 6.949 6.949 7.273 -0.324 19034 3427 1 8 . 1 1 15 15 LEU N N 15 123.248 123.248 120.854 2.394 19034 3428 1 8 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.859 -0.080 19034 3429 1 8 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.991 -3.110 19034 3430 1 8 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.510 -3.010 19034 3431 1 8 . 1 1 15 15 LEU H H 15 8.346 8.346 8.850 -0.504 19034 3432 1 8 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.370 -0.487 19034 3433 1 8 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.262 -8.156 19034 3434 1 8 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.863 -2.350 19034 3435 1 8 . 1 1 17 17 GLU N N 17 119.496 119.496 114.452 5.044 19034 3436 1 8 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.487 -0.376 19034 3437 1 8 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.462 -1.968 19034 3438 1 8 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.118 -2.230 19034 3439 1 8 . 1 1 17 17 GLU H H 17 7.754 7.754 8.249 -0.495 19034 3440 1 8 . 1 1 18 18 GLU N N 18 112.697 112.697 118.672 -5.975 19034 3441 1 8 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.493 -0.515 19034 3442 1 8 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.053 0.232 19034 3443 1 8 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.544 -5.468 19034 3444 1 8 . 1 1 18 18 GLU H H 18 8.975 8.975 7.904 1.071 19034 3445 1 8 . 1 1 19 19 LEU N N 19 113.096 113.096 124.094 -10.998 19034 3446 1 8 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.337 0.082 19034 3447 1 8 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.458 -4.509 19034 3448 1 8 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.373 -0.031 19034 3449 1 8 . 1 1 19 19 LEU H H 19 7.266 7.266 7.738 -0.472 19034 3450 1 8 . 1 1 20 20 LEU N N 20 119.130 119.130 119.846 -0.716 19034 3451 1 8 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.598 -0.560 19034 3452 1 8 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.849 -0.847 19034 3453 1 8 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.594 -3.328 19034 3454 1 8 . 1 1 20 20 LEU H H 20 7.102 7.102 7.892 -0.790 19034 3455 1 8 . 1 1 21 21 ASP N N 21 120.713 120.713 121.610 -0.897 19034 3456 1 8 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.471 0.136 19034 3457 1 8 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.529 -4.723 19034 3458 1 8 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.619 -1.052 19034 3459 1 8 . 1 1 21 21 ASP H H 21 8.071 8.071 8.256 -0.185 19034 3460 1 8 . 1 1 22 22 ASP N N 22 126.353 126.353 124.145 2.208 19034 3461 1 8 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.266 -0.024 19034 3462 1 8 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.810 -1.160 19034 3463 1 8 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.885 -2.801 19034 3464 1 8 . 1 1 22 22 ASP H H 22 8.835 8.835 8.865 -0.030 19034 3465 1 8 . 1 1 23 23 GLU N N 23 119.623 119.623 119.589 0.034 19034 3466 1 8 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.141 -0.075 19034 3467 1 8 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.967 -2.127 19034 3468 1 8 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.046 -2.634 19034 3469 1 8 . 1 1 23 23 GLU H H 23 8.177 8.177 8.432 -0.255 19034 3470 1 8 . 1 1 24 24 GLU N N 24 121.959 121.959 120.128 1.831 19034 3471 1 8 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.093 -0.097 19034 3472 1 8 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.716 -2.355 19034 3473 1 8 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.429 -2.972 19034 3474 1 8 . 1 1 24 24 GLU H H 24 8.218 8.218 8.282 -0.064 19034 3475 1 8 . 1 1 25 25 TYR N N 25 119.522 119.522 120.219 -0.697 19034 3476 1 8 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.078 -0.127 19034 3477 1 8 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.600 -1.953 19034 3478 1 8 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.536 -2.531 19034 3479 1 8 . 1 1 25 25 TYR H H 25 8.694 8.694 8.387 0.307 19034 3480 1 8 . 1 1 26 26 GLU N N 26 116.410 116.410 116.971 -0.561 19034 3481 1 8 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.042 -0.340 19034 3482 1 8 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.081 -2.752 19034 3483 1 8 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.426 -3.248 19034 3484 1 8 . 1 1 26 26 GLU H H 26 7.852 7.852 7.737 0.115 19034 3485 1 8 . 1 1 27 27 GLU N N 27 118.895 118.895 119.137 -0.242 19034 3486 1 8 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.103 -0.182 19034 3487 1 8 . 1 1 27 27 GLU CA C 27 56.445 56.445 58.533 -2.088 19034 3488 1 8 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.180 -2.940 19034 3489 1 8 . 1 1 27 27 GLU H H 27 7.555 7.555 7.617 -0.062 19034 3490 1 8 . 1 1 28 28 ILE N N 28 121.720 121.720 119.009 2.711 19034 3491 1 8 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.838 -0.196 19034 3492 1 8 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.204 -1.849 19034 3493 1 8 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.867 -2.801 19034 3494 1 8 . 1 1 28 28 ILE H H 28 7.918 7.918 7.608 0.310 19034 3495 1 8 . 1 1 29 29 VAL N N 29 119.336 119.336 120.706 -1.370 19034 3496 1 8 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.531 -0.496 19034 3497 1 8 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.403 -1.795 19034 3498 1 8 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.939 -1.875 19034 3499 1 8 . 1 1 29 29 VAL H H 29 7.832 7.832 7.498 0.334 19034 3500 1 8 . 1 1 30 30 GLU N N 30 116.291 116.291 119.211 -2.920 19034 3501 1 8 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.014 -0.137 19034 3502 1 8 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.343 -3.282 19034 3503 1 8 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.061 -2.950 19034 3504 1 8 . 1 1 30 30 GLU H H 30 7.405 7.405 7.642 -0.237 19034 3505 1 8 . 1 1 31 31 ASP N N 31 120.811 120.811 120.275 0.536 19034 3506 1 8 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.370 0.004 19034 3507 1 8 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.170 -2.638 19034 3508 1 8 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.817 -3.532 19034 3509 1 8 . 1 1 31 31 ASP H H 31 8.471 8.471 7.819 0.652 19034 3510 1 8 . 1 1 32 32 VAL N N 32 121.006 121.006 118.192 2.814 19034 3511 1 8 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.657 -0.246 19034 3512 1 8 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.481 -0.266 19034 3513 1 8 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.554 -3.009 19034 3514 1 8 . 1 1 32 32 VAL H H 32 8.655 8.655 7.022 1.633 19034 3515 1 8 . 1 1 33 33 ARG N N 33 122.143 122.143 120.680 1.463 19034 3516 1 8 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.851 -0.358 19034 3517 1 8 . 1 1 33 33 ARG CA C 33 58.431 58.431 60.031 -1.600 19034 3518 1 8 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.960 -2.728 19034 3519 1 8 . 1 1 33 33 ARG H H 33 8.507 8.507 8.185 0.322 19034 3520 1 8 . 1 1 34 34 ASP N N 34 120.971 120.971 118.502 2.469 19034 3521 1 8 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.263 -0.007 19034 3522 1 8 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.561 -2.461 19034 3523 1 8 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.717 -2.641 19034 3524 1 8 . 1 1 34 34 ASP H H 34 8.633 8.633 7.653 0.980 19034 3525 1 8 . 1 1 35 35 GLU N N 35 119.918 119.918 118.831 1.087 19034 3526 1 8 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.067 -0.003 19034 3527 1 8 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.843 -2.412 19034 3528 1 8 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.273 -2.413 19034 3529 1 8 . 1 1 35 35 GLU H H 35 8.184 8.184 7.575 0.609 19034 3530 1 8 . 1 1 36 36 CYS N N 36 114.288 114.288 118.812 -4.524 19034 3531 1 8 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.600 -0.226 19034 3532 1 8 . 1 1 36 36 CYS CA C 36 62.543 62.543 62.000 0.543 19034 3533 1 8 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.355 -2.445 19034 3534 1 8 . 1 1 36 36 CYS H H 36 8.584 8.584 7.809 0.775 19034 3535 1 8 . 1 1 37 37 SER N N 37 114.987 114.987 116.586 -1.599 19034 3536 1 8 . 1 1 37 37 SER HA H 37 5.135 5.135 4.368 0.767 19034 3537 1 8 . 1 1 37 37 SER CA C 37 58.124 58.124 61.675 -3.551 19034 3538 1 8 . 1 1 37 37 SER CB C 37 60.481 60.481 62.747 -2.266 19034 3539 1 8 . 1 1 37 37 SER H H 37 8.164 8.164 7.915 0.249 19034 3540 1 8 . 1 1 38 38 LYS N N 38 119.574 119.574 120.248 -0.674 19034 3541 1 8 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.007 -0.203 19034 3542 1 8 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.770 -3.280 19034 3543 1 8 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.268 -2.897 19034 3544 1 8 . 1 1 38 38 LYS H H 38 7.111 7.111 7.592 -0.481 19034 3545 1 8 . 1 1 39 39 TYR N N 39 116.372 116.372 116.275 0.097 19034 3546 1 8 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.559 -0.255 19034 3547 1 8 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.272 -2.348 19034 3548 1 8 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.387 -2.265 19034 3549 1 8 . 1 1 39 39 TYR H H 39 7.576 7.576 8.069 -0.493 19034 3550 1 8 . 1 1 40 40 GLY N N 40 103.718 103.718 104.872 -1.154 19034 3551 1 8 . 1 1 40 40 GLY CA C 40 42.186 42.186 44.544 -2.358 19034 3552 1 8 . 1 1 40 40 GLY H H 40 7.380 7.380 7.367 0.013 19034 3553 1 8 . 1 1 41 41 LEU N N 41 118.877 118.877 121.687 -2.810 19034 3554 1 8 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.702 -0.370 19034 3555 1 8 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.135 -0.065 19034 3556 1 8 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.829 -4.870 19034 3557 1 8 . 1 1 41 41 LEU H H 41 8.260 8.260 8.278 -0.018 19034 3558 1 8 . 1 1 42 42 VAL N N 42 127.032 127.032 125.943 1.089 19034 3559 1 8 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.507 0.000 19034 3560 1 8 . 1 1 42 42 VAL CA C 42 59.948 59.948 61.852 -1.904 19034 3561 1 8 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.818 -2.816 19034 3562 1 8 . 1 1 42 42 VAL H H 42 8.598 8.598 8.337 0.261 19034 3563 1 8 . 1 1 43 43 LYS N N 43 130.977 130.977 127.321 3.656 19034 3564 1 8 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.335 -0.209 19034 3565 1 8 . 1 1 43 43 LYS CA C 43 55.022 55.022 57.639 -2.616 19034 3566 1 8 . 1 1 43 43 LYS CB C 43 32.093 32.093 34.004 -1.911 19034 3567 1 8 . 1 1 43 43 LYS H H 43 9.307 9.307 9.010 0.297 19034 3568 1 8 . 1 1 44 44 SER N N 44 110.453 110.453 111.722 -1.269 19034 3569 1 8 . 1 1 44 44 SER HA H 44 4.492 4.492 4.772 -0.280 19034 3570 1 8 . 1 1 44 44 SER CA C 44 55.890 55.890 57.892 -2.002 19034 3571 1 8 . 1 1 44 44 SER CB C 44 62.940 62.940 66.695 -3.755 19034 3572 1 8 . 1 1 44 44 SER H H 44 7.938 7.938 7.690 0.248 19034 3573 1 8 . 1 1 45 45 ILE N N 45 118.542 118.542 122.257 -3.715 19034 3574 1 8 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.650 0.400 19034 3575 1 8 . 1 1 45 45 ILE CA C 45 57.531 57.531 61.049 -3.518 19034 3576 1 8 . 1 1 45 45 ILE CB C 45 40.320 40.320 40.018 0.302 19034 3577 1 8 . 1 1 45 45 ILE H H 45 8.136 8.136 8.663 -0.527 19034 3578 1 8 . 1 1 46 46 GLU N N 46 125.456 125.456 128.023 -2.567 19034 3579 1 8 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.592 0.108 19034 3580 1 8 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.663 -3.196 19034 3581 1 8 . 1 1 46 46 GLU CB C 46 30.763 30.763 30.802 -0.039 19034 3582 1 8 . 1 1 46 46 GLU H H 46 9.364 9.364 9.225 0.139 19034 3583 1 8 . 1 1 47 47 ILE N N 47 122.471 122.471 127.553 -5.082 19034 3584 1 8 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.589 0.116 19034 3585 1 8 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.272 -1.937 19034 3586 1 8 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.187 -1.399 19034 3587 1 8 . 1 1 47 47 ILE H H 47 8.672 8.672 8.218 0.454 19034 3588 1 8 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.529 -2.653 19034 3589 1 8 . 1 1 49 49 ARG N N 49 120.907 120.907 119.086 1.821 19034 3590 1 8 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.952 -0.245 19034 3591 1 8 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.463 -1.535 19034 3592 1 8 . 1 1 49 49 ARG H H 49 7.944 7.944 8.224 -0.280 19034 3593 1 8 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.402 -0.010 19034 3594 1 8 . 1 1 50 50 PRO CA C 50 60.628 60.628 63.043 -2.415 19034 3595 1 8 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.612 -2.986 19034 3596 1 8 . 1 1 51 51 VAL N N 51 121.425 121.425 119.005 2.420 19034 3597 1 8 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.281 -0.294 19034 3598 1 8 . 1 1 51 51 VAL CA C 51 58.857 58.857 59.684 -0.827 19034 3599 1 8 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.801 -1.563 19034 3600 1 8 . 1 1 51 51 VAL H H 51 7.992 7.992 8.609 -0.617 19034 3601 1 8 . 1 1 52 52 ASP N N 52 127.160 127.160 125.068 2.092 19034 3602 1 8 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.528 -0.291 19034 3603 1 8 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.156 -1.868 19034 3604 1 8 . 1 1 52 52 ASP CB C 52 37.950 37.950 39.321 -1.371 19034 3605 1 8 . 1 1 52 52 ASP H H 52 8.746 8.746 8.499 0.247 19034 3606 1 8 . 1 1 53 53 GLY N N 53 108.483 108.483 111.403 -2.920 19034 3607 1 8 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.396 -2.422 19034 3608 1 8 . 1 1 53 53 GLY H H 53 8.589 8.589 8.300 0.289 19034 3609 1 8 . 1 1 54 54 VAL N N 54 120.874 120.874 118.130 2.744 19034 3610 1 8 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.343 -0.184 19034 3611 1 8 . 1 1 54 54 VAL CA C 54 58.489 58.489 59.884 -1.395 19034 3612 1 8 . 1 1 54 54 VAL CB C 54 32.033 32.033 34.705 -2.672 19034 3613 1 8 . 1 1 54 54 VAL H H 54 7.804 7.804 7.482 0.322 19034 3614 1 8 . 1 1 55 55 GLU N N 55 126.140 126.140 126.041 0.099 19034 3615 1 8 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.266 -0.093 19034 3616 1 8 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.649 -2.953 19034 3617 1 8 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.200 -3.440 19034 3618 1 8 . 1 1 55 55 GLU H H 55 8.578 8.578 8.390 0.188 19034 3619 1 8 . 1 1 56 56 VAL N N 56 124.648 124.648 116.180 8.468 19034 3620 1 8 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.600 -0.245 19034 3621 1 8 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.947 -1.877 19034 3622 1 8 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.873 -3.067 19034 3623 1 8 . 1 1 56 56 VAL H H 56 7.661 7.661 8.245 -0.584 19034 3624 1 8 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.498 -0.381 19034 3625 1 8 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.540 -2.299 19034 3626 1 8 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.923 -2.678 19034 3627 1 8 . 1 1 58 58 GLY N N 58 109.755 109.755 111.292 -1.537 19034 3628 1 8 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.392 -2.545 19034 3629 1 8 . 1 1 58 58 GLY H H 58 8.577 8.577 8.563 0.014 19034 3630 1 8 . 1 1 59 59 CYS N N 59 118.400 118.400 119.239 -0.839 19034 3631 1 8 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.083 -0.028 19034 3632 1 8 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.212 -1.888 19034 3633 1 8 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.541 -4.364 19034 3634 1 8 . 1 1 59 59 CYS H H 59 7.631 7.631 7.550 0.081 19034 3635 1 8 . 1 1 60 60 GLY N N 60 119.002 119.002 111.681 7.321 19034 3636 1 8 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.325 -3.186 19034 3637 1 8 . 1 1 60 60 GLY H H 60 10.447 10.447 8.934 1.513 19034 3638 1 8 . 1 1 61 61 LYS N N 61 122.250 122.250 119.326 2.924 19034 3639 1 8 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.678 -0.347 19034 3640 1 8 . 1 1 61 61 LYS CA C 61 52.944 52.944 53.979 -1.035 19034 3641 1 8 . 1 1 61 61 LYS CB C 61 33.173 33.173 35.013 -1.840 19034 3642 1 8 . 1 1 61 61 LYS H H 61 8.233 8.233 7.253 0.980 19034 3643 1 8 . 1 1 62 62 ILE N N 62 118.312 118.312 120.775 -2.463 19034 3644 1 8 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.353 -0.057 19034 3645 1 8 . 1 1 62 62 ILE CA C 62 57.386 57.386 60.066 -2.680 19034 3646 1 8 . 1 1 62 62 ILE CB C 62 39.003 39.003 40.195 -1.192 19034 3647 1 8 . 1 1 62 62 ILE H H 62 7.272 7.272 8.037 -0.765 19034 3648 1 8 . 1 1 63 63 PHE N N 63 125.445 125.445 124.385 1.060 19034 3649 1 8 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.116 0.184 19034 3650 1 8 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.619 -3.125 19034 3651 1 8 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.266 -1.475 19034 3652 1 8 . 1 1 63 63 PHE H H 63 8.876 8.876 8.617 0.259 19034 3653 1 8 . 1 1 64 64 VAL N N 64 122.504 122.504 123.482 -0.978 19034 3654 1 8 . 1 1 64 64 VAL HA H 64 4.320 4.320 5.103 -0.783 19034 3655 1 8 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.985 -1.457 19034 3656 1 8 . 1 1 64 64 VAL CB C 64 32.571 32.571 34.836 -2.265 19034 3657 1 8 . 1 1 64 64 VAL H H 64 9.161 9.161 9.290 -0.129 19034 3658 1 8 . 1 1 65 65 GLU N N 65 127.687 127.687 129.606 -1.919 19034 3659 1 8 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.947 -0.270 19034 3660 1 8 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.848 -3.403 19034 3661 1 8 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.175 -3.615 19034 3662 1 8 . 1 1 65 65 GLU H H 65 8.601 8.601 8.794 -0.193 19034 3663 1 8 . 1 1 66 66 PHE N N 66 126.672 126.672 125.059 1.613 19034 3664 1 8 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.294 -0.201 19034 3665 1 8 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.363 -1.178 19034 3666 1 8 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.959 -3.818 19034 3667 1 8 . 1 1 66 66 PHE H H 66 9.352 9.352 8.997 0.355 19034 3668 1 8 . 1 1 67 67 THR N N 67 109.616 109.616 110.460 -0.844 19034 3669 1 8 . 1 1 67 67 THR HA H 67 4.248 4.248 4.477 -0.229 19034 3670 1 8 . 1 1 67 67 THR CA C 67 60.963 60.963 61.747 -0.784 19034 3671 1 8 . 1 1 67 67 THR CB C 67 66.974 66.974 70.267 -3.293 19034 3672 1 8 . 1 1 67 67 THR H H 67 9.072 9.072 8.538 0.534 19034 3673 1 8 . 1 1 68 68 SER N N 68 111.776 111.776 116.260 -4.484 19034 3674 1 8 . 1 1 68 68 SER HA H 68 4.922 4.922 4.796 0.126 19034 3675 1 8 . 1 1 68 68 SER CA C 68 53.411 53.411 58.093 -4.681 19034 3676 1 8 . 1 1 68 68 SER CB C 68 63.507 63.507 66.235 -2.728 19034 3677 1 8 . 1 1 68 68 SER H H 68 7.511 7.511 7.598 -0.087 19034 3678 1 8 . 1 1 69 69 VAL N N 69 123.476 123.476 122.202 1.274 19034 3679 1 8 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.871 -0.466 19034 3680 1 8 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.073 -2.485 19034 3681 1 8 . 1 1 69 69 VAL CB C 69 28.878 28.878 32.006 -3.128 19034 3682 1 8 . 1 1 69 69 VAL H H 69 8.854 8.854 8.936 -0.082 19034 3683 1 8 . 1 1 70 70 PHE N N 70 119.530 119.530 120.452 -0.922 19034 3684 1 8 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.483 -0.254 19034 3685 1 8 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.898 -3.995 19034 3686 1 8 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.455 -2.192 19034 3687 1 8 . 1 1 70 70 PHE H H 70 7.673 7.673 8.208 -0.535 19034 3688 1 8 . 1 1 71 71 ASP N N 71 120.024 120.024 120.491 -0.467 19034 3689 1 8 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.601 -0.425 19034 3690 1 8 . 1 1 71 71 ASP CA C 71 54.306 54.306 58.359 -4.053 19034 3691 1 8 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.638 -2.771 19034 3692 1 8 . 1 1 71 71 ASP H H 71 7.585 7.585 8.781 -1.196 19034 3693 1 8 . 1 1 72 72 CYS N N 72 119.689 119.689 115.557 4.132 19034 3694 1 8 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.815 -0.019 19034 3695 1 8 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.424 -4.277 19034 3696 1 8 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.122 -1.772 19034 3697 1 8 . 1 1 72 72 CYS H H 72 7.087 7.087 7.400 -0.313 19034 3698 1 8 . 1 1 73 73 GLN N N 73 117.350 117.350 120.877 -3.527 19034 3699 1 8 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.033 0.373 19034 3700 1 8 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.679 -2.318 19034 3701 1 8 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.385 -1.502 19034 3702 1 8 . 1 1 73 73 GLN H H 73 8.478 8.478 7.971 0.507 19034 3703 1 8 . 1 1 74 74 LYS N N 74 119.692 119.692 120.217 -0.525 19034 3704 1 8 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.069 -0.295 19034 3705 1 8 . 1 1 74 74 LYS CA C 74 56.827 56.827 59.428 -2.601 19034 3706 1 8 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.419 -2.917 19034 3707 1 8 . 1 1 74 74 LYS H H 74 7.468 7.468 7.960 -0.492 19034 3708 1 8 . 1 1 75 75 ALA N N 75 124.287 124.287 122.430 1.857 19034 3709 1 8 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.621 -1.026 19034 3710 1 8 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.163 -3.467 19034 3711 1 8 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.376 -1.285 19034 3712 1 8 . 1 1 75 75 ALA H H 75 7.549 7.549 7.763 -0.214 19034 3713 1 8 . 1 1 76 76 MET N N 76 118.919 118.919 119.065 -0.146 19034 3714 1 8 . 1 1 76 76 MET HA H 76 3.490 3.490 3.718 -0.228 19034 3715 1 8 . 1 1 76 76 MET CA C 76 56.956 56.956 59.391 -2.435 19034 3716 1 8 . 1 1 76 76 MET CB C 76 28.966 28.966 32.462 -3.496 19034 3717 1 8 . 1 1 76 76 MET H H 76 8.700 8.700 8.359 0.341 19034 3718 1 8 . 1 1 77 77 GLN N N 77 118.282 118.282 116.996 1.286 19034 3719 1 8 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.296 -0.440 19034 3720 1 8 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.773 -2.073 19034 3721 1 8 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.485 -2.704 19034 3722 1 8 . 1 1 77 77 GLN H H 77 7.798 7.798 7.691 0.107 19034 3723 1 8 . 1 1 78 78 GLY N N 78 106.137 106.137 109.349 -3.212 19034 3724 1 8 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.955 -3.207 19034 3725 1 8 . 1 1 78 78 GLY H H 78 7.797 7.797 8.484 -0.687 19034 3726 1 8 . 1 1 79 79 LEU N N 79 118.753 118.753 117.082 1.671 19034 3727 1 8 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.511 -0.321 19034 3728 1 8 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.005 0.258 19034 3729 1 8 . 1 1 79 79 LEU CB C 79 40.914 40.914 41.970 -1.056 19034 3730 1 8 . 1 1 79 79 LEU H H 79 8.039 8.039 8.062 -0.023 19034 3731 1 8 . 1 1 80 80 THR N N 80 114.360 114.360 117.008 -2.648 19034 3732 1 8 . 1 1 80 80 THR HA H 80 3.550 3.550 3.894 -0.344 19034 3733 1 8 . 1 1 80 80 THR CA C 80 63.539 63.539 65.237 -1.698 19034 3734 1 8 . 1 1 80 80 THR CB C 80 66.102 66.102 68.535 -2.433 19034 3735 1 8 . 1 1 80 80 THR H H 80 7.177 7.177 7.242 -0.065 19034 3736 1 8 . 1 1 81 81 GLY N N 81 115.554 115.554 116.105 -0.551 19034 3737 1 8 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.188 -2.196 19034 3738 1 8 . 1 1 81 81 GLY H H 81 8.680 8.680 8.718 -0.038 19034 3739 1 8 . 1 1 82 82 ARG N N 82 120.945 120.945 122.074 -1.129 19034 3740 1 8 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.348 -0.255 19034 3741 1 8 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.448 -2.002 19034 3742 1 8 . 1 1 82 82 ARG CB C 82 28.148 28.148 30.923 -2.775 19034 3743 1 8 . 1 1 82 82 ARG H H 82 7.520 7.520 7.642 -0.122 19034 3744 1 8 . 1 1 83 83 LYS N N 83 121.584 121.584 119.204 2.380 19034 3745 1 8 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.165 -0.157 19034 3746 1 8 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.694 -2.972 19034 3747 1 8 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.561 -1.971 19034 3748 1 8 . 1 1 83 83 LYS H H 83 8.165 8.165 8.569 -0.404 19034 3749 1 8 . 1 1 84 84 PHE N N 84 125.104 125.104 123.683 1.421 19034 3750 1 8 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.670 -0.233 19034 3751 1 8 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.647 -2.874 19034 3752 1 8 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.858 0.229 19034 3753 1 8 . 1 1 84 84 PHE H H 84 8.656 8.656 9.011 -0.355 19034 3754 1 8 . 1 1 85 85 ALA N N 85 127.849 127.849 119.157 8.692 19034 3755 1 8 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.212 -0.444 19034 3756 1 8 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.660 -1.612 19034 3757 1 8 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.845 -5.724 19034 3758 1 8 . 1 1 85 85 ALA H H 85 8.831 8.831 7.703 1.128 19034 3759 1 8 . 1 1 86 86 ASN N N 86 113.065 113.065 116.159 -3.094 19034 3760 1 8 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.768 -0.409 19034 3761 1 8 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.507 -2.098 19034 3762 1 8 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.063 -4.341 19034 3763 1 8 . 1 1 86 86 ASN H H 86 8.406 8.406 8.544 -0.138 19034 3764 1 8 . 1 1 87 87 ARG N N 87 121.167 121.167 121.262 -0.095 19034 3765 1 8 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.633 -0.112 19034 3766 1 8 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.877 -2.091 19034 3767 1 8 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.924 -2.044 19034 3768 1 8 . 1 1 87 87 ARG H H 87 8.250 8.250 8.049 0.201 19034 3769 1 8 . 1 1 88 88 VAL N N 88 121.437 121.437 122.057 -0.620 19034 3770 1 8 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.129 0.145 19034 3771 1 8 . 1 1 88 88 VAL CA C 88 59.281 59.281 63.110 -3.829 19034 3772 1 8 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.771 -1.481 19034 3773 1 8 . 1 1 88 88 VAL H H 88 8.279 8.279 8.453 -0.174 19034 3774 1 8 . 1 1 89 89 VAL N N 89 127.754 127.754 129.068 -1.314 19034 3775 1 8 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.150 -0.038 19034 3776 1 8 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.501 -1.370 19034 3777 1 8 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.131 -2.023 19034 3778 1 8 . 1 1 89 89 VAL H H 89 8.601 8.601 9.030 -0.429 19034 3779 1 8 . 1 1 90 90 VAL N N 90 127.874 127.874 125.958 1.916 19034 3780 1 8 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.276 0.045 19034 3781 1 8 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.572 -2.083 19034 3782 1 8 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.329 -1.983 19034 3783 1 8 . 1 1 90 90 VAL H H 90 7.866 7.866 8.076 -0.210 19034 3784 1 8 . 1 1 91 91 THR N N 91 114.187 114.187 114.907 -0.720 19034 3785 1 8 . 1 1 91 91 THR HA H 91 5.528 5.528 5.235 0.293 19034 3786 1 8 . 1 1 91 91 THR CA C 91 56.193 56.193 59.369 -3.176 19034 3787 1 8 . 1 1 91 91 THR CB C 91 69.553 69.553 71.115 -1.562 19034 3788 1 8 . 1 1 91 91 THR H H 91 8.119 8.119 8.147 -0.028 19034 3789 1 8 . 1 1 92 92 LYS N N 92 116.111 116.111 122.045 -5.934 19034 3790 1 8 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.439 -0.093 19034 3791 1 8 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.582 -1.928 19034 3792 1 8 . 1 1 92 92 LYS CB C 92 33.887 33.887 35.179 -1.292 19034 3793 1 8 . 1 1 92 92 LYS H H 92 8.199 8.199 8.504 -0.305 19034 3794 1 8 . 1 1 93 93 TYR N N 93 121.017 121.017 120.675 0.342 19034 3795 1 8 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.554 0.406 19034 3796 1 8 . 1 1 93 93 TYR CA C 93 56.410 56.410 58.303 -1.893 19034 3797 1 8 . 1 1 93 93 TYR CB C 93 36.540 36.540 37.436 -0.896 19034 3798 1 8 . 1 1 93 93 TYR H H 93 8.450 8.450 8.279 0.171 19034 3799 1 8 . 1 1 94 94 CYS N N 94 119.566 119.566 122.908 -3.342 19034 3800 1 8 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.636 0.176 19034 3801 1 8 . 1 1 94 94 CYS CA C 94 54.001 54.001 58.494 -4.493 19034 3802 1 8 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.593 -3.007 19034 3803 1 8 . 1 1 94 94 CYS H H 94 8.614 8.614 8.977 -0.363 19034 3804 1 8 . 1 1 95 95 ASP N N 95 128.707 128.707 120.388 8.319 19034 3805 1 8 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.971 -0.134 19034 3806 1 8 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.105 -2.095 19034 3807 1 8 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.375 -1.659 19034 3808 1 8 . 1 1 95 95 ASP H H 95 8.969 8.969 8.880 0.089 19034 3809 1 8 . 1 1 96 96 PRO CB C 96 29.735 29.735 31.983 -2.248 19034 3810 1 8 . 1 1 97 97 ASP N N 97 118.102 118.102 116.526 1.576 19034 3811 1 8 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.325 0.104 19034 3812 1 8 . 1 1 97 97 ASP CA C 97 55.041 55.041 56.722 -1.681 19034 3813 1 8 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.695 -2.936 19034 3814 1 8 . 1 1 97 97 ASP H H 97 8.189 8.189 8.503 -0.314 19034 3815 1 8 . 1 1 98 98 SER N N 98 116.394 116.394 111.445 4.949 19034 3816 1 8 . 1 1 98 98 SER HA H 98 3.961 3.961 4.362 -0.401 19034 3817 1 8 . 1 1 98 98 SER CA C 98 59.519 59.519 58.021 1.498 19034 3818 1 8 . 1 1 98 98 SER H H 98 7.792 7.792 7.745 0.047 19034 3819 1 8 . 1 1 99 99 TYR N N 99 121.890 121.890 123.497 -1.607 19034 3820 1 8 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.485 -0.743 19034 3821 1 8 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.159 -1.362 19034 3822 1 8 . 1 1 99 99 TYR CB C 99 36.175 36.175 40.302 -4.127 19034 3823 1 8 . 1 1 99 99 TYR H H 99 7.625 7.625 7.838 -0.213 19034 3824 1 8 . 1 1 100 100 HIS N N 100 118.065 118.065 117.005 1.060 19034 3825 1 8 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.382 -0.252 19034 3826 1 8 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.774 -2.166 19034 3827 1 8 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.029 -4.236 19034 3828 1 8 . 1 1 100 100 HIS H H 100 8.425 8.425 8.081 0.344 19034 3829 1 8 . 1 1 101 101 ARG N N 101 116.756 116.756 117.609 -0.853 19034 3830 1 8 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.524 -0.423 19034 3831 1 8 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.406 -0.765 19034 3832 1 8 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.763 -3.654 19034 3833 1 8 . 1 1 101 101 ARG H H 101 7.406 7.406 7.523 -0.117 19034 3834 1 8 . 1 1 102 102 ARG N N 102 115.254 115.254 119.737 -4.483 19034 3835 1 8 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.891 -1.591 19034 3836 1 8 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.502 -1.916 19034 3837 1 8 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.584 -4.500 19034 3838 1 8 . 1 1 102 102 ARG H H 102 7.297 7.297 8.341 -1.044 19034 3839 1 8 . 1 1 103 103 ASP N N 103 119.588 119.588 118.665 0.923 19034 3840 1 8 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.469 -0.123 19034 3841 1 8 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.238 -3.657 19034 3842 1 8 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.376 -2.627 19034 3843 1 8 . 1 1 103 103 ASP H H 103 7.467 7.467 7.602 -0.135 19034 3844 1 8 . 1 1 104 104 PHE N N 104 120.438 120.438 118.915 1.523 19034 3845 1 8 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.272 0.068 19034 3846 1 8 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.792 -5.091 19034 3847 1 8 . 1 1 104 104 PHE CB C 104 36.842 36.842 37.696 -0.854 19034 3848 1 8 . 1 1 104 104 PHE H H 104 7.138 7.138 6.664 0.474 19034 3849 1 9 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.526 -3.069 19034 3850 1 9 . 1 1 3 3 HIS N N 3 118.891 118.891 117.455 1.436 19034 3851 1 9 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.895 -0.062 19034 3852 1 9 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.584 -3.066 19034 3853 1 9 . 1 1 3 3 HIS CB C 3 26.412 26.412 30.586 -4.174 19034 3854 1 9 . 1 1 3 3 HIS H H 3 8.079 8.079 8.366 -0.287 19034 3855 1 9 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.530 -1.514 19034 3856 1 9 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.483 -2.516 19034 3857 1 9 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.103 -2.165 19034 3858 1 9 . 1 1 5 5 THR N N 5 113.236 113.236 113.386 -0.150 19034 3859 1 9 . 1 1 5 5 THR HA H 5 4.430 4.430 4.467 -0.037 19034 3860 1 9 . 1 1 5 5 THR CA C 5 56.748 56.748 59.501 -2.753 19034 3861 1 9 . 1 1 5 5 THR CB C 5 69.859 69.859 72.148 -2.289 19034 3862 1 9 . 1 1 5 5 THR H H 5 6.242 6.242 7.920 -1.678 19034 3863 1 9 . 1 1 6 6 GLU N N 6 114.417 114.417 119.170 -4.753 19034 3864 1 9 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.297 -0.122 19034 3865 1 9 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.171 -1.747 19034 3866 1 9 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.659 -3.530 19034 3867 1 9 . 1 1 6 6 GLU H H 6 10.185 10.185 8.667 1.518 19034 3868 1 9 . 1 1 7 7 VAL N N 7 119.290 119.290 116.413 2.877 19034 3869 1 9 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.823 0.215 19034 3870 1 9 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.837 -2.561 19034 3871 1 9 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.566 -3.045 19034 3872 1 9 . 1 1 7 7 VAL H H 7 8.270 8.270 7.315 0.955 19034 3873 1 9 . 1 1 8 8 LEU N N 8 130.138 130.138 119.644 10.494 19034 3874 1 9 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.988 -0.347 19034 3875 1 9 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.522 -4.734 19034 3876 1 9 . 1 1 8 8 LEU CB C 8 43.885 43.885 47.039 -3.154 19034 3877 1 9 . 1 1 8 8 LEU H H 8 9.316 9.316 8.740 0.576 19034 3878 1 9 . 1 1 9 9 CYS N N 9 123.769 123.769 121.026 2.743 19034 3879 1 9 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.099 -0.060 19034 3880 1 9 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.911 -3.663 19034 3881 1 9 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.266 -4.038 19034 3882 1 9 . 1 1 9 9 CYS H H 9 8.902 8.902 9.047 -0.145 19034 3883 1 9 . 1 1 10 10 LEU N N 10 127.313 127.313 128.432 -1.119 19034 3884 1 9 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.155 -0.571 19034 3885 1 9 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.206 -1.838 19034 3886 1 9 . 1 1 10 10 LEU CB C 10 40.709 40.709 42.781 -2.072 19034 3887 1 9 . 1 1 10 10 LEU H H 10 9.203 9.203 8.944 0.259 19034 3888 1 9 . 1 1 11 11 MET N N 11 124.158 124.158 123.062 1.096 19034 3889 1 9 . 1 1 11 11 MET HA H 11 4.481 4.481 4.536 -0.055 19034 3890 1 9 . 1 1 11 11 MET CA C 11 52.655 52.655 56.349 -3.694 19034 3891 1 9 . 1 1 11 11 MET CB C 11 33.156 33.156 34.213 -1.057 19034 3892 1 9 . 1 1 11 11 MET H H 11 9.161 9.161 8.603 0.558 19034 3893 1 9 . 1 1 12 12 ASN N N 12 114.067 114.067 112.939 1.128 19034 3894 1 9 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.316 -0.035 19034 3895 1 9 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.668 -2.983 19034 3896 1 9 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.510 -1.196 19034 3897 1 9 . 1 1 12 12 ASN H H 12 8.842 8.842 9.014 -0.172 19034 3898 1 9 . 1 1 13 13 MET N N 13 118.202 118.202 117.859 0.343 19034 3899 1 9 . 1 1 13 13 MET HA H 13 3.952 3.952 4.353 -0.401 19034 3900 1 9 . 1 1 13 13 MET CA C 13 55.132 55.132 58.342 -3.210 19034 3901 1 9 . 1 1 13 13 MET CB C 13 31.944 31.944 33.615 -1.671 19034 3902 1 9 . 1 1 13 13 MET H H 13 8.519 8.519 8.001 0.518 19034 3903 1 9 . 1 1 14 14 VAL N N 14 110.436 110.436 112.809 -2.373 19034 3904 1 9 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.238 0.214 19034 3905 1 9 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.353 -4.532 19034 3906 1 9 . 1 1 14 14 VAL CB C 14 32.754 32.754 32.619 0.135 19034 3907 1 9 . 1 1 14 14 VAL H H 14 6.949 6.949 7.816 -0.867 19034 3908 1 9 . 1 1 15 15 LEU N N 15 123.248 123.248 121.756 1.492 19034 3909 1 9 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.700 0.079 19034 3910 1 9 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.898 -3.017 19034 3911 1 9 . 1 1 15 15 LEU CB C 15 39.500 39.500 40.199 -0.699 19034 3912 1 9 . 1 1 15 15 LEU H H 15 8.346 8.346 8.977 -0.631 19034 3913 1 9 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.479 -0.596 19034 3914 1 9 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.697 -8.591 19034 3915 1 9 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.219 -2.706 19034 3916 1 9 . 1 1 17 17 GLU N N 17 119.496 119.496 115.594 3.902 19034 3917 1 9 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.329 -0.218 19034 3918 1 9 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.767 -2.272 19034 3919 1 9 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.046 -2.158 19034 3920 1 9 . 1 1 17 17 GLU H H 17 7.754 7.754 8.451 -0.697 19034 3921 1 9 . 1 1 18 18 GLU N N 18 112.697 112.697 118.835 -6.138 19034 3922 1 9 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.308 -0.330 19034 3923 1 9 . 1 1 18 18 GLU CA C 18 56.285 56.285 57.646 -1.361 19034 3924 1 9 . 1 1 18 18 GLU CB C 18 26.076 26.076 29.902 -3.826 19034 3925 1 9 . 1 1 18 18 GLU H H 18 8.975 8.975 7.707 1.268 19034 3926 1 9 . 1 1 19 19 LEU N N 19 113.096 113.096 121.629 -8.533 19034 3927 1 9 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.291 0.128 19034 3928 1 9 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.106 -4.157 19034 3929 1 9 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.217 0.126 19034 3930 1 9 . 1 1 19 19 LEU H H 19 7.266 7.266 8.191 -0.925 19034 3931 1 9 . 1 1 20 20 LEU N N 20 119.130 119.130 117.863 1.267 19034 3932 1 9 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.492 -0.454 19034 3933 1 9 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.834 -0.832 19034 3934 1 9 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.808 -3.542 19034 3935 1 9 . 1 1 20 20 LEU H H 20 7.102 7.102 8.107 -1.005 19034 3936 1 9 . 1 1 21 21 ASP N N 21 120.713 120.713 121.417 -0.704 19034 3937 1 9 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.869 -0.262 19034 3938 1 9 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.801 -2.995 19034 3939 1 9 . 1 1 21 21 ASP CB C 21 40.567 40.567 43.418 -2.851 19034 3940 1 9 . 1 1 21 21 ASP H H 21 8.071 8.071 7.633 0.438 19034 3941 1 9 . 1 1 22 22 ASP N N 22 126.353 126.353 125.369 0.984 19034 3942 1 9 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.406 -0.164 19034 3943 1 9 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.708 -1.058 19034 3944 1 9 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.789 -2.706 19034 3945 1 9 . 1 1 22 22 ASP H H 22 8.835 8.835 8.981 -0.146 19034 3946 1 9 . 1 1 23 23 GLU N N 23 119.623 119.623 117.946 1.677 19034 3947 1 9 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.129 -0.063 19034 3948 1 9 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.418 -1.578 19034 3949 1 9 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.496 -3.084 19034 3950 1 9 . 1 1 23 23 GLU H H 23 8.177 8.177 8.358 -0.181 19034 3951 1 9 . 1 1 24 24 GLU N N 24 121.959 121.959 121.856 0.103 19034 3952 1 9 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.271 -0.275 19034 3953 1 9 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.463 -2.102 19034 3954 1 9 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.926 -3.469 19034 3955 1 9 . 1 1 24 24 GLU H H 24 8.218 8.218 7.782 0.436 19034 3956 1 9 . 1 1 25 25 TYR N N 25 119.522 119.522 120.053 -0.531 19034 3957 1 9 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.115 -0.164 19034 3958 1 9 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.549 -1.902 19034 3959 1 9 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.611 -2.606 19034 3960 1 9 . 1 1 25 25 TYR H H 25 8.694 8.694 8.068 0.626 19034 3961 1 9 . 1 1 26 26 GLU N N 26 116.410 116.410 117.584 -1.174 19034 3962 1 9 . 1 1 26 26 GLU HA H 26 3.702 3.702 3.914 -0.212 19034 3963 1 9 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.412 -3.083 19034 3964 1 9 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.584 -3.406 19034 3965 1 9 . 1 1 26 26 GLU H H 26 7.852 7.852 8.057 -0.205 19034 3966 1 9 . 1 1 27 27 GLU N N 27 118.895 118.895 120.018 -1.123 19034 3967 1 9 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.000 -0.079 19034 3968 1 9 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.118 -2.673 19034 3969 1 9 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.445 -3.205 19034 3970 1 9 . 1 1 27 27 GLU H H 27 7.555 7.555 7.634 -0.079 19034 3971 1 9 . 1 1 28 28 ILE N N 28 121.720 121.720 119.392 2.328 19034 3972 1 9 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.544 0.098 19034 3973 1 9 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.475 -3.120 19034 3974 1 9 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.813 -2.747 19034 3975 1 9 . 1 1 28 28 ILE H H 28 7.918 7.918 7.345 0.573 19034 3976 1 9 . 1 1 29 29 VAL N N 29 119.336 119.336 117.674 1.662 19034 3977 1 9 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.567 -0.532 19034 3978 1 9 . 1 1 29 29 VAL CA C 29 64.607 64.607 65.959 -1.352 19034 3979 1 9 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.253 -2.189 19034 3980 1 9 . 1 1 29 29 VAL H H 29 7.832 7.832 7.219 0.613 19034 3981 1 9 . 1 1 30 30 GLU N N 30 116.291 116.291 118.866 -2.575 19034 3982 1 9 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.102 -0.225 19034 3983 1 9 . 1 1 30 30 GLU CA C 30 56.061 56.061 58.944 -2.883 19034 3984 1 9 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.352 -3.241 19034 3985 1 9 . 1 1 30 30 GLU H H 30 7.405 7.405 7.389 0.016 19034 3986 1 9 . 1 1 31 31 ASP N N 31 120.811 120.811 120.030 0.781 19034 3987 1 9 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.369 0.005 19034 3988 1 9 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.327 -2.795 19034 3989 1 9 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.861 -3.576 19034 3990 1 9 . 1 1 31 31 ASP H H 31 8.471 8.471 8.474 -0.003 19034 3991 1 9 . 1 1 32 32 VAL N N 32 121.006 121.006 116.952 4.054 19034 3992 1 9 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.870 -0.459 19034 3993 1 9 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.067 0.148 19034 3994 1 9 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.543 -2.998 19034 3995 1 9 . 1 1 32 32 VAL H H 32 8.655 8.655 7.337 1.318 19034 3996 1 9 . 1 1 33 33 ARG N N 33 122.143 122.143 120.842 1.301 19034 3997 1 9 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.987 -0.494 19034 3998 1 9 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.342 -0.911 19034 3999 1 9 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.956 -2.724 19034 4000 1 9 . 1 1 33 33 ARG H H 33 8.507 8.507 7.233 1.274 19034 4001 1 9 . 1 1 34 34 ASP N N 34 120.971 120.971 119.182 1.789 19034 4002 1 9 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.307 -0.051 19034 4003 1 9 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.393 -2.293 19034 4004 1 9 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.745 -2.669 19034 4005 1 9 . 1 1 34 34 ASP H H 34 8.633 8.633 7.758 0.875 19034 4006 1 9 . 1 1 35 35 GLU N N 35 119.918 119.918 117.599 2.319 19034 4007 1 9 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.144 -0.080 19034 4008 1 9 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.417 -1.986 19034 4009 1 9 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.161 -2.301 19034 4010 1 9 . 1 1 35 35 GLU H H 35 8.184 8.184 7.716 0.468 19034 4011 1 9 . 1 1 36 36 CYS N N 36 114.288 114.288 117.943 -3.655 19034 4012 1 9 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.732 -0.358 19034 4013 1 9 . 1 1 36 36 CYS CA C 36 62.543 62.543 59.986 2.558 19034 4014 1 9 . 1 1 36 36 CYS CB C 36 24.910 24.910 28.589 -3.679 19034 4015 1 9 . 1 1 36 36 CYS H H 36 8.584 8.584 7.491 1.093 19034 4016 1 9 . 1 1 37 37 SER N N 37 114.987 114.987 116.783 -1.796 19034 4017 1 9 . 1 1 37 37 SER HA H 37 5.135 5.135 4.413 0.722 19034 4018 1 9 . 1 1 37 37 SER CA C 37 58.124 58.124 61.620 -3.496 19034 4019 1 9 . 1 1 37 37 SER CB C 37 60.481 60.481 62.657 -2.176 19034 4020 1 9 . 1 1 37 37 SER H H 37 8.164 8.164 7.877 0.287 19034 4021 1 9 . 1 1 38 38 LYS N N 38 119.574 119.574 120.710 -1.136 19034 4022 1 9 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.977 -0.173 19034 4023 1 9 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.820 -3.330 19034 4024 1 9 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.422 -3.051 19034 4025 1 9 . 1 1 38 38 LYS H H 38 7.111 7.111 7.875 -0.764 19034 4026 1 9 . 1 1 39 39 TYR N N 39 116.372 116.372 115.217 1.155 19034 4027 1 9 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.592 -0.288 19034 4028 1 9 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.883 -1.959 19034 4029 1 9 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.459 -2.337 19034 4030 1 9 . 1 1 39 39 TYR H H 39 7.576 7.576 8.120 -0.544 19034 4031 1 9 . 1 1 40 40 GLY N N 40 103.718 103.718 105.540 -1.822 19034 4032 1 9 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.447 -3.261 19034 4033 1 9 . 1 1 40 40 GLY H H 40 7.380 7.380 7.455 -0.075 19034 4034 1 9 . 1 1 41 41 LEU N N 41 118.877 118.877 122.387 -3.510 19034 4035 1 9 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.917 -0.585 19034 4036 1 9 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.934 -1.863 19034 4037 1 9 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.207 -5.248 19034 4038 1 9 . 1 1 41 41 LEU H H 41 8.260 8.260 9.631 -1.371 19034 4039 1 9 . 1 1 42 42 VAL N N 42 127.032 127.032 125.830 1.202 19034 4040 1 9 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.708 -0.201 19034 4041 1 9 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.356 -2.408 19034 4042 1 9 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.114 -2.112 19034 4043 1 9 . 1 1 42 42 VAL H H 42 8.598 8.598 8.515 0.083 19034 4044 1 9 . 1 1 43 43 LYS N N 43 130.977 130.977 128.354 2.623 19034 4045 1 9 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.164 -0.038 19034 4046 1 9 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.094 -3.072 19034 4047 1 9 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.417 -1.324 19034 4048 1 9 . 1 1 43 43 LYS H H 43 9.307 9.307 8.909 0.398 19034 4049 1 9 . 1 1 44 44 SER N N 44 110.453 110.453 107.881 2.572 19034 4050 1 9 . 1 1 44 44 SER HA H 44 4.492 4.492 4.650 -0.158 19034 4051 1 9 . 1 1 44 44 SER CA C 44 55.890 55.890 57.218 -1.327 19034 4052 1 9 . 1 1 44 44 SER CB C 44 62.940 62.940 64.458 -1.518 19034 4053 1 9 . 1 1 44 44 SER H H 44 7.938 7.938 7.540 0.398 19034 4054 1 9 . 1 1 45 45 ILE N N 45 118.542 118.542 120.171 -1.629 19034 4055 1 9 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.685 0.365 19034 4056 1 9 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.393 -2.862 19034 4057 1 9 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.402 -1.082 19034 4058 1 9 . 1 1 45 45 ILE H H 45 8.136 8.136 8.367 -0.231 19034 4059 1 9 . 1 1 46 46 GLU N N 46 125.456 125.456 126.585 -1.129 19034 4060 1 9 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.692 0.008 19034 4061 1 9 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.275 -1.808 19034 4062 1 9 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.625 -0.862 19034 4063 1 9 . 1 1 46 46 GLU H H 46 9.364 9.364 9.049 0.315 19034 4064 1 9 . 1 1 47 47 ILE N N 47 122.471 122.471 126.328 -3.857 19034 4065 1 9 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.675 0.030 19034 4066 1 9 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.523 -2.188 19034 4067 1 9 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.959 -3.171 19034 4068 1 9 . 1 1 47 47 ILE H H 47 8.672 8.672 8.595 0.077 19034 4069 1 9 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.870 -1.994 19034 4070 1 9 . 1 1 49 49 ARG N N 49 120.907 120.907 126.116 -5.209 19034 4071 1 9 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.463 0.244 19034 4072 1 9 . 1 1 49 49 ARG CB C 49 29.928 29.928 29.324 0.604 19034 4073 1 9 . 1 1 49 49 ARG H H 49 7.944 7.944 8.311 -0.367 19034 4074 1 9 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.358 0.034 19034 4075 1 9 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.738 -2.110 19034 4076 1 9 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.771 -3.145 19034 4077 1 9 . 1 1 51 51 VAL N N 51 121.425 121.425 121.160 0.265 19034 4078 1 9 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.273 -0.286 19034 4079 1 9 . 1 1 51 51 VAL CA C 51 58.857 58.857 60.868 -2.011 19034 4080 1 9 . 1 1 51 51 VAL CB C 51 32.238 32.238 32.101 0.137 19034 4081 1 9 . 1 1 51 51 VAL H H 51 7.992 7.992 7.896 0.096 19034 4082 1 9 . 1 1 52 52 ASP N N 52 127.160 127.160 128.835 -1.675 19034 4083 1 9 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.287 -0.050 19034 4084 1 9 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.776 -1.488 19034 4085 1 9 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.549 -2.599 19034 4086 1 9 . 1 1 52 52 ASP H H 52 8.746 8.746 8.951 -0.205 19034 4087 1 9 . 1 1 53 53 GLY N N 53 108.483 108.483 103.960 4.523 19034 4088 1 9 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.002 -2.028 19034 4089 1 9 . 1 1 53 53 GLY H H 53 8.589 8.589 8.003 0.586 19034 4090 1 9 . 1 1 54 54 VAL N N 54 120.874 120.874 122.706 -1.832 19034 4091 1 9 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.139 0.020 19034 4092 1 9 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.926 -3.437 19034 4093 1 9 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.291 -0.258 19034 4094 1 9 . 1 1 54 54 VAL H H 54 7.804 7.804 7.940 -0.136 19034 4095 1 9 . 1 1 55 55 GLU N N 55 126.140 126.140 126.564 -0.424 19034 4096 1 9 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.290 -0.117 19034 4097 1 9 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.054 -2.358 19034 4098 1 9 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.442 -3.682 19034 4099 1 9 . 1 1 55 55 GLU H H 55 8.578 8.578 8.544 0.034 19034 4100 1 9 . 1 1 56 56 VAL N N 56 124.648 124.648 120.868 3.780 19034 4101 1 9 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.549 -0.194 19034 4102 1 9 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.527 -1.457 19034 4103 1 9 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.709 -3.903 19034 4104 1 9 . 1 1 56 56 VAL H H 56 7.661 7.661 8.264 -0.603 19034 4105 1 9 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.561 -0.444 19034 4106 1 9 . 1 1 57 57 PRO CA C 57 61.241 61.241 64.028 -2.787 19034 4107 1 9 . 1 1 57 57 PRO CB C 57 29.245 29.245 30.473 -1.228 19034 4108 1 9 . 1 1 58 58 GLY N N 58 109.755 109.755 111.288 -1.533 19034 4109 1 9 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.956 -2.109 19034 4110 1 9 . 1 1 58 58 GLY H H 58 8.577 8.577 8.184 0.393 19034 4111 1 9 . 1 1 59 59 CYS N N 59 118.400 118.400 121.717 -3.317 19034 4112 1 9 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.764 -0.709 19034 4113 1 9 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.382 -1.058 19034 4114 1 9 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.357 -4.179 19034 4115 1 9 . 1 1 59 59 CYS H H 59 7.631 7.631 8.099 -0.468 19034 4116 1 9 . 1 1 60 60 GLY N N 60 119.002 119.002 114.940 4.062 19034 4117 1 9 . 1 1 60 60 GLY CA C 60 42.139 42.139 46.047 -3.908 19034 4118 1 9 . 1 1 60 60 GLY H H 60 10.447 10.447 8.663 1.784 19034 4119 1 9 . 1 1 61 61 LYS N N 61 122.250 122.250 120.356 1.894 19034 4120 1 9 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.361 -0.030 19034 4121 1 9 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.856 -2.912 19034 4122 1 9 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.077 0.096 19034 4123 1 9 . 1 1 61 61 LYS H H 61 8.233 8.233 7.323 0.910 19034 4124 1 9 . 1 1 62 62 ILE N N 62 118.312 118.312 120.530 -2.218 19034 4125 1 9 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.877 -0.581 19034 4126 1 9 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.375 -1.989 19034 4127 1 9 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.373 -2.370 19034 4128 1 9 . 1 1 62 62 ILE H H 62 7.272 7.272 8.099 -0.827 19034 4129 1 9 . 1 1 63 63 PHE N N 63 125.445 125.445 122.887 2.558 19034 4130 1 9 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.653 -0.353 19034 4131 1 9 . 1 1 63 63 PHE CA C 63 53.494 53.494 55.964 -2.470 19034 4132 1 9 . 1 1 63 63 PHE CB C 63 39.791 39.791 43.011 -3.220 19034 4133 1 9 . 1 1 63 63 PHE H H 63 8.876 8.876 8.915 -0.039 19034 4134 1 9 . 1 1 64 64 VAL N N 64 122.504 122.504 119.189 3.315 19034 4135 1 9 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.895 -0.575 19034 4136 1 9 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.270 -1.742 19034 4137 1 9 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.538 -3.967 19034 4138 1 9 . 1 1 64 64 VAL H H 64 9.161 9.161 9.148 0.013 19034 4139 1 9 . 1 1 65 65 GLU N N 65 127.687 127.687 124.543 3.144 19034 4140 1 9 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.770 -0.093 19034 4141 1 9 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.059 -2.614 19034 4142 1 9 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.262 -4.703 19034 4143 1 9 . 1 1 65 65 GLU H H 65 8.601 8.601 8.489 0.112 19034 4144 1 9 . 1 1 66 66 PHE N N 66 126.672 126.672 123.322 3.350 19034 4145 1 9 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.508 -0.415 19034 4146 1 9 . 1 1 66 66 PHE CA C 66 55.185 55.185 55.996 -0.811 19034 4147 1 9 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.213 -3.072 19034 4148 1 9 . 1 1 66 66 PHE H H 66 9.352 9.352 9.003 0.349 19034 4149 1 9 . 1 1 67 67 THR N N 67 109.616 109.616 112.284 -2.668 19034 4150 1 9 . 1 1 67 67 THR HA H 67 4.248 4.248 4.328 -0.080 19034 4151 1 9 . 1 1 67 67 THR CA C 67 60.963 60.963 63.486 -2.523 19034 4152 1 9 . 1 1 67 67 THR CB C 67 66.974 66.974 69.433 -2.459 19034 4153 1 9 . 1 1 67 67 THR H H 67 9.072 9.072 8.915 0.157 19034 4154 1 9 . 1 1 68 68 SER N N 68 111.776 111.776 113.850 -2.074 19034 4155 1 9 . 1 1 68 68 SER HA H 68 4.922 4.922 4.974 -0.052 19034 4156 1 9 . 1 1 68 68 SER CA C 68 53.411 53.411 56.623 -3.212 19034 4157 1 9 . 1 1 68 68 SER CB C 68 63.507 63.507 65.523 -2.016 19034 4158 1 9 . 1 1 68 68 SER H H 68 7.511 7.511 8.460 -0.949 19034 4159 1 9 . 1 1 69 69 VAL N N 69 123.476 123.476 124.453 -0.977 19034 4160 1 9 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.907 -0.502 19034 4161 1 9 . 1 1 69 69 VAL CA C 69 62.588 62.588 66.259 -3.671 19034 4162 1 9 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.818 -2.940 19034 4163 1 9 . 1 1 69 69 VAL H H 69 8.854 8.854 9.091 -0.237 19034 4164 1 9 . 1 1 70 70 PHE N N 70 119.530 119.530 117.593 1.937 19034 4165 1 9 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.226 0.003 19034 4166 1 9 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.923 -4.021 19034 4167 1 9 . 1 1 70 70 PHE CB C 70 36.263 36.263 39.198 -2.935 19034 4168 1 9 . 1 1 70 70 PHE H H 70 7.673 7.673 7.882 -0.209 19034 4169 1 9 . 1 1 71 71 ASP N N 71 120.024 120.024 119.153 0.871 19034 4170 1 9 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.485 -0.309 19034 4171 1 9 . 1 1 71 71 ASP CA C 71 54.306 54.306 55.929 -1.623 19034 4172 1 9 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.488 -2.621 19034 4173 1 9 . 1 1 71 71 ASP H H 71 7.585 7.585 7.820 -0.235 19034 4174 1 9 . 1 1 72 72 CYS N N 72 119.689 119.689 120.691 -1.002 19034 4175 1 9 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.552 0.244 19034 4176 1 9 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.985 -4.838 19034 4177 1 9 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.898 -2.549 19034 4178 1 9 . 1 1 72 72 CYS H H 72 7.087 7.087 7.547 -0.460 19034 4179 1 9 . 1 1 73 73 GLN N N 73 117.350 117.350 118.621 -1.271 19034 4180 1 9 . 1 1 73 73 GLN HA H 73 4.406 4.406 3.934 0.471 19034 4181 1 9 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.915 -2.554 19034 4182 1 9 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.581 -1.698 19034 4183 1 9 . 1 1 73 73 GLN H H 73 8.478 8.478 8.205 0.273 19034 4184 1 9 . 1 1 74 74 LYS N N 74 119.692 119.692 118.500 1.192 19034 4185 1 9 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.118 -0.344 19034 4186 1 9 . 1 1 74 74 LYS CA C 74 56.827 56.827 59.117 -2.290 19034 4187 1 9 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.378 -2.876 19034 4188 1 9 . 1 1 74 74 LYS H H 74 7.468 7.468 7.429 0.039 19034 4189 1 9 . 1 1 75 75 ALA N N 75 124.287 124.287 122.546 1.741 19034 4190 1 9 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.633 -1.038 19034 4191 1 9 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.804 -3.108 19034 4192 1 9 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.063 -0.972 19034 4193 1 9 . 1 1 75 75 ALA H H 75 7.549 7.549 7.280 0.269 19034 4194 1 9 . 1 1 76 76 MET N N 76 118.919 118.919 118.494 0.425 19034 4195 1 9 . 1 1 76 76 MET HA H 76 3.490 3.490 3.757 -0.267 19034 4196 1 9 . 1 1 76 76 MET CA C 76 56.956 56.956 59.024 -2.068 19034 4197 1 9 . 1 1 76 76 MET CB C 76 28.966 28.966 32.346 -3.380 19034 4198 1 9 . 1 1 76 76 MET H H 76 8.700 8.700 8.161 0.539 19034 4199 1 9 . 1 1 77 77 GLN N N 77 118.282 118.282 117.660 0.622 19034 4200 1 9 . 1 1 77 77 GLN HA H 77 3.856 3.856 3.967 -0.111 19034 4201 1 9 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.465 -2.765 19034 4202 1 9 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.500 -2.719 19034 4203 1 9 . 1 1 77 77 GLN H H 77 7.798 7.798 8.005 -0.207 19034 4204 1 9 . 1 1 78 78 GLY N N 78 106.137 106.137 106.584 -0.447 19034 4205 1 9 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.380 -2.632 19034 4206 1 9 . 1 1 78 78 GLY H H 78 7.797 7.797 7.954 -0.157 19034 4207 1 9 . 1 1 79 79 LEU N N 79 118.753 118.753 118.223 0.530 19034 4208 1 9 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.411 -0.221 19034 4209 1 9 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.470 -0.207 19034 4210 1 9 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.553 -1.639 19034 4211 1 9 . 1 1 79 79 LEU H H 79 8.039 8.039 7.383 0.656 19034 4212 1 9 . 1 1 80 80 THR N N 80 114.360 114.360 117.669 -3.309 19034 4213 1 9 . 1 1 80 80 THR HA H 80 3.550 3.550 4.016 -0.466 19034 4214 1 9 . 1 1 80 80 THR CA C 80 63.539 63.539 64.732 -1.193 19034 4215 1 9 . 1 1 80 80 THR CB C 80 66.102 66.102 68.251 -2.149 19034 4216 1 9 . 1 1 80 80 THR H H 80 7.177 7.177 7.634 -0.457 19034 4217 1 9 . 1 1 81 81 GLY N N 81 115.554 115.554 114.784 0.770 19034 4218 1 9 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.694 -1.701 19034 4219 1 9 . 1 1 81 81 GLY H H 81 8.680 8.680 8.021 0.659 19034 4220 1 9 . 1 1 82 82 ARG N N 82 120.945 120.945 122.087 -1.142 19034 4221 1 9 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.461 -0.368 19034 4222 1 9 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.295 -1.849 19034 4223 1 9 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.200 -3.052 19034 4224 1 9 . 1 1 82 82 ARG H H 82 7.520 7.520 8.025 -0.505 19034 4225 1 9 . 1 1 83 83 LYS N N 83 121.584 121.584 119.142 2.442 19034 4226 1 9 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.164 -0.156 19034 4227 1 9 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.587 -2.865 19034 4228 1 9 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.385 -2.795 19034 4229 1 9 . 1 1 83 83 LYS H H 83 8.165 8.165 8.458 -0.293 19034 4230 1 9 . 1 1 84 84 PHE N N 84 125.104 125.104 123.322 1.782 19034 4231 1 9 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.659 -0.222 19034 4232 1 9 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.821 -2.048 19034 4233 1 9 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.893 0.194 19034 4234 1 9 . 1 1 84 84 PHE H H 84 8.656 8.656 9.098 -0.442 19034 4235 1 9 . 1 1 85 85 ALA N N 85 127.849 127.849 120.621 7.228 19034 4236 1 9 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.152 -0.384 19034 4237 1 9 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.792 -1.744 19034 4238 1 9 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.314 -5.194 19034 4239 1 9 . 1 1 85 85 ALA H H 85 8.831 8.831 7.871 0.960 19034 4240 1 9 . 1 1 86 86 ASN N N 86 113.065 113.065 116.161 -3.096 19034 4241 1 9 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.844 -0.485 19034 4242 1 9 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.569 -2.160 19034 4243 1 9 . 1 1 86 86 ASN CB C 86 35.722 35.722 41.220 -5.498 19034 4244 1 9 . 1 1 86 86 ASN H H 86 8.406 8.406 8.610 -0.204 19034 4245 1 9 . 1 1 87 87 ARG N N 87 121.167 121.167 119.000 2.167 19034 4246 1 9 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.696 -0.175 19034 4247 1 9 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.267 -1.482 19034 4248 1 9 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.904 -3.024 19034 4249 1 9 . 1 1 87 87 ARG H H 87 8.250 8.250 8.109 0.141 19034 4250 1 9 . 1 1 88 88 VAL N N 88 121.437 121.437 122.496 -1.059 19034 4251 1 9 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.102 0.172 19034 4252 1 9 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.627 -3.346 19034 4253 1 9 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.372 -2.082 19034 4254 1 9 . 1 1 88 88 VAL H H 88 8.279 8.279 8.402 -0.123 19034 4255 1 9 . 1 1 89 89 VAL N N 89 127.754 127.754 129.394 -1.640 19034 4256 1 9 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.056 0.056 19034 4257 1 9 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.984 -1.853 19034 4258 1 9 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.035 -1.927 19034 4259 1 9 . 1 1 89 89 VAL H H 89 8.601 8.601 8.693 -0.092 19034 4260 1 9 . 1 1 90 90 VAL N N 90 127.874 127.874 126.588 1.286 19034 4261 1 9 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.378 -0.057 19034 4262 1 9 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.205 -1.716 19034 4263 1 9 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.697 -1.351 19034 4264 1 9 . 1 1 90 90 VAL H H 90 7.866 7.866 7.889 -0.023 19034 4265 1 9 . 1 1 91 91 THR N N 91 114.187 114.187 116.534 -2.347 19034 4266 1 9 . 1 1 91 91 THR HA H 91 5.528 5.528 4.862 0.666 19034 4267 1 9 . 1 1 91 91 THR CA C 91 56.193 56.193 60.257 -4.064 19034 4268 1 9 . 1 1 91 91 THR CB C 91 69.553 69.553 70.526 -0.973 19034 4269 1 9 . 1 1 91 91 THR H H 91 8.119 8.119 8.277 -0.158 19034 4270 1 9 . 1 1 92 92 LYS N N 92 116.111 116.111 121.510 -5.399 19034 4271 1 9 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.450 -0.104 19034 4272 1 9 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.903 -2.249 19034 4273 1 9 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.905 -3.018 19034 4274 1 9 . 1 1 92 92 LYS H H 92 8.199 8.199 8.464 -0.265 19034 4275 1 9 . 1 1 93 93 TYR N N 93 121.017 121.017 120.465 0.552 19034 4276 1 9 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.429 0.531 19034 4277 1 9 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.341 -2.931 19034 4278 1 9 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.505 -2.965 19034 4279 1 9 . 1 1 93 93 TYR H H 93 8.450 8.450 8.530 -0.080 19034 4280 1 9 . 1 1 94 94 CYS N N 94 119.566 119.566 119.053 0.513 19034 4281 1 9 . 1 1 94 94 CYS HA H 94 4.812 4.812 5.079 -0.267 19034 4282 1 9 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.155 -3.154 19034 4283 1 9 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.709 -4.123 19034 4284 1 9 . 1 1 94 94 CYS H H 94 8.614 8.614 9.150 -0.536 19034 4285 1 9 . 1 1 95 95 ASP N N 95 128.707 128.707 120.455 8.252 19034 4286 1 9 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.079 -0.242 19034 4287 1 9 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.304 -2.294 19034 4288 1 9 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.178 -2.462 19034 4289 1 9 . 1 1 95 95 ASP H H 95 8.969 8.969 8.613 0.356 19034 4290 1 9 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.164 -2.429 19034 4291 1 9 . 1 1 97 97 ASP N N 97 118.102 118.102 118.905 -0.803 19034 4292 1 9 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.491 -0.062 19034 4293 1 9 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.858 -2.817 19034 4294 1 9 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.647 -2.888 19034 4295 1 9 . 1 1 97 97 ASP H H 97 8.189 8.189 8.772 -0.583 19034 4296 1 9 . 1 1 98 98 SER N N 98 116.394 116.394 115.765 0.629 19034 4297 1 9 . 1 1 98 98 SER HA H 98 3.961 3.961 4.184 -0.223 19034 4298 1 9 . 1 1 98 98 SER CA C 98 59.519 59.519 61.355 -1.836 19034 4299 1 9 . 1 1 98 98 SER H H 98 7.792 7.792 7.876 -0.084 19034 4300 1 9 . 1 1 99 99 TYR N N 99 121.890 121.890 123.183 -1.293 19034 4301 1 9 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.197 -0.455 19034 4302 1 9 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.165 -2.368 19034 4303 1 9 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.636 -2.461 19034 4304 1 9 . 1 1 99 99 TYR H H 99 7.625 7.625 7.341 0.284 19034 4305 1 9 . 1 1 100 100 HIS N N 100 118.065 118.065 116.587 1.478 19034 4306 1 9 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.430 -0.300 19034 4307 1 9 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.243 -2.635 19034 4308 1 9 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.219 -4.425 19034 4309 1 9 . 1 1 100 100 HIS H H 100 8.425 8.425 7.776 0.649 19034 4310 1 9 . 1 1 101 101 ARG N N 101 116.756 116.756 119.815 -3.059 19034 4311 1 9 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.529 -0.428 19034 4312 1 9 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.791 -1.150 19034 4313 1 9 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.142 -3.033 19034 4314 1 9 . 1 1 101 101 ARG H H 101 7.406 7.406 7.688 -0.282 19034 4315 1 9 . 1 1 102 102 ARG N N 102 115.254 115.254 119.670 -4.416 19034 4316 1 9 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.590 -1.290 19034 4317 1 9 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.933 -1.347 19034 4318 1 9 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.800 -4.716 19034 4319 1 9 . 1 1 102 102 ARG H H 102 7.297 7.297 8.389 -1.092 19034 4320 1 9 . 1 1 103 103 ASP N N 103 119.588 119.588 121.707 -2.119 19034 4321 1 9 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.417 -0.071 19034 4322 1 9 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.203 -3.622 19034 4323 1 9 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.309 -2.560 19034 4324 1 9 . 1 1 103 103 ASP H H 103 7.467 7.467 7.054 0.413 19034 4325 1 9 . 1 1 104 104 PHE N N 104 120.438 120.438 120.660 -0.222 19034 4326 1 9 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.828 -0.488 19034 4327 1 9 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.675 -3.974 19034 4328 1 9 . 1 1 104 104 PHE CB C 104 36.842 36.842 40.503 -3.661 19034 4329 1 9 . 1 1 104 104 PHE H H 104 7.138 7.138 7.188 -0.050 19034 4330 1 10 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.544 -2.087 19034 4331 1 10 . 1 1 3 3 HIS N N 3 118.891 118.891 117.497 1.394 19034 4332 1 10 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.847 -0.014 19034 4333 1 10 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.129 -2.611 19034 4334 1 10 . 1 1 3 3 HIS CB C 3 26.412 26.412 30.562 -4.150 19034 4335 1 10 . 1 1 3 3 HIS H H 3 8.079 8.079 8.463 -0.384 19034 4336 1 10 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.828 -1.812 19034 4337 1 10 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.575 -2.608 19034 4338 1 10 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.090 -2.152 19034 4339 1 10 . 1 1 5 5 THR N N 5 113.236 113.236 112.757 0.479 19034 4340 1 10 . 1 1 5 5 THR HA H 5 4.430 4.430 4.515 -0.085 19034 4341 1 10 . 1 1 5 5 THR CA C 5 56.748 56.748 59.492 -2.744 19034 4342 1 10 . 1 1 5 5 THR CB C 5 69.859 69.859 71.238 -1.379 19034 4343 1 10 . 1 1 5 5 THR H H 5 6.242 6.242 7.738 -1.496 19034 4344 1 10 . 1 1 6 6 GLU N N 6 114.417 114.417 118.757 -4.340 19034 4345 1 10 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.393 -0.218 19034 4346 1 10 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.298 -1.874 19034 4347 1 10 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.032 -2.903 19034 4348 1 10 . 1 1 6 6 GLU H H 6 10.185 10.185 8.736 1.449 19034 4349 1 10 . 1 1 7 7 VAL N N 7 119.290 119.290 118.662 0.628 19034 4350 1 10 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.893 0.145 19034 4351 1 10 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.727 -2.451 19034 4352 1 10 . 1 1 7 7 VAL CB C 7 30.522 30.522 34.952 -4.430 19034 4353 1 10 . 1 1 7 7 VAL H H 7 8.270 8.270 7.415 0.855 19034 4354 1 10 . 1 1 8 8 LEU N N 8 130.138 130.138 123.475 6.663 19034 4355 1 10 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.195 -0.554 19034 4356 1 10 . 1 1 8 8 LEU CA C 8 49.788 49.788 52.967 -3.179 19034 4357 1 10 . 1 1 8 8 LEU CB C 8 43.885 43.885 47.280 -3.395 19034 4358 1 10 . 1 1 8 8 LEU H H 8 9.316 9.316 9.104 0.212 19034 4359 1 10 . 1 1 9 9 CYS N N 9 123.769 123.769 121.351 2.418 19034 4360 1 10 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.466 0.573 19034 4361 1 10 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.687 -3.439 19034 4362 1 10 . 1 1 9 9 CYS CB C 9 26.228 26.228 27.265 -1.037 19034 4363 1 10 . 1 1 9 9 CYS H H 9 8.902 8.902 8.907 -0.005 19034 4364 1 10 . 1 1 10 10 LEU N N 10 127.313 127.313 129.265 -1.952 19034 4365 1 10 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.788 -0.204 19034 4366 1 10 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.763 -2.395 19034 4367 1 10 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.264 -2.555 19034 4368 1 10 . 1 1 10 10 LEU H H 10 9.203 9.203 8.739 0.464 19034 4369 1 10 . 1 1 11 11 MET N N 11 124.158 124.158 117.558 6.600 19034 4370 1 10 . 1 1 11 11 MET HA H 11 4.481 4.481 4.865 -0.384 19034 4371 1 10 . 1 1 11 11 MET CA C 11 52.655 52.655 54.859 -2.204 19034 4372 1 10 . 1 1 11 11 MET CB C 11 33.156 33.156 36.782 -3.626 19034 4373 1 10 . 1 1 11 11 MET H H 11 9.161 9.161 7.663 1.498 19034 4374 1 10 . 1 1 12 12 ASN N N 12 114.067 114.067 114.422 -0.355 19034 4375 1 10 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.302 -0.021 19034 4376 1 10 . 1 1 12 12 ASN CA C 12 51.685 51.685 55.124 -3.439 19034 4377 1 10 . 1 1 12 12 ASN CB C 12 35.314 35.314 37.130 -1.816 19034 4378 1 10 . 1 1 12 12 ASN H H 12 8.842 8.842 9.013 -0.171 19034 4379 1 10 . 1 1 13 13 MET N N 13 118.202 118.202 117.935 0.267 19034 4380 1 10 . 1 1 13 13 MET HA H 13 3.952 3.952 4.198 -0.246 19034 4381 1 10 . 1 1 13 13 MET CA C 13 55.132 55.132 58.554 -3.422 19034 4382 1 10 . 1 1 13 13 MET CB C 13 31.944 31.944 33.824 -1.880 19034 4383 1 10 . 1 1 13 13 MET H H 13 8.519 8.519 8.092 0.427 19034 4384 1 10 . 1 1 14 14 VAL N N 14 110.436 110.436 110.141 0.295 19034 4385 1 10 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.578 -0.126 19034 4386 1 10 . 1 1 14 14 VAL CA C 14 55.821 55.821 58.832 -3.011 19034 4387 1 10 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.281 -1.527 19034 4388 1 10 . 1 1 14 14 VAL H H 14 6.949 6.949 7.445 -0.496 19034 4389 1 10 . 1 1 15 15 LEU N N 15 123.248 123.248 122.187 1.061 19034 4390 1 10 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.656 0.123 19034 4391 1 10 . 1 1 15 15 LEU CA C 15 48.881 48.881 52.725 -3.844 19034 4392 1 10 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.328 -1.828 19034 4393 1 10 . 1 1 15 15 LEU H H 15 8.346 8.346 8.765 -0.419 19034 4394 1 10 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.392 -0.509 19034 4395 1 10 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.030 -7.924 19034 4396 1 10 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.870 -2.357 19034 4397 1 10 . 1 1 17 17 GLU N N 17 119.496 119.496 115.233 4.263 19034 4398 1 10 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.523 -0.412 19034 4399 1 10 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.197 -1.702 19034 4400 1 10 . 1 1 17 17 GLU CB C 17 26.888 26.888 28.839 -1.951 19034 4401 1 10 . 1 1 17 17 GLU H H 17 7.754 7.754 8.329 -0.575 19034 4402 1 10 . 1 1 18 18 GLU N N 18 112.697 112.697 119.130 -6.433 19034 4403 1 10 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.489 -0.511 19034 4404 1 10 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.895 0.390 19034 4405 1 10 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.752 -4.676 19034 4406 1 10 . 1 1 18 18 GLU H H 18 8.975 8.975 7.968 1.007 19034 4407 1 10 . 1 1 19 19 LEU N N 19 113.096 113.096 122.130 -9.034 19034 4408 1 10 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.714 -0.295 19034 4409 1 10 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.245 -3.296 19034 4410 1 10 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.258 -1.915 19034 4411 1 10 . 1 1 19 19 LEU H H 19 7.266 7.266 7.879 -0.613 19034 4412 1 10 . 1 1 20 20 LEU N N 20 119.130 119.130 120.170 -1.040 19034 4413 1 10 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.610 -0.572 19034 4414 1 10 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.890 -0.888 19034 4415 1 10 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.861 -2.595 19034 4416 1 10 . 1 1 20 20 LEU H H 20 7.102 7.102 8.138 -1.036 19034 4417 1 10 . 1 1 21 21 ASP N N 21 120.713 120.713 122.831 -2.118 19034 4418 1 10 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.640 -0.033 19034 4419 1 10 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.971 -4.165 19034 4420 1 10 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.663 -0.096 19034 4421 1 10 . 1 1 21 21 ASP H H 21 8.071 8.071 8.377 -0.306 19034 4422 1 10 . 1 1 22 22 ASP N N 22 126.353 126.353 125.167 1.186 19034 4423 1 10 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.283 -0.041 19034 4424 1 10 . 1 1 22 22 ASP CA C 22 55.650 55.650 57.044 -1.394 19034 4425 1 10 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.003 -2.920 19034 4426 1 10 . 1 1 22 22 ASP H H 22 8.835 8.835 8.763 0.072 19034 4427 1 10 . 1 1 23 23 GLU N N 23 119.623 119.623 119.290 0.333 19034 4428 1 10 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.235 -0.169 19034 4429 1 10 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.417 -1.577 19034 4430 1 10 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.447 -3.035 19034 4431 1 10 . 1 1 23 23 GLU H H 23 8.177 8.177 8.360 -0.183 19034 4432 1 10 . 1 1 24 24 GLU N N 24 121.959 121.959 121.500 0.459 19034 4433 1 10 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.326 -0.330 19034 4434 1 10 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.883 -2.522 19034 4435 1 10 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.064 -2.607 19034 4436 1 10 . 1 1 24 24 GLU H H 24 8.218 8.218 8.583 -0.365 19034 4437 1 10 . 1 1 25 25 TYR N N 25 119.522 119.522 120.765 -1.243 19034 4438 1 10 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.057 -0.106 19034 4439 1 10 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.919 -2.272 19034 4440 1 10 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.463 -2.458 19034 4441 1 10 . 1 1 25 25 TYR H H 25 8.694 8.694 8.029 0.665 19034 4442 1 10 . 1 1 26 26 GLU N N 26 116.410 116.410 117.408 -0.998 19034 4443 1 10 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.162 -0.460 19034 4444 1 10 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.103 -2.774 19034 4445 1 10 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.387 -3.209 19034 4446 1 10 . 1 1 26 26 GLU H H 26 7.852 7.852 7.940 -0.088 19034 4447 1 10 . 1 1 27 27 GLU N N 27 118.895 118.895 119.950 -1.055 19034 4448 1 10 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.032 -0.111 19034 4449 1 10 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.339 -2.894 19034 4450 1 10 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.582 -3.342 19034 4451 1 10 . 1 1 27 27 GLU H H 27 7.555 7.555 7.573 -0.018 19034 4452 1 10 . 1 1 28 28 ILE N N 28 121.720 121.720 119.634 2.086 19034 4453 1 10 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.633 0.009 19034 4454 1 10 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.871 -2.517 19034 4455 1 10 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.873 -2.807 19034 4456 1 10 . 1 1 28 28 ILE H H 28 7.918 7.918 8.037 -0.119 19034 4457 1 10 . 1 1 29 29 VAL N N 29 119.336 119.336 119.752 -0.416 19034 4458 1 10 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.476 -0.441 19034 4459 1 10 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.784 -2.177 19034 4460 1 10 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.811 -1.747 19034 4461 1 10 . 1 1 29 29 VAL H H 29 7.832 7.832 7.386 0.446 19034 4462 1 10 . 1 1 30 30 GLU N N 30 116.291 116.291 119.229 -2.938 19034 4463 1 10 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.997 -0.120 19034 4464 1 10 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.577 -3.516 19034 4465 1 10 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.150 -3.039 19034 4466 1 10 . 1 1 30 30 GLU H H 30 7.405 7.405 7.712 -0.307 19034 4467 1 10 . 1 1 31 31 ASP N N 31 120.811 120.811 120.267 0.544 19034 4468 1 10 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.395 -0.021 19034 4469 1 10 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.076 -2.544 19034 4470 1 10 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.729 -3.444 19034 4471 1 10 . 1 1 31 31 ASP H H 31 8.471 8.471 7.589 0.882 19034 4472 1 10 . 1 1 32 32 VAL N N 32 121.006 121.006 119.116 1.890 19034 4473 1 10 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.604 -0.193 19034 4474 1 10 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.368 -1.153 19034 4475 1 10 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.255 -2.710 19034 4476 1 10 . 1 1 32 32 VAL H H 32 8.655 8.655 7.781 0.874 19034 4477 1 10 . 1 1 33 33 ARG N N 33 122.143 122.143 121.149 0.994 19034 4478 1 10 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.917 -0.424 19034 4479 1 10 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.667 -1.236 19034 4480 1 10 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.710 -2.478 19034 4481 1 10 . 1 1 33 33 ARG H H 33 8.507 8.507 8.240 0.267 19034 4482 1 10 . 1 1 34 34 ASP N N 34 120.971 120.971 117.507 3.464 19034 4483 1 10 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.399 -0.143 19034 4484 1 10 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.096 -1.996 19034 4485 1 10 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.876 -2.800 19034 4486 1 10 . 1 1 34 34 ASP H H 34 8.633 8.633 7.634 0.999 19034 4487 1 10 . 1 1 35 35 GLU N N 35 119.918 119.918 118.203 1.715 19034 4488 1 10 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.202 -0.138 19034 4489 1 10 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.658 -2.227 19034 4490 1 10 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.942 -3.082 19034 4491 1 10 . 1 1 35 35 GLU H H 35 8.184 8.184 7.738 0.446 19034 4492 1 10 . 1 1 36 36 CYS N N 36 114.288 114.288 118.861 -4.573 19034 4493 1 10 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.519 -0.145 19034 4494 1 10 . 1 1 36 36 CYS CA C 36 62.543 62.543 62.061 0.482 19034 4495 1 10 . 1 1 36 36 CYS CB C 36 24.910 24.910 26.389 -1.479 19034 4496 1 10 . 1 1 36 36 CYS H H 36 8.584 8.584 8.414 0.170 19034 4497 1 10 . 1 1 37 37 SER N N 37 114.987 114.987 117.123 -2.136 19034 4498 1 10 . 1 1 37 37 SER HA H 37 5.135 5.135 4.560 0.575 19034 4499 1 10 . 1 1 37 37 SER CA C 37 58.124 58.124 60.813 -2.689 19034 4500 1 10 . 1 1 37 37 SER CB C 37 60.481 60.481 62.731 -2.250 19034 4501 1 10 . 1 1 37 37 SER H H 37 8.164 8.164 8.200 -0.036 19034 4502 1 10 . 1 1 38 38 LYS N N 38 119.574 119.574 121.963 -2.389 19034 4503 1 10 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.056 -0.252 19034 4504 1 10 . 1 1 38 38 LYS CA C 38 55.490 55.490 59.041 -3.551 19034 4505 1 10 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.490 -3.119 19034 4506 1 10 . 1 1 38 38 LYS H H 38 7.111 7.111 7.986 -0.875 19034 4507 1 10 . 1 1 39 39 TYR N N 39 116.372 116.372 116.250 0.122 19034 4508 1 10 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.500 -0.196 19034 4509 1 10 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.186 -2.262 19034 4510 1 10 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.253 -2.131 19034 4511 1 10 . 1 1 39 39 TYR H H 39 7.576 7.576 7.914 -0.338 19034 4512 1 10 . 1 1 40 40 GLY N N 40 103.718 103.718 105.251 -1.533 19034 4513 1 10 . 1 1 40 40 GLY CA C 40 42.186 42.186 44.699 -2.513 19034 4514 1 10 . 1 1 40 40 GLY H H 40 7.380 7.380 7.392 -0.012 19034 4515 1 10 . 1 1 41 41 LEU N N 41 118.877 118.877 122.289 -3.412 19034 4516 1 10 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.921 -0.589 19034 4517 1 10 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.103 -0.033 19034 4518 1 10 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.552 -5.593 19034 4519 1 10 . 1 1 41 41 LEU H H 41 8.260 8.260 8.341 -0.081 19034 4520 1 10 . 1 1 42 42 VAL N N 42 127.032 127.032 125.589 1.443 19034 4521 1 10 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.055 0.452 19034 4522 1 10 . 1 1 42 42 VAL CA C 42 59.948 59.948 61.352 -1.404 19034 4523 1 10 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.725 -2.723 19034 4524 1 10 . 1 1 42 42 VAL H H 42 8.598 8.598 8.421 0.177 19034 4525 1 10 . 1 1 43 43 LYS N N 43 130.977 130.977 126.725 4.252 19034 4526 1 10 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.572 -0.446 19034 4527 1 10 . 1 1 43 43 LYS CA C 43 55.022 55.022 56.707 -1.685 19034 4528 1 10 . 1 1 43 43 LYS CB C 43 32.093 32.093 34.227 -2.134 19034 4529 1 10 . 1 1 43 43 LYS H H 43 9.307 9.307 8.933 0.374 19034 4530 1 10 . 1 1 44 44 SER N N 44 110.453 110.453 112.098 -1.645 19034 4531 1 10 . 1 1 44 44 SER HA H 44 4.492 4.492 4.747 -0.255 19034 4532 1 10 . 1 1 44 44 SER CA C 44 55.890 55.890 57.826 -1.936 19034 4533 1 10 . 1 1 44 44 SER CB C 44 62.940 62.940 66.563 -3.623 19034 4534 1 10 . 1 1 44 44 SER H H 44 7.938 7.938 7.549 0.389 19034 4535 1 10 . 1 1 45 45 ILE N N 45 118.542 118.542 122.109 -3.567 19034 4536 1 10 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.880 0.170 19034 4537 1 10 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.430 -2.899 19034 4538 1 10 . 1 1 45 45 ILE CB C 45 40.320 40.320 40.523 -0.203 19034 4539 1 10 . 1 1 45 45 ILE H H 45 8.136 8.136 8.482 -0.346 19034 4540 1 10 . 1 1 46 46 GLU N N 46 125.456 125.456 127.844 -2.388 19034 4541 1 10 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.702 -0.002 19034 4542 1 10 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.529 -2.062 19034 4543 1 10 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.818 -1.055 19034 4544 1 10 . 1 1 46 46 GLU H H 46 9.364 9.364 9.241 0.123 19034 4545 1 10 . 1 1 47 47 ILE N N 47 122.471 122.471 125.751 -3.280 19034 4546 1 10 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.708 -0.003 19034 4547 1 10 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.472 -2.137 19034 4548 1 10 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.642 -2.854 19034 4549 1 10 . 1 1 47 47 ILE H H 47 8.672 8.672 8.099 0.573 19034 4550 1 10 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.855 -1.979 19034 4551 1 10 . 1 1 49 49 ARG N N 49 120.907 120.907 121.465 -0.558 19034 4552 1 10 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.846 -0.139 19034 4553 1 10 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.114 -0.187 19034 4554 1 10 . 1 1 49 49 ARG H H 49 7.944 7.944 8.306 -0.362 19034 4555 1 10 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.559 -0.167 19034 4556 1 10 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.391 -1.763 19034 4557 1 10 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.354 -2.728 19034 4558 1 10 . 1 1 51 51 VAL N N 51 121.425 121.425 122.433 -1.008 19034 4559 1 10 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.165 -0.178 19034 4560 1 10 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.638 -2.781 19034 4561 1 10 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.980 0.258 19034 4562 1 10 . 1 1 51 51 VAL H H 51 7.992 7.992 8.501 -0.509 19034 4563 1 10 . 1 1 52 52 ASP N N 52 127.160 127.160 129.310 -2.150 19034 4564 1 10 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.273 -0.036 19034 4565 1 10 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.178 -1.890 19034 4566 1 10 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.375 -2.425 19034 4567 1 10 . 1 1 52 52 ASP H H 52 8.746 8.746 9.253 -0.507 19034 4568 1 10 . 1 1 53 53 GLY N N 53 108.483 108.483 104.134 4.349 19034 4569 1 10 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.889 -1.915 19034 4570 1 10 . 1 1 53 53 GLY H H 53 8.589 8.589 8.352 0.237 19034 4571 1 10 . 1 1 54 54 VAL N N 54 120.874 120.874 123.069 -2.195 19034 4572 1 10 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.277 -0.118 19034 4573 1 10 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.995 -2.506 19034 4574 1 10 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.788 -0.756 19034 4575 1 10 . 1 1 54 54 VAL H H 54 7.804 7.804 7.877 -0.073 19034 4576 1 10 . 1 1 55 55 GLU N N 55 126.140 126.140 126.949 -0.809 19034 4577 1 10 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.170 0.003 19034 4578 1 10 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.516 -2.820 19034 4579 1 10 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.075 -3.315 19034 4580 1 10 . 1 1 55 55 GLU H H 55 8.578 8.578 8.558 0.020 19034 4581 1 10 . 1 1 56 56 VAL N N 56 124.648 124.648 117.311 7.337 19034 4582 1 10 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.515 -0.160 19034 4583 1 10 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.491 -1.421 19034 4584 1 10 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.801 -2.995 19034 4585 1 10 . 1 1 56 56 VAL H H 56 7.661 7.661 8.418 -0.757 19034 4586 1 10 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.539 -0.422 19034 4587 1 10 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.950 -2.709 19034 4588 1 10 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.128 -1.883 19034 4589 1 10 . 1 1 58 58 GLY N N 58 109.755 109.755 111.568 -1.813 19034 4590 1 10 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.793 -1.946 19034 4591 1 10 . 1 1 58 58 GLY H H 58 8.577 8.577 8.469 0.108 19034 4592 1 10 . 1 1 59 59 CYS N N 59 118.400 118.400 120.891 -2.491 19034 4593 1 10 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.207 -0.152 19034 4594 1 10 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.434 -2.110 19034 4595 1 10 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.240 -4.062 19034 4596 1 10 . 1 1 59 59 CYS H H 59 7.631 7.631 7.916 -0.285 19034 4597 1 10 . 1 1 60 60 GLY N N 60 119.002 119.002 116.074 2.928 19034 4598 1 10 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.534 -3.395 19034 4599 1 10 . 1 1 60 60 GLY H H 60 10.447 10.447 9.195 1.252 19034 4600 1 10 . 1 1 61 61 LYS N N 61 122.250 122.250 120.160 2.090 19034 4601 1 10 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.719 -0.388 19034 4602 1 10 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.903 -1.959 19034 4603 1 10 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.444 -0.271 19034 4604 1 10 . 1 1 61 61 LYS H H 61 8.233 8.233 7.380 0.853 19034 4605 1 10 . 1 1 62 62 ILE N N 62 118.312 118.312 125.796 -7.484 19034 4606 1 10 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.496 -0.200 19034 4607 1 10 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.748 -2.362 19034 4608 1 10 . 1 1 62 62 ILE CB C 62 39.003 39.003 39.116 -0.113 19034 4609 1 10 . 1 1 62 62 ILE H H 62 7.272 7.272 8.623 -1.351 19034 4610 1 10 . 1 1 63 63 PHE N N 63 125.445 125.445 127.425 -1.980 19034 4611 1 10 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.186 0.114 19034 4612 1 10 . 1 1 63 63 PHE CA C 63 53.494 53.494 57.220 -3.726 19034 4613 1 10 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.015 -1.224 19034 4614 1 10 . 1 1 63 63 PHE H H 63 8.876 8.876 8.543 0.333 19034 4615 1 10 . 1 1 64 64 VAL N N 64 122.504 122.504 120.994 1.510 19034 4616 1 10 . 1 1 64 64 VAL HA H 64 4.320 4.320 5.103 -0.783 19034 4617 1 10 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.977 -1.448 19034 4618 1 10 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.263 -3.692 19034 4619 1 10 . 1 1 64 64 VAL H H 64 9.161 9.161 8.809 0.352 19034 4620 1 10 . 1 1 65 65 GLU N N 65 127.687 127.687 127.536 0.151 19034 4621 1 10 . 1 1 65 65 GLU HA H 65 4.677 4.677 5.372 -0.695 19034 4622 1 10 . 1 1 65 65 GLU CA C 65 51.445 51.445 53.645 -2.200 19034 4623 1 10 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.492 -4.934 19034 4624 1 10 . 1 1 65 65 GLU H H 65 8.601 8.601 8.754 -0.153 19034 4625 1 10 . 1 1 66 66 PHE N N 66 126.672 126.672 121.802 4.870 19034 4626 1 10 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.248 -0.155 19034 4627 1 10 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.718 -1.533 19034 4628 1 10 . 1 1 66 66 PHE CB C 66 39.141 39.141 43.140 -3.999 19034 4629 1 10 . 1 1 66 66 PHE H H 66 9.352 9.352 9.006 0.346 19034 4630 1 10 . 1 1 67 67 THR N N 67 109.616 109.616 112.681 -3.065 19034 4631 1 10 . 1 1 67 67 THR HA H 67 4.248 4.248 4.257 -0.009 19034 4632 1 10 . 1 1 67 67 THR CA C 67 60.963 60.963 63.661 -2.698 19034 4633 1 10 . 1 1 67 67 THR CB C 67 66.974 66.974 69.530 -2.556 19034 4634 1 10 . 1 1 67 67 THR H H 67 9.072 9.072 8.983 0.089 19034 4635 1 10 . 1 1 68 68 SER N N 68 111.776 111.776 112.561 -0.785 19034 4636 1 10 . 1 1 68 68 SER HA H 68 4.922 4.922 4.640 0.282 19034 4637 1 10 . 1 1 68 68 SER CA C 68 53.411 53.411 57.584 -4.173 19034 4638 1 10 . 1 1 68 68 SER CB C 68 63.507 63.507 64.681 -1.174 19034 4639 1 10 . 1 1 68 68 SER H H 68 7.511 7.511 7.474 0.037 19034 4640 1 10 . 1 1 69 69 VAL N N 69 123.476 123.476 124.276 -0.800 19034 4641 1 10 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.919 -0.514 19034 4642 1 10 . 1 1 69 69 VAL CA C 69 62.588 62.588 66.075 -3.487 19034 4643 1 10 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.802 -2.924 19034 4644 1 10 . 1 1 69 69 VAL H H 69 8.854 8.854 9.015 -0.161 19034 4645 1 10 . 1 1 70 70 PHE N N 70 119.530 119.530 118.946 0.584 19034 4646 1 10 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.132 0.097 19034 4647 1 10 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.776 -4.874 19034 4648 1 10 . 1 1 70 70 PHE CB C 70 36.263 36.263 37.772 -1.509 19034 4649 1 10 . 1 1 70 70 PHE H H 70 7.673 7.673 7.865 -0.192 19034 4650 1 10 . 1 1 71 71 ASP N N 71 120.024 120.024 119.838 0.186 19034 4651 1 10 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.450 -0.274 19034 4652 1 10 . 1 1 71 71 ASP CA C 71 54.306 54.306 58.693 -4.387 19034 4653 1 10 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.418 -2.551 19034 4654 1 10 . 1 1 71 71 ASP H H 71 7.585 7.585 8.728 -1.143 19034 4655 1 10 . 1 1 72 72 CYS N N 72 119.689 119.689 118.839 0.850 19034 4656 1 10 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.859 -0.063 19034 4657 1 10 . 1 1 72 72 CYS CA C 72 57.147 57.147 63.620 -6.473 19034 4658 1 10 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.524 -2.175 19034 4659 1 10 . 1 1 72 72 CYS H H 72 7.087 7.087 7.758 -0.671 19034 4660 1 10 . 1 1 73 73 GLN N N 73 117.350 117.350 119.454 -2.104 19034 4661 1 10 . 1 1 73 73 GLN HA H 73 4.406 4.406 3.988 0.418 19034 4662 1 10 . 1 1 73 73 GLN CA C 73 56.361 56.361 59.299 -2.938 19034 4663 1 10 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.756 -1.873 19034 4664 1 10 . 1 1 73 73 GLN H H 73 8.478 8.478 8.149 0.329 19034 4665 1 10 . 1 1 74 74 LYS N N 74 119.692 119.692 118.468 1.224 19034 4666 1 10 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.049 -0.275 19034 4667 1 10 . 1 1 74 74 LYS CA C 74 56.827 56.827 59.372 -2.545 19034 4668 1 10 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.380 -2.877 19034 4669 1 10 . 1 1 74 74 LYS H H 74 7.468 7.468 7.805 -0.337 19034 4670 1 10 . 1 1 75 75 ALA N N 75 124.287 124.287 121.109 3.178 19034 4671 1 10 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.611 -1.016 19034 4672 1 10 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.583 -2.887 19034 4673 1 10 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.239 -1.148 19034 4674 1 10 . 1 1 75 75 ALA H H 75 7.549 7.549 7.586 -0.037 19034 4675 1 10 . 1 1 76 76 MET N N 76 118.919 118.919 118.856 0.063 19034 4676 1 10 . 1 1 76 76 MET HA H 76 3.490 3.490 3.855 -0.365 19034 4677 1 10 . 1 1 76 76 MET CA C 76 56.956 56.956 58.282 -1.326 19034 4678 1 10 . 1 1 76 76 MET CB C 76 28.966 28.966 31.703 -2.737 19034 4679 1 10 . 1 1 76 76 MET H H 76 8.700 8.700 8.097 0.603 19034 4680 1 10 . 1 1 77 77 GLN N N 77 118.282 118.282 117.176 1.106 19034 4681 1 10 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.035 -0.179 19034 4682 1 10 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.840 -2.140 19034 4683 1 10 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.250 -2.469 19034 4684 1 10 . 1 1 77 77 GLN H H 77 7.798 7.798 7.634 0.164 19034 4685 1 10 . 1 1 78 78 GLY N N 78 106.137 106.137 106.874 -0.737 19034 4686 1 10 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.074 -2.326 19034 4687 1 10 . 1 1 78 78 GLY H H 78 7.797 7.797 7.865 -0.068 19034 4688 1 10 . 1 1 79 79 LEU N N 79 118.753 118.753 117.117 1.636 19034 4689 1 10 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.453 -0.263 19034 4690 1 10 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.784 -0.521 19034 4691 1 10 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.911 -1.997 19034 4692 1 10 . 1 1 79 79 LEU H H 79 8.039 8.039 7.220 0.819 19034 4693 1 10 . 1 1 80 80 THR N N 80 114.360 114.360 116.118 -1.758 19034 4694 1 10 . 1 1 80 80 THR HA H 80 3.550 3.550 4.115 -0.565 19034 4695 1 10 . 1 1 80 80 THR CA C 80 63.539 63.539 65.138 -1.599 19034 4696 1 10 . 1 1 80 80 THR CB C 80 66.102 66.102 69.142 -3.040 19034 4697 1 10 . 1 1 80 80 THR H H 80 7.177 7.177 7.808 -0.631 19034 4698 1 10 . 1 1 81 81 GLY N N 81 115.554 115.554 117.339 -1.785 19034 4699 1 10 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.316 -2.324 19034 4700 1 10 . 1 1 81 81 GLY H H 81 8.680 8.680 8.804 -0.124 19034 4701 1 10 . 1 1 82 82 ARG N N 82 120.945 120.945 121.440 -0.495 19034 4702 1 10 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.445 -0.352 19034 4703 1 10 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.946 -2.500 19034 4704 1 10 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.678 -3.530 19034 4705 1 10 . 1 1 82 82 ARG H H 82 7.520 7.520 7.653 -0.133 19034 4706 1 10 . 1 1 83 83 LYS N N 83 121.584 121.584 119.256 2.328 19034 4707 1 10 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.118 -0.110 19034 4708 1 10 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.592 -2.870 19034 4709 1 10 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.195 -2.605 19034 4710 1 10 . 1 1 83 83 LYS H H 83 8.165 8.165 8.369 -0.204 19034 4711 1 10 . 1 1 84 84 PHE N N 84 125.104 125.104 123.002 2.102 19034 4712 1 10 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.640 -0.203 19034 4713 1 10 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.121 -2.348 19034 4714 1 10 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.197 -0.110 19034 4715 1 10 . 1 1 84 84 PHE H H 84 8.656 8.656 9.091 -0.435 19034 4716 1 10 . 1 1 85 85 ALA N N 85 127.849 127.849 122.834 5.015 19034 4717 1 10 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.500 -0.732 19034 4718 1 10 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.879 -1.831 19034 4719 1 10 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.717 -5.596 19034 4720 1 10 . 1 1 85 85 ALA H H 85 8.831 8.831 8.011 0.820 19034 4721 1 10 . 1 1 86 86 ASN N N 86 113.065 113.065 117.067 -4.002 19034 4722 1 10 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.905 -0.546 19034 4723 1 10 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.495 -2.086 19034 4724 1 10 . 1 1 86 86 ASN CB C 86 35.722 35.722 41.085 -5.363 19034 4725 1 10 . 1 1 86 86 ASN H H 86 8.406 8.406 8.674 -0.268 19034 4726 1 10 . 1 1 87 87 ARG N N 87 121.167 121.167 119.170 1.997 19034 4727 1 10 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.665 -0.144 19034 4728 1 10 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.567 -1.781 19034 4729 1 10 . 1 1 87 87 ARG CB C 87 29.880 29.880 33.064 -3.184 19034 4730 1 10 . 1 1 87 87 ARG H H 87 8.250 8.250 8.105 0.145 19034 4731 1 10 . 1 1 88 88 VAL N N 88 121.437 121.437 122.797 -1.360 19034 4732 1 10 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.220 0.054 19034 4733 1 10 . 1 1 88 88 VAL CA C 88 59.281 59.281 63.119 -3.838 19034 4734 1 10 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.444 -2.154 19034 4735 1 10 . 1 1 88 88 VAL H H 88 8.279 8.279 8.464 -0.185 19034 4736 1 10 . 1 1 89 89 VAL N N 89 127.754 127.754 131.597 -3.843 19034 4737 1 10 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.052 0.060 19034 4738 1 10 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.252 0.879 19034 4739 1 10 . 1 1 89 89 VAL CB C 89 30.108 30.108 30.412 -0.304 19034 4740 1 10 . 1 1 89 89 VAL H H 89 8.601 8.601 8.963 -0.362 19034 4741 1 10 . 1 1 90 90 VAL N N 90 127.874 127.874 124.859 3.015 19034 4742 1 10 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.205 0.116 19034 4743 1 10 . 1 1 90 90 VAL CA C 90 58.489 58.489 61.445 -2.956 19034 4744 1 10 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.125 0.221 19034 4745 1 10 . 1 1 90 90 VAL H H 90 7.866 7.866 7.712 0.154 19034 4746 1 10 . 1 1 91 91 THR N N 91 114.187 114.187 116.016 -1.829 19034 4747 1 10 . 1 1 91 91 THR HA H 91 5.528 5.528 4.796 0.732 19034 4748 1 10 . 1 1 91 91 THR CA C 91 56.193 56.193 60.289 -4.096 19034 4749 1 10 . 1 1 91 91 THR CB C 91 69.553 69.553 70.995 -1.442 19034 4750 1 10 . 1 1 91 91 THR H H 91 8.119 8.119 7.779 0.340 19034 4751 1 10 . 1 1 92 92 LYS N N 92 116.111 116.111 120.570 -4.459 19034 4752 1 10 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.468 -0.122 19034 4753 1 10 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.100 -2.446 19034 4754 1 10 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.077 -3.190 19034 4755 1 10 . 1 1 92 92 LYS H H 92 8.199 8.199 7.947 0.252 19034 4756 1 10 . 1 1 93 93 TYR N N 93 121.017 121.017 119.718 1.299 19034 4757 1 10 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.457 0.503 19034 4758 1 10 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.422 -3.012 19034 4759 1 10 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.180 -2.640 19034 4760 1 10 . 1 1 93 93 TYR H H 93 8.450 8.450 8.370 0.080 19034 4761 1 10 . 1 1 94 94 CYS N N 94 119.566 119.566 117.981 1.585 19034 4762 1 10 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.963 -0.151 19034 4763 1 10 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.649 -2.648 19034 4764 1 10 . 1 1 94 94 CYS CB C 94 27.586 27.586 32.052 -4.466 19034 4765 1 10 . 1 1 94 94 CYS H H 94 8.614 8.614 8.611 0.003 19034 4766 1 10 . 1 1 95 95 ASP N N 95 128.707 128.707 120.387 8.320 19034 4767 1 10 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.969 -0.132 19034 4768 1 10 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.285 -2.275 19034 4769 1 10 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.554 -2.838 19034 4770 1 10 . 1 1 95 95 ASP H H 95 8.969 8.969 8.975 -0.006 19034 4771 1 10 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.135 -2.400 19034 4772 1 10 . 1 1 97 97 ASP N N 97 118.102 118.102 117.906 0.196 19034 4773 1 10 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.477 -0.048 19034 4774 1 10 . 1 1 97 97 ASP CA C 97 55.041 55.041 56.887 -1.846 19034 4775 1 10 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.689 -2.930 19034 4776 1 10 . 1 1 97 97 ASP H H 97 8.189 8.189 8.662 -0.473 19034 4777 1 10 . 1 1 98 98 SER N N 98 116.394 116.394 113.507 2.887 19034 4778 1 10 . 1 1 98 98 SER HA H 98 3.961 3.961 4.269 -0.308 19034 4779 1 10 . 1 1 98 98 SER CA C 98 59.519 59.519 59.655 -0.136 19034 4780 1 10 . 1 1 98 98 SER H H 98 7.792 7.792 7.727 0.065 19034 4781 1 10 . 1 1 99 99 TYR N N 99 121.890 121.890 123.908 -2.018 19034 4782 1 10 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.377 -0.635 19034 4783 1 10 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.462 -1.665 19034 4784 1 10 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.853 -2.678 19034 4785 1 10 . 1 1 99 99 TYR H H 99 7.625 7.625 7.648 -0.023 19034 4786 1 10 . 1 1 100 100 HIS N N 100 118.065 118.065 115.960 2.105 19034 4787 1 10 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.388 -0.259 19034 4788 1 10 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.579 -1.971 19034 4789 1 10 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.944 -4.150 19034 4790 1 10 . 1 1 100 100 HIS H H 100 8.425 8.425 7.938 0.487 19034 4791 1 10 . 1 1 101 101 ARG N N 101 116.756 116.756 117.921 -1.165 19034 4792 1 10 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.550 -0.449 19034 4793 1 10 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.148 -0.507 19034 4794 1 10 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.151 -4.042 19034 4795 1 10 . 1 1 101 101 ARG H H 101 7.406 7.406 7.458 -0.052 19034 4796 1 10 . 1 1 102 102 ARG N N 102 115.254 115.254 119.244 -3.990 19034 4797 1 10 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.736 -1.436 19034 4798 1 10 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.909 -1.323 19034 4799 1 10 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.990 -4.906 19034 4800 1 10 . 1 1 102 102 ARG H H 102 7.297 7.297 8.420 -1.123 19034 4801 1 10 . 1 1 103 103 ASP N N 103 119.588 119.588 121.120 -1.532 19034 4802 1 10 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.255 0.091 19034 4803 1 10 . 1 1 103 103 ASP CA C 103 49.581 49.581 54.150 -4.569 19034 4804 1 10 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.302 -2.553 19034 4805 1 10 . 1 1 103 103 ASP H H 103 7.467 7.467 6.986 0.481 19034 4806 1 10 . 1 1 104 104 PHE N N 104 120.438 120.438 122.791 -2.353 19034 4807 1 10 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.883 -0.543 19034 4808 1 10 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.833 -4.132 19034 4809 1 10 . 1 1 104 104 PHE CB C 104 36.842 36.842 41.370 -4.527 19034 4810 1 10 . 1 1 104 104 PHE H H 104 7.138 7.138 7.578 -0.440 19034 4811 1 11 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.790 -2.333 19034 4812 1 11 . 1 1 3 3 HIS N N 3 118.891 118.891 118.336 0.555 19034 4813 1 11 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.746 0.087 19034 4814 1 11 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.251 -3.733 19034 4815 1 11 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.704 -3.292 19034 4816 1 11 . 1 1 3 3 HIS H H 3 8.079 8.079 8.308 -0.229 19034 4817 1 11 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.207 -1.190 19034 4818 1 11 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.325 -2.358 19034 4819 1 11 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.429 -2.491 19034 4820 1 11 . 1 1 5 5 THR N N 5 113.236 113.236 112.267 0.969 19034 4821 1 11 . 1 1 5 5 THR HA H 5 4.430 4.430 4.707 -0.277 19034 4822 1 11 . 1 1 5 5 THR CA C 5 56.748 56.748 59.551 -2.803 19034 4823 1 11 . 1 1 5 5 THR CB C 5 69.859 69.859 72.050 -2.191 19034 4824 1 11 . 1 1 5 5 THR H H 5 6.242 6.242 7.969 -1.727 19034 4825 1 11 . 1 1 6 6 GLU N N 6 114.417 114.417 119.603 -5.186 19034 4826 1 11 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.306 -0.131 19034 4827 1 11 . 1 1 6 6 GLU CA C 6 55.424 55.424 58.142 -2.718 19034 4828 1 11 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.329 -3.200 19034 4829 1 11 . 1 1 6 6 GLU H H 6 10.185 10.185 8.985 1.200 19034 4830 1 11 . 1 1 7 7 VAL N N 7 119.290 119.290 113.172 6.118 19034 4831 1 11 . 1 1 7 7 VAL HA H 7 5.038 5.038 5.030 0.008 19034 4832 1 11 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.414 -1.139 19034 4833 1 11 . 1 1 7 7 VAL CB C 7 30.522 30.522 34.988 -4.466 19034 4834 1 11 . 1 1 7 7 VAL H H 7 8.270 8.270 7.199 1.071 19034 4835 1 11 . 1 1 8 8 LEU N N 8 130.138 130.138 124.619 5.519 19034 4836 1 11 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.183 -0.542 19034 4837 1 11 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.864 -4.076 19034 4838 1 11 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.214 -2.329 19034 4839 1 11 . 1 1 8 8 LEU H H 8 9.316 9.316 8.696 0.620 19034 4840 1 11 . 1 1 9 9 CYS N N 9 123.769 123.769 126.419 -2.650 19034 4841 1 11 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.731 0.308 19034 4842 1 11 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.951 -4.703 19034 4843 1 11 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.343 -2.115 19034 4844 1 11 . 1 1 9 9 CYS H H 9 8.902 8.902 9.136 -0.234 19034 4845 1 11 . 1 1 10 10 LEU N N 10 127.313 127.313 128.921 -1.608 19034 4846 1 11 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.062 -0.478 19034 4847 1 11 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.296 -1.928 19034 4848 1 11 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.241 -2.532 19034 4849 1 11 . 1 1 10 10 LEU H H 10 9.203 9.203 8.905 0.298 19034 4850 1 11 . 1 1 11 11 MET N N 11 124.158 124.158 122.598 1.560 19034 4851 1 11 . 1 1 11 11 MET HA H 11 4.481 4.481 4.612 -0.131 19034 4852 1 11 . 1 1 11 11 MET CA C 11 52.655 52.655 55.327 -2.672 19034 4853 1 11 . 1 1 11 11 MET CB C 11 33.156 33.156 34.069 -0.913 19034 4854 1 11 . 1 1 11 11 MET H H 11 9.161 9.161 7.718 1.443 19034 4855 1 11 . 1 1 12 12 ASN N N 12 114.067 114.067 112.190 1.877 19034 4856 1 11 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.317 -0.036 19034 4857 1 11 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.600 -2.915 19034 4858 1 11 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.892 -1.578 19034 4859 1 11 . 1 1 12 12 ASN H H 12 8.842 8.842 8.992 -0.150 19034 4860 1 11 . 1 1 13 13 MET N N 13 118.202 118.202 118.484 -0.282 19034 4861 1 11 . 1 1 13 13 MET HA H 13 3.952 3.952 4.283 -0.331 19034 4862 1 11 . 1 1 13 13 MET CA C 13 55.132 55.132 58.676 -3.544 19034 4863 1 11 . 1 1 13 13 MET CB C 13 31.944 31.944 33.709 -1.764 19034 4864 1 11 . 1 1 13 13 MET H H 13 8.519 8.519 8.214 0.305 19034 4865 1 11 . 1 1 14 14 VAL N N 14 110.436 110.436 112.662 -2.226 19034 4866 1 11 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.378 0.074 19034 4867 1 11 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.363 -4.542 19034 4868 1 11 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.946 -1.192 19034 4869 1 11 . 1 1 14 14 VAL H H 14 6.949 6.949 7.893 -0.944 19034 4870 1 11 . 1 1 15 15 LEU N N 15 123.248 123.248 120.309 2.939 19034 4871 1 11 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.815 -0.036 19034 4872 1 11 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.345 -2.464 19034 4873 1 11 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.798 -2.298 19034 4874 1 11 . 1 1 15 15 LEU H H 15 8.346 8.346 8.297 0.049 19034 4875 1 11 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.333 -0.451 19034 4876 1 11 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.109 -8.004 19034 4877 1 11 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.044 -1.531 19034 4878 1 11 . 1 1 17 17 GLU N N 17 119.496 119.496 114.996 4.500 19034 4879 1 11 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.490 -0.379 19034 4880 1 11 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.664 -2.169 19034 4881 1 11 . 1 1 17 17 GLU CB C 17 26.888 26.888 30.379 -3.491 19034 4882 1 11 . 1 1 17 17 GLU H H 17 7.754 7.754 8.186 -0.432 19034 4883 1 11 . 1 1 18 18 GLU N N 18 112.697 112.697 119.032 -6.335 19034 4884 1 11 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.570 -0.592 19034 4885 1 11 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.905 0.380 19034 4886 1 11 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.433 -5.356 19034 4887 1 11 . 1 1 18 18 GLU H H 18 8.975 8.975 7.717 1.258 19034 4888 1 11 . 1 1 19 19 LEU N N 19 113.096 113.096 121.195 -8.099 19034 4889 1 11 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.338 0.081 19034 4890 1 11 . 1 1 19 19 LEU CA C 19 50.949 50.949 56.188 -5.239 19034 4891 1 11 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.240 0.102 19034 4892 1 11 . 1 1 19 19 LEU H H 19 7.266 7.266 8.528 -1.262 19034 4893 1 11 . 1 1 20 20 LEU N N 20 119.130 119.130 116.252 2.878 19034 4894 1 11 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.169 -0.131 19034 4895 1 11 . 1 1 20 20 LEU CA C 20 54.002 54.002 55.363 -1.361 19034 4896 1 11 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.285 -1.019 19034 4897 1 11 . 1 1 20 20 LEU H H 20 7.102 7.102 7.636 -0.534 19034 4898 1 11 . 1 1 21 21 ASP N N 21 120.713 120.713 119.998 0.715 19034 4899 1 11 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.685 -0.078 19034 4900 1 11 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.198 -4.392 19034 4901 1 11 . 1 1 21 21 ASP CB C 21 40.567 40.567 42.548 -1.981 19034 4902 1 11 . 1 1 21 21 ASP H H 21 8.071 8.071 7.430 0.641 19034 4903 1 11 . 1 1 22 22 ASP N N 22 126.353 126.353 123.923 2.430 19034 4904 1 11 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.533 -0.291 19034 4905 1 11 . 1 1 22 22 ASP CA C 22 55.650 55.650 55.909 -0.259 19034 4906 1 11 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.292 -3.209 19034 4907 1 11 . 1 1 22 22 ASP H H 22 8.835 8.835 8.766 0.069 19034 4908 1 11 . 1 1 23 23 GLU N N 23 119.623 119.623 119.266 0.357 19034 4909 1 11 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.237 -0.171 19034 4910 1 11 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.427 -1.587 19034 4911 1 11 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.963 -3.551 19034 4912 1 11 . 1 1 23 23 GLU H H 23 8.177 8.177 8.494 -0.317 19034 4913 1 11 . 1 1 24 24 GLU N N 24 121.959 121.959 120.836 1.123 19034 4914 1 11 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.093 -0.097 19034 4915 1 11 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.170 -2.809 19034 4916 1 11 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.331 -2.873 19034 4917 1 11 . 1 1 24 24 GLU H H 24 8.218 8.218 8.548 -0.330 19034 4918 1 11 . 1 1 25 25 TYR N N 25 119.522 119.522 118.937 0.585 19034 4919 1 11 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.158 -0.207 19034 4920 1 11 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.356 -1.709 19034 4921 1 11 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.539 -2.534 19034 4922 1 11 . 1 1 25 25 TYR H H 25 8.694 8.694 7.732 0.962 19034 4923 1 11 . 1 1 26 26 GLU N N 26 116.410 116.410 117.032 -0.622 19034 4924 1 11 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.197 -0.495 19034 4925 1 11 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.574 -2.245 19034 4926 1 11 . 1 1 26 26 GLU CB C 26 26.178 26.178 30.328 -4.150 19034 4927 1 11 . 1 1 26 26 GLU H H 26 7.852 7.852 8.023 -0.171 19034 4928 1 11 . 1 1 27 27 GLU N N 27 118.895 118.895 120.197 -1.302 19034 4929 1 11 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.037 -0.116 19034 4930 1 11 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.157 -2.712 19034 4931 1 11 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.123 -2.883 19034 4932 1 11 . 1 1 27 27 GLU H H 27 7.555 7.555 7.978 -0.423 19034 4933 1 11 . 1 1 28 28 ILE N N 28 121.720 121.720 117.357 4.363 19034 4934 1 11 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.815 -0.173 19034 4935 1 11 . 1 1 28 28 ILE CA C 28 62.355 62.355 63.940 -1.585 19034 4936 1 11 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.585 -2.519 19034 4937 1 11 . 1 1 28 28 ILE H H 28 7.918 7.918 7.631 0.287 19034 4938 1 11 . 1 1 29 29 VAL N N 29 119.336 119.336 119.296 0.040 19034 4939 1 11 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.800 -0.765 19034 4940 1 11 . 1 1 29 29 VAL CA C 29 64.607 64.607 65.319 -0.712 19034 4941 1 11 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.711 -2.647 19034 4942 1 11 . 1 1 29 29 VAL H H 29 7.832 7.832 7.479 0.353 19034 4943 1 11 . 1 1 30 30 GLU N N 30 116.291 116.291 120.557 -4.266 19034 4944 1 11 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.002 -0.125 19034 4945 1 11 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.982 -3.921 19034 4946 1 11 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.363 -3.252 19034 4947 1 11 . 1 1 30 30 GLU H H 30 7.405 7.405 8.111 -0.706 19034 4948 1 11 . 1 1 31 31 ASP N N 31 120.811 120.811 119.643 1.168 19034 4949 1 11 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.405 -0.031 19034 4950 1 11 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.418 -2.886 19034 4951 1 11 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.785 -3.500 19034 4952 1 11 . 1 1 31 31 ASP H H 31 8.471 8.471 8.649 -0.178 19034 4953 1 11 . 1 1 32 32 VAL N N 32 121.006 121.006 117.145 3.861 19034 4954 1 11 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.866 -0.455 19034 4955 1 11 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.454 -0.239 19034 4956 1 11 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.317 -2.772 19034 4957 1 11 . 1 1 32 32 VAL H H 32 8.655 8.655 7.527 1.128 19034 4958 1 11 . 1 1 33 33 ARG N N 33 122.143 122.143 121.843 0.300 19034 4959 1 11 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.907 -0.414 19034 4960 1 11 . 1 1 33 33 ARG CA C 33 58.431 58.431 60.233 -1.802 19034 4961 1 11 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.968 -2.736 19034 4962 1 11 . 1 1 33 33 ARG H H 33 8.507 8.507 7.849 0.657 19034 4963 1 11 . 1 1 34 34 ASP N N 34 120.971 120.971 118.283 2.688 19034 4964 1 11 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.347 -0.091 19034 4965 1 11 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.303 -2.203 19034 4966 1 11 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.881 -2.805 19034 4967 1 11 . 1 1 34 34 ASP H H 34 8.633 8.633 7.678 0.955 19034 4968 1 11 . 1 1 35 35 GLU N N 35 119.918 119.918 117.833 2.085 19034 4969 1 11 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.053 0.011 19034 4970 1 11 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.727 -2.296 19034 4971 1 11 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.436 -2.575 19034 4972 1 11 . 1 1 35 35 GLU H H 35 8.184 8.184 7.686 0.498 19034 4973 1 11 . 1 1 36 36 CYS N N 36 114.288 114.288 119.243 -4.955 19034 4974 1 11 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.435 -0.061 19034 4975 1 11 . 1 1 36 36 CYS CA C 36 62.543 62.543 62.024 0.519 19034 4976 1 11 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.520 -2.610 19034 4977 1 11 . 1 1 36 36 CYS H H 36 8.584 8.584 8.049 0.535 19034 4978 1 11 . 1 1 37 37 SER N N 37 114.987 114.987 117.029 -2.042 19034 4979 1 11 . 1 1 37 37 SER HA H 37 5.135 5.135 4.576 0.559 19034 4980 1 11 . 1 1 37 37 SER CA C 37 58.124 58.124 60.860 -2.736 19034 4981 1 11 . 1 1 37 37 SER CB C 37 60.481 60.481 62.964 -2.483 19034 4982 1 11 . 1 1 37 37 SER H H 37 8.164 8.164 8.173 -0.009 19034 4983 1 11 . 1 1 38 38 LYS N N 38 119.574 119.574 120.312 -0.738 19034 4984 1 11 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.972 -0.168 19034 4985 1 11 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.382 -2.892 19034 4986 1 11 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.435 -3.064 19034 4987 1 11 . 1 1 38 38 LYS H H 38 7.111 7.111 7.551 -0.440 19034 4988 1 11 . 1 1 39 39 TYR N N 39 116.372 116.372 116.153 0.219 19034 4989 1 11 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.557 -0.253 19034 4990 1 11 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.956 -2.032 19034 4991 1 11 . 1 1 39 39 TYR CB C 39 37.122 37.122 40.126 -3.004 19034 4992 1 11 . 1 1 39 39 TYR H H 39 7.576 7.576 7.807 -0.231 19034 4993 1 11 . 1 1 40 40 GLY N N 40 103.718 103.718 105.579 -1.861 19034 4994 1 11 . 1 1 40 40 GLY CA C 40 42.186 42.186 44.771 -2.585 19034 4995 1 11 . 1 1 40 40 GLY H H 40 7.380 7.380 7.372 0.008 19034 4996 1 11 . 1 1 41 41 LEU N N 41 118.877 118.877 122.250 -3.373 19034 4997 1 11 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.951 -0.619 19034 4998 1 11 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.332 -0.262 19034 4999 1 11 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.635 -4.676 19034 5000 1 11 . 1 1 41 41 LEU H H 41 8.260 8.260 8.898 -0.638 19034 5001 1 11 . 1 1 42 42 VAL N N 42 127.032 127.032 127.781 -0.749 19034 5002 1 11 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.664 -0.157 19034 5003 1 11 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.713 -3.765 19034 5004 1 11 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.657 -1.655 19034 5005 1 11 . 1 1 42 42 VAL H H 42 8.598 8.598 8.769 -0.171 19034 5006 1 11 . 1 1 43 43 LYS N N 43 130.977 130.977 130.738 0.239 19034 5007 1 11 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.150 -0.024 19034 5008 1 11 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.134 -3.112 19034 5009 1 11 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.218 -1.125 19034 5010 1 11 . 1 1 43 43 LYS H H 43 9.307 9.307 8.686 0.621 19034 5011 1 11 . 1 1 44 44 SER N N 44 110.453 110.453 109.766 0.687 19034 5012 1 11 . 1 1 44 44 SER HA H 44 4.492 4.492 4.722 -0.230 19034 5013 1 11 . 1 1 44 44 SER CA C 44 55.890 55.890 57.686 -1.796 19034 5014 1 11 . 1 1 44 44 SER CB C 44 62.940 62.940 66.377 -3.437 19034 5015 1 11 . 1 1 44 44 SER H H 44 7.938 7.938 7.921 0.017 19034 5016 1 11 . 1 1 45 45 ILE N N 45 118.542 118.542 119.372 -0.830 19034 5017 1 11 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.984 0.066 19034 5018 1 11 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.366 -2.835 19034 5019 1 11 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.813 -1.493 19034 5020 1 11 . 1 1 45 45 ILE H H 45 8.136 8.136 8.323 -0.187 19034 5021 1 11 . 1 1 46 46 GLU N N 46 125.456 125.456 123.502 1.954 19034 5022 1 11 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.704 -0.004 19034 5023 1 11 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.260 -1.793 19034 5024 1 11 . 1 1 46 46 GLU CB C 46 30.763 30.763 33.283 -2.520 19034 5025 1 11 . 1 1 46 46 GLU H H 46 9.364 9.364 9.089 0.275 19034 5026 1 11 . 1 1 47 47 ILE N N 47 122.471 122.471 126.261 -3.790 19034 5027 1 11 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.547 0.158 19034 5028 1 11 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.264 -1.929 19034 5029 1 11 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.750 -1.962 19034 5030 1 11 . 1 1 47 47 ILE H H 47 8.672 8.672 8.556 0.116 19034 5031 1 11 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.093 -2.216 19034 5032 1 11 . 1 1 49 49 ARG N N 49 120.907 120.907 120.705 0.202 19034 5033 1 11 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.801 -0.094 19034 5034 1 11 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.809 -1.881 19034 5035 1 11 . 1 1 49 49 ARG H H 49 7.944 7.944 8.408 -0.464 19034 5036 1 11 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.419 -0.027 19034 5037 1 11 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.393 -1.765 19034 5038 1 11 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.060 -2.434 19034 5039 1 11 . 1 1 51 51 VAL N N 51 121.425 121.425 126.222 -4.797 19034 5040 1 11 . 1 1 51 51 VAL HA H 51 3.987 3.987 3.901 0.086 19034 5041 1 11 . 1 1 51 51 VAL CA C 51 58.857 58.857 62.927 -4.070 19034 5042 1 11 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.115 1.123 19034 5043 1 11 . 1 1 51 51 VAL H H 51 7.992 7.992 8.465 -0.473 19034 5044 1 11 . 1 1 52 52 ASP N N 52 127.160 127.160 129.031 -1.871 19034 5045 1 11 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.259 -0.022 19034 5046 1 11 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.950 -1.662 19034 5047 1 11 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.159 -2.209 19034 5048 1 11 . 1 1 52 52 ASP H H 52 8.746 8.746 9.108 -0.362 19034 5049 1 11 . 1 1 53 53 GLY N N 53 108.483 108.483 103.646 4.837 19034 5050 1 11 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.801 -1.827 19034 5051 1 11 . 1 1 53 53 GLY H H 53 8.589 8.589 7.817 0.772 19034 5052 1 11 . 1 1 54 54 VAL N N 54 120.874 120.874 121.780 -0.906 19034 5053 1 11 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.015 0.144 19034 5054 1 11 . 1 1 54 54 VAL CA C 54 58.489 58.489 62.587 -4.098 19034 5055 1 11 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.043 -1.010 19034 5056 1 11 . 1 1 54 54 VAL H H 54 7.804 7.804 7.757 0.047 19034 5057 1 11 . 1 1 55 55 GLU N N 55 126.140 126.140 125.873 0.267 19034 5058 1 11 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.287 -0.114 19034 5059 1 11 . 1 1 55 55 GLU CA C 55 53.696 53.696 55.835 -2.139 19034 5060 1 11 . 1 1 55 55 GLU CB C 55 26.760 26.760 29.881 -3.121 19034 5061 1 11 . 1 1 55 55 GLU H H 55 8.578 8.578 8.443 0.135 19034 5062 1 11 . 1 1 56 56 VAL N N 56 124.648 124.648 120.728 3.920 19034 5063 1 11 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.525 -0.170 19034 5064 1 11 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.769 -0.699 19034 5065 1 11 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.808 -3.002 19034 5066 1 11 . 1 1 56 56 VAL H H 56 7.661 7.661 8.301 -0.640 19034 5067 1 11 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.403 -0.286 19034 5068 1 11 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.781 -2.540 19034 5069 1 11 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.693 -2.448 19034 5070 1 11 . 1 1 58 58 GLY N N 58 109.755 109.755 111.473 -1.718 19034 5071 1 11 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.863 -2.016 19034 5072 1 11 . 1 1 58 58 GLY H H 58 8.577 8.577 8.578 -0.001 19034 5073 1 11 . 1 1 59 59 CYS N N 59 118.400 118.400 119.215 -0.815 19034 5074 1 11 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.282 -0.227 19034 5075 1 11 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.824 -1.500 19034 5076 1 11 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.105 -3.927 19034 5077 1 11 . 1 1 59 59 CYS H H 59 7.631 7.631 7.832 -0.201 19034 5078 1 11 . 1 1 60 60 GLY N N 60 119.002 119.002 112.912 6.090 19034 5079 1 11 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.465 -3.326 19034 5080 1 11 . 1 1 60 60 GLY H H 60 10.447 10.447 8.428 2.019 19034 5081 1 11 . 1 1 61 61 LYS N N 61 122.250 122.250 120.481 1.769 19034 5082 1 11 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.150 0.181 19034 5083 1 11 . 1 1 61 61 LYS CA C 61 52.944 52.944 56.489 -3.545 19034 5084 1 11 . 1 1 61 61 LYS CB C 61 33.173 33.173 32.879 0.294 19034 5085 1 11 . 1 1 61 61 LYS H H 61 8.233 8.233 7.127 1.106 19034 5086 1 11 . 1 1 62 62 ILE N N 62 118.312 118.312 117.779 0.533 19034 5087 1 11 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.545 -0.249 19034 5088 1 11 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.434 -2.048 19034 5089 1 11 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.058 -3.055 19034 5090 1 11 . 1 1 62 62 ILE H H 62 7.272 7.272 8.008 -0.736 19034 5091 1 11 . 1 1 63 63 PHE N N 63 125.445 125.445 122.196 3.249 19034 5092 1 11 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.492 -0.192 19034 5093 1 11 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.197 -2.703 19034 5094 1 11 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.942 -2.151 19034 5095 1 11 . 1 1 63 63 PHE H H 63 8.876 8.876 8.752 0.124 19034 5096 1 11 . 1 1 64 64 VAL N N 64 122.504 122.504 118.861 3.643 19034 5097 1 11 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.907 -0.587 19034 5098 1 11 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.462 -0.934 19034 5099 1 11 . 1 1 64 64 VAL CB C 64 32.571 32.571 35.470 -2.899 19034 5100 1 11 . 1 1 64 64 VAL H H 64 9.161 9.161 8.929 0.232 19034 5101 1 11 . 1 1 65 65 GLU N N 65 127.687 127.687 124.166 3.521 19034 5102 1 11 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.799 -0.122 19034 5103 1 11 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.623 -3.178 19034 5104 1 11 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.824 -4.265 19034 5105 1 11 . 1 1 65 65 GLU H H 65 8.601 8.601 8.396 0.205 19034 5106 1 11 . 1 1 66 66 PHE N N 66 126.672 126.672 124.901 1.771 19034 5107 1 11 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.184 -0.091 19034 5108 1 11 . 1 1 66 66 PHE CA C 66 55.185 55.185 57.707 -2.522 19034 5109 1 11 . 1 1 66 66 PHE CB C 66 39.141 39.141 40.519 -1.378 19034 5110 1 11 . 1 1 66 66 PHE H H 66 9.352 9.352 9.136 0.216 19034 5111 1 11 . 1 1 67 67 THR N N 67 109.616 109.616 115.151 -5.535 19034 5112 1 11 . 1 1 67 67 THR HA H 67 4.248 4.248 4.246 0.002 19034 5113 1 11 . 1 1 67 67 THR CA C 67 60.963 60.963 63.375 -2.412 19034 5114 1 11 . 1 1 67 67 THR CB C 67 66.974 66.974 69.069 -2.095 19034 5115 1 11 . 1 1 67 67 THR H H 67 9.072 9.072 8.942 0.130 19034 5116 1 11 . 1 1 68 68 SER N N 68 111.776 111.776 112.083 -0.307 19034 5117 1 11 . 1 1 68 68 SER HA H 68 4.922 4.922 4.781 0.141 19034 5118 1 11 . 1 1 68 68 SER CA C 68 53.411 53.411 57.361 -3.950 19034 5119 1 11 . 1 1 68 68 SER CB C 68 63.507 63.507 65.695 -2.188 19034 5120 1 11 . 1 1 68 68 SER H H 68 7.511 7.511 7.637 -0.126 19034 5121 1 11 . 1 1 69 69 VAL N N 69 123.476 123.476 124.410 -0.934 19034 5122 1 11 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.851 -0.446 19034 5123 1 11 . 1 1 69 69 VAL CA C 69 62.588 62.588 66.376 -3.788 19034 5124 1 11 . 1 1 69 69 VAL CB C 69 28.878 28.878 32.064 -3.186 19034 5125 1 11 . 1 1 69 69 VAL H H 69 8.854 8.854 8.956 -0.102 19034 5126 1 11 . 1 1 70 70 PHE N N 70 119.530 119.530 120.600 -1.070 19034 5127 1 11 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.219 0.010 19034 5128 1 11 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.054 -4.152 19034 5129 1 11 . 1 1 70 70 PHE CB C 70 36.263 36.263 37.611 -1.348 19034 5130 1 11 . 1 1 70 70 PHE H H 70 7.673 7.673 8.436 -0.763 19034 5131 1 11 . 1 1 71 71 ASP N N 71 120.024 120.024 119.275 0.749 19034 5132 1 11 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.308 -0.132 19034 5133 1 11 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.572 -3.266 19034 5134 1 11 . 1 1 71 71 ASP CB C 71 37.867 37.867 39.899 -2.032 19034 5135 1 11 . 1 1 71 71 ASP H H 71 7.585 7.585 8.679 -1.094 19034 5136 1 11 . 1 1 72 72 CYS N N 72 119.689 119.689 119.380 0.309 19034 5137 1 11 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.947 -0.151 19034 5138 1 11 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.764 -5.617 19034 5139 1 11 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.583 -2.234 19034 5140 1 11 . 1 1 72 72 CYS H H 72 7.087 7.087 7.500 -0.413 19034 5141 1 11 . 1 1 73 73 GLN N N 73 117.350 117.350 118.412 -1.062 19034 5142 1 11 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.034 0.372 19034 5143 1 11 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.872 -2.511 19034 5144 1 11 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.653 -1.770 19034 5145 1 11 . 1 1 73 73 GLN H H 73 8.478 8.478 8.206 0.272 19034 5146 1 11 . 1 1 74 74 LYS N N 74 119.692 119.692 119.140 0.552 19034 5147 1 11 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.110 -0.336 19034 5148 1 11 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.780 -1.953 19034 5149 1 11 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.442 -2.940 19034 5150 1 11 . 1 1 74 74 LYS H H 74 7.468 7.468 7.357 0.111 19034 5151 1 11 . 1 1 75 75 ALA N N 75 124.287 124.287 122.868 1.419 19034 5152 1 11 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.457 -0.862 19034 5153 1 11 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.965 -3.269 19034 5154 1 11 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.163 -1.072 19034 5155 1 11 . 1 1 75 75 ALA H H 75 7.549 7.549 7.638 -0.089 19034 5156 1 11 . 1 1 76 76 MET N N 76 118.919 118.919 119.041 -0.122 19034 5157 1 11 . 1 1 76 76 MET HA H 76 3.490 3.490 3.743 -0.253 19034 5158 1 11 . 1 1 76 76 MET CA C 76 56.956 56.956 59.525 -2.569 19034 5159 1 11 . 1 1 76 76 MET CB C 76 28.966 28.966 32.504 -3.538 19034 5160 1 11 . 1 1 76 76 MET H H 76 8.700 8.700 8.126 0.574 19034 5161 1 11 . 1 1 77 77 GLN N N 77 118.282 118.282 115.909 2.373 19034 5162 1 11 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.027 -0.171 19034 5163 1 11 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.700 -2.000 19034 5164 1 11 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.577 -2.796 19034 5165 1 11 . 1 1 77 77 GLN H H 77 7.798 7.798 8.309 -0.511 19034 5166 1 11 . 1 1 78 78 GLY N N 78 106.137 106.137 106.062 0.075 19034 5167 1 11 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.452 -2.704 19034 5168 1 11 . 1 1 78 78 GLY H H 78 7.797 7.797 7.748 0.049 19034 5169 1 11 . 1 1 79 79 LEU N N 79 118.753 118.753 118.062 0.691 19034 5170 1 11 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.517 -0.327 19034 5171 1 11 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.728 -0.465 19034 5172 1 11 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.735 -1.821 19034 5173 1 11 . 1 1 79 79 LEU H H 79 8.039 8.039 7.632 0.407 19034 5174 1 11 . 1 1 80 80 THR N N 80 114.360 114.360 117.872 -3.512 19034 5175 1 11 . 1 1 80 80 THR HA H 80 3.550 3.550 3.910 -0.360 19034 5176 1 11 . 1 1 80 80 THR CA C 80 63.539 63.539 65.387 -1.848 19034 5177 1 11 . 1 1 80 80 THR CB C 80 66.102 66.102 68.383 -2.281 19034 5178 1 11 . 1 1 80 80 THR H H 80 7.177 7.177 8.059 -0.882 19034 5179 1 11 . 1 1 81 81 GLY N N 81 115.554 115.554 116.048 -0.494 19034 5180 1 11 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.133 -2.140 19034 5181 1 11 . 1 1 81 81 GLY H H 81 8.680 8.680 8.955 -0.275 19034 5182 1 11 . 1 1 82 82 ARG N N 82 120.945 120.945 120.996 -0.051 19034 5183 1 11 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.502 -0.409 19034 5184 1 11 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.141 -2.695 19034 5185 1 11 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.577 -3.429 19034 5186 1 11 . 1 1 82 82 ARG H H 82 7.520 7.520 7.746 -0.226 19034 5187 1 11 . 1 1 83 83 LYS N N 83 121.584 121.584 118.300 3.284 19034 5188 1 11 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.237 -0.229 19034 5189 1 11 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.545 -2.823 19034 5190 1 11 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.222 -2.632 19034 5191 1 11 . 1 1 83 83 LYS H H 83 8.165 8.165 8.465 -0.300 19034 5192 1 11 . 1 1 84 84 PHE N N 84 125.104 125.104 122.586 2.518 19034 5193 1 11 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.873 -0.436 19034 5194 1 11 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.099 -1.325 19034 5195 1 11 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.282 -0.195 19034 5196 1 11 . 1 1 84 84 PHE H H 84 8.656 8.656 9.288 -0.632 19034 5197 1 11 . 1 1 85 85 ALA N N 85 127.849 127.849 119.319 8.530 19034 5198 1 11 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.306 -0.538 19034 5199 1 11 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.538 -1.490 19034 5200 1 11 . 1 1 85 85 ALA CB C 85 14.121 14.121 20.029 -5.908 19034 5201 1 11 . 1 1 85 85 ALA H H 85 8.831 8.831 7.856 0.975 19034 5202 1 11 . 1 1 86 86 ASN N N 86 113.065 113.065 115.463 -2.398 19034 5203 1 11 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.792 -0.433 19034 5204 1 11 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.744 -2.335 19034 5205 1 11 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.754 -5.032 19034 5206 1 11 . 1 1 86 86 ASN H H 86 8.406 8.406 8.621 -0.215 19034 5207 1 11 . 1 1 87 87 ARG N N 87 121.167 121.167 120.301 0.866 19034 5208 1 11 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.576 -0.055 19034 5209 1 11 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.029 -2.243 19034 5210 1 11 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.706 -1.826 19034 5211 1 11 . 1 1 87 87 ARG H H 87 8.250 8.250 8.200 0.050 19034 5212 1 11 . 1 1 88 88 VAL N N 88 121.437 121.437 121.174 0.263 19034 5213 1 11 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.081 0.193 19034 5214 1 11 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.653 -3.372 19034 5215 1 11 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.585 -2.295 19034 5216 1 11 . 1 1 88 88 VAL H H 88 8.279 8.279 8.376 -0.097 19034 5217 1 11 . 1 1 89 89 VAL N N 89 127.754 127.754 129.378 -1.624 19034 5218 1 11 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.083 0.029 19034 5219 1 11 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.992 0.139 19034 5220 1 11 . 1 1 89 89 VAL CB C 89 30.108 30.108 31.155 -1.047 19034 5221 1 11 . 1 1 89 89 VAL H H 89 8.601 8.601 8.800 -0.199 19034 5222 1 11 . 1 1 90 90 VAL N N 90 127.874 127.874 122.442 5.432 19034 5223 1 11 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.202 0.119 19034 5224 1 11 . 1 1 90 90 VAL CA C 90 58.489 58.489 61.529 -3.040 19034 5225 1 11 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.078 0.268 19034 5226 1 11 . 1 1 90 90 VAL H H 90 7.866 7.866 8.071 -0.205 19034 5227 1 11 . 1 1 91 91 THR N N 91 114.187 114.187 114.158 0.029 19034 5228 1 11 . 1 1 91 91 THR HA H 91 5.528 5.528 5.074 0.454 19034 5229 1 11 . 1 1 91 91 THR CA C 91 56.193 56.193 60.034 -3.841 19034 5230 1 11 . 1 1 91 91 THR CB C 91 69.553 69.553 71.448 -1.895 19034 5231 1 11 . 1 1 91 91 THR H H 91 8.119 8.119 8.076 0.043 19034 5232 1 11 . 1 1 92 92 LYS N N 92 116.111 116.111 122.737 -6.626 19034 5233 1 11 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.553 -0.207 19034 5234 1 11 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.401 -2.747 19034 5235 1 11 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.570 -2.683 19034 5236 1 11 . 1 1 92 92 LYS H H 92 8.199 8.199 8.255 -0.056 19034 5237 1 11 . 1 1 93 93 TYR N N 93 121.017 121.017 121.315 -0.298 19034 5238 1 11 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.716 0.244 19034 5239 1 11 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.580 -3.170 19034 5240 1 11 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.562 -2.022 19034 5241 1 11 . 1 1 93 93 TYR H H 93 8.450 8.450 8.529 -0.079 19034 5242 1 11 . 1 1 94 94 CYS N N 94 119.566 119.566 121.501 -1.935 19034 5243 1 11 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.755 0.057 19034 5244 1 11 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.645 -2.644 19034 5245 1 11 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.617 -3.031 19034 5246 1 11 . 1 1 94 94 CYS H H 94 8.614 8.614 8.338 0.276 19034 5247 1 11 . 1 1 95 95 ASP N N 95 128.707 128.707 120.816 7.891 19034 5248 1 11 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.991 -0.154 19034 5249 1 11 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.724 -2.714 19034 5250 1 11 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.889 -3.173 19034 5251 1 11 . 1 1 95 95 ASP H H 95 8.969 8.969 8.807 0.162 19034 5252 1 11 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.525 -2.790 19034 5253 1 11 . 1 1 97 97 ASP N N 97 118.102 118.102 118.836 -0.734 19034 5254 1 11 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.562 -0.133 19034 5255 1 11 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.796 -2.755 19034 5256 1 11 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.683 -2.924 19034 5257 1 11 . 1 1 97 97 ASP H H 97 8.189 8.189 8.840 -0.651 19034 5258 1 11 . 1 1 98 98 SER N N 98 116.394 116.394 112.063 4.331 19034 5259 1 11 . 1 1 98 98 SER HA H 98 3.961 3.961 4.340 -0.379 19034 5260 1 11 . 1 1 98 98 SER CA C 98 59.519 59.519 59.314 0.205 19034 5261 1 11 . 1 1 98 98 SER H H 98 7.792 7.792 8.479 -0.687 19034 5262 1 11 . 1 1 99 99 TYR N N 99 121.890 121.890 124.866 -2.976 19034 5263 1 11 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.212 -0.470 19034 5264 1 11 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.374 -2.577 19034 5265 1 11 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.492 -3.317 19034 5266 1 11 . 1 1 99 99 TYR H H 99 7.625 7.625 7.594 0.031 19034 5267 1 11 . 1 1 100 100 HIS N N 100 118.065 118.065 116.142 1.923 19034 5268 1 11 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.494 -0.364 19034 5269 1 11 . 1 1 100 100 HIS CA C 100 55.608 55.608 59.271 -3.663 19034 5270 1 11 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.211 -4.417 19034 5271 1 11 . 1 1 100 100 HIS H H 100 8.425 8.425 8.024 0.402 19034 5272 1 11 . 1 1 101 101 ARG N N 101 116.756 116.756 118.683 -1.927 19034 5273 1 11 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.562 -0.461 19034 5274 1 11 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.759 -1.118 19034 5275 1 11 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.881 -3.772 19034 5276 1 11 . 1 1 101 101 ARG H H 101 7.406 7.406 7.570 -0.164 19034 5277 1 11 . 1 1 102 102 ARG N N 102 115.254 115.254 120.286 -5.032 19034 5278 1 11 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.125 -0.825 19034 5279 1 11 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.079 -0.493 19034 5280 1 11 . 1 1 102 102 ARG CB C 102 25.084 25.084 28.650 -3.566 19034 5281 1 11 . 1 1 102 102 ARG H H 102 7.297 7.297 8.434 -1.137 19034 5282 1 11 . 1 1 103 103 ASP N N 103 119.588 119.588 121.759 -2.171 19034 5283 1 11 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.445 -0.099 19034 5284 1 11 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.674 -4.093 19034 5285 1 11 . 1 1 103 103 ASP CB C 103 37.749 37.749 41.167 -3.418 19034 5286 1 11 . 1 1 103 103 ASP H H 103 7.467 7.467 7.387 0.080 19034 5287 1 11 . 1 1 104 104 PHE N N 104 120.438 120.438 119.878 0.560 19034 5288 1 11 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.822 -0.482 19034 5289 1 11 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.114 -4.413 19034 5290 1 11 . 1 1 104 104 PHE CB C 104 36.842 36.842 40.352 -3.510 19034 5291 1 11 . 1 1 104 104 PHE H H 104 7.138 7.138 7.680 -0.542 19034 5292 1 12 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.071 -2.614 19034 5293 1 12 . 1 1 3 3 HIS N N 3 118.891 118.891 119.582 -0.691 19034 5294 1 12 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.760 0.073 19034 5295 1 12 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.298 -3.780 19034 5296 1 12 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.498 -3.086 19034 5297 1 12 . 1 1 3 3 HIS H H 3 8.079 8.079 8.477 -0.398 19034 5298 1 12 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.661 -1.645 19034 5299 1 12 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.316 -2.349 19034 5300 1 12 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.209 -2.271 19034 5301 1 12 . 1 1 5 5 THR N N 5 113.236 113.236 111.043 2.193 19034 5302 1 12 . 1 1 5 5 THR HA H 5 4.430 4.430 4.542 -0.112 19034 5303 1 12 . 1 1 5 5 THR CA C 5 56.748 56.748 59.651 -2.903 19034 5304 1 12 . 1 1 5 5 THR CB C 5 69.859 69.859 72.064 -2.205 19034 5305 1 12 . 1 1 5 5 THR H H 5 6.242 6.242 7.754 -1.512 19034 5306 1 12 . 1 1 6 6 GLU N N 6 114.417 114.417 121.295 -6.878 19034 5307 1 12 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.103 0.072 19034 5308 1 12 . 1 1 6 6 GLU CA C 6 55.424 55.424 58.512 -3.088 19034 5309 1 12 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.179 -3.050 19034 5310 1 12 . 1 1 6 6 GLU H H 6 10.185 10.185 8.924 1.261 19034 5311 1 12 . 1 1 7 7 VAL N N 7 119.290 119.290 114.814 4.476 19034 5312 1 12 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.471 0.567 19034 5313 1 12 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.878 -2.602 19034 5314 1 12 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.402 -2.880 19034 5315 1 12 . 1 1 7 7 VAL H H 7 8.270 8.270 7.494 0.776 19034 5316 1 12 . 1 1 8 8 LEU N N 8 130.138 130.138 118.851 11.287 19034 5317 1 12 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.911 -0.270 19034 5318 1 12 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.057 -4.269 19034 5319 1 12 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.317 -2.432 19034 5320 1 12 . 1 1 8 8 LEU H H 8 9.316 9.316 8.265 1.051 19034 5321 1 12 . 1 1 9 9 CYS N N 9 123.769 123.769 122.738 1.031 19034 5322 1 12 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.853 0.186 19034 5323 1 12 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.220 -3.972 19034 5324 1 12 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.127 -2.899 19034 5325 1 12 . 1 1 9 9 CYS H H 9 8.902 8.902 8.906 -0.004 19034 5326 1 12 . 1 1 10 10 LEU N N 10 127.313 127.313 128.109 -0.796 19034 5327 1 12 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.209 -0.625 19034 5328 1 12 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.288 -1.920 19034 5329 1 12 . 1 1 10 10 LEU CB C 10 40.709 40.709 45.452 -4.743 19034 5330 1 12 . 1 1 10 10 LEU H H 10 9.203 9.203 9.032 0.171 19034 5331 1 12 . 1 1 11 11 MET N N 11 124.158 124.158 117.608 6.550 19034 5332 1 12 . 1 1 11 11 MET HA H 11 4.481 4.481 4.876 -0.395 19034 5333 1 12 . 1 1 11 11 MET CA C 11 52.655 52.655 54.683 -2.028 19034 5334 1 12 . 1 1 11 11 MET CB C 11 33.156 33.156 37.028 -3.872 19034 5335 1 12 . 1 1 11 11 MET H H 11 9.161 9.161 8.138 1.023 19034 5336 1 12 . 1 1 12 12 ASN N N 12 114.067 114.067 113.977 0.090 19034 5337 1 12 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.285 -0.004 19034 5338 1 12 . 1 1 12 12 ASN CA C 12 51.685 51.685 55.125 -3.440 19034 5339 1 12 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.687 -1.373 19034 5340 1 12 . 1 1 12 12 ASN H H 12 8.842 8.842 9.009 -0.167 19034 5341 1 12 . 1 1 13 13 MET N N 13 118.202 118.202 117.955 0.247 19034 5342 1 12 . 1 1 13 13 MET HA H 13 3.952 3.952 4.268 -0.316 19034 5343 1 12 . 1 1 13 13 MET CA C 13 55.132 55.132 58.541 -3.409 19034 5344 1 12 . 1 1 13 13 MET CB C 13 31.944 31.944 33.980 -2.036 19034 5345 1 12 . 1 1 13 13 MET H H 13 8.519 8.519 7.658 0.861 19034 5346 1 12 . 1 1 14 14 VAL N N 14 110.436 110.436 113.438 -3.002 19034 5347 1 12 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.324 0.128 19034 5348 1 12 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.894 -5.073 19034 5349 1 12 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.139 -0.385 19034 5350 1 12 . 1 1 14 14 VAL H H 14 6.949 6.949 7.876 -0.927 19034 5351 1 12 . 1 1 15 15 LEU N N 15 123.248 123.248 122.462 0.786 19034 5352 1 12 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.791 -0.012 19034 5353 1 12 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.783 -2.902 19034 5354 1 12 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.699 -2.199 19034 5355 1 12 . 1 1 15 15 LEU H H 15 8.346 8.346 8.353 -0.007 19034 5356 1 12 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.405 -0.522 19034 5357 1 12 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.589 -8.483 19034 5358 1 12 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.142 -2.629 19034 5359 1 12 . 1 1 17 17 GLU N N 17 119.496 119.496 115.250 4.246 19034 5360 1 12 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.421 -0.310 19034 5361 1 12 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.606 -2.111 19034 5362 1 12 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.079 -2.191 19034 5363 1 12 . 1 1 17 17 GLU H H 17 7.754 7.754 8.517 -0.763 19034 5364 1 12 . 1 1 18 18 GLU N N 18 112.697 112.697 118.195 -5.498 19034 5365 1 12 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.566 -0.588 19034 5366 1 12 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.981 0.304 19034 5367 1 12 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.638 -5.562 19034 5368 1 12 . 1 1 18 18 GLU H H 18 8.975 8.975 7.815 1.160 19034 5369 1 12 . 1 1 19 19 LEU N N 19 113.096 113.096 123.104 -10.008 19034 5370 1 12 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.426 -0.007 19034 5371 1 12 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.880 -3.932 19034 5372 1 12 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.075 0.267 19034 5373 1 12 . 1 1 19 19 LEU H H 19 7.266 7.266 8.160 -0.894 19034 5374 1 12 . 1 1 20 20 LEU N N 20 119.130 119.130 119.646 -0.516 19034 5375 1 12 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.573 -0.535 19034 5376 1 12 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.742 -0.740 19034 5377 1 12 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.280 -3.014 19034 5378 1 12 . 1 1 20 20 LEU H H 20 7.102 7.102 7.610 -0.508 19034 5379 1 12 . 1 1 21 21 ASP N N 21 120.713 120.713 122.631 -1.918 19034 5380 1 12 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.453 0.154 19034 5381 1 12 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.705 -4.899 19034 5382 1 12 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.159 0.408 19034 5383 1 12 . 1 1 21 21 ASP H H 21 8.071 8.071 8.405 -0.334 19034 5384 1 12 . 1 1 22 22 ASP N N 22 126.353 126.353 124.460 1.893 19034 5385 1 12 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.289 -0.047 19034 5386 1 12 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.759 -1.109 19034 5387 1 12 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.899 -2.816 19034 5388 1 12 . 1 1 22 22 ASP H H 22 8.835 8.835 8.244 0.591 19034 5389 1 12 . 1 1 23 23 GLU N N 23 119.623 119.623 117.610 2.013 19034 5390 1 12 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.278 -0.212 19034 5391 1 12 . 1 1 23 23 GLU CA C 23 56.840 56.840 57.909 -1.069 19034 5392 1 12 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.465 -3.053 19034 5393 1 12 . 1 1 23 23 GLU H H 23 8.177 8.177 8.328 -0.151 19034 5394 1 12 . 1 1 24 24 GLU N N 24 121.959 121.959 121.114 0.845 19034 5395 1 12 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.131 -0.135 19034 5396 1 12 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.292 -1.931 19034 5397 1 12 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.678 -3.221 19034 5398 1 12 . 1 1 24 24 GLU H H 24 8.218 8.218 7.873 0.345 19034 5399 1 12 . 1 1 25 25 TYR N N 25 119.522 119.522 120.543 -1.021 19034 5400 1 12 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.050 -0.099 19034 5401 1 12 . 1 1 25 25 TYR CA C 25 59.647 59.647 62.179 -2.532 19034 5402 1 12 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.529 -2.523 19034 5403 1 12 . 1 1 25 25 TYR H H 25 8.694 8.694 8.377 0.317 19034 5404 1 12 . 1 1 26 26 GLU N N 26 116.410 116.410 116.506 -0.096 19034 5405 1 12 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.033 -0.331 19034 5406 1 12 . 1 1 26 26 GLU CA C 26 56.329 56.329 60.002 -3.673 19034 5407 1 12 . 1 1 26 26 GLU CB C 26 26.178 26.178 28.918 -2.740 19034 5408 1 12 . 1 1 26 26 GLU H H 26 7.852 7.852 8.321 -0.469 19034 5409 1 12 . 1 1 27 27 GLU N N 27 118.895 118.895 119.649 -0.754 19034 5410 1 12 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.085 -0.164 19034 5411 1 12 . 1 1 27 27 GLU CA C 27 56.445 56.445 58.913 -2.468 19034 5412 1 12 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.230 -2.990 19034 5413 1 12 . 1 1 27 27 GLU H H 27 7.555 7.555 7.492 0.063 19034 5414 1 12 . 1 1 28 28 ILE N N 28 121.720 121.720 120.255 1.465 19034 5415 1 12 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.642 -0.000 19034 5416 1 12 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.305 -2.950 19034 5417 1 12 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.823 -2.757 19034 5418 1 12 . 1 1 28 28 ILE H H 28 7.918 7.918 8.321 -0.403 19034 5419 1 12 . 1 1 29 29 VAL N N 29 119.336 119.336 119.579 -0.243 19034 5420 1 12 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.325 -0.290 19034 5421 1 12 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.883 -2.276 19034 5422 1 12 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.306 -2.242 19034 5423 1 12 . 1 1 29 29 VAL H H 29 7.832 7.832 7.390 0.442 19034 5424 1 12 . 1 1 30 30 GLU N N 30 116.291 116.291 119.012 -2.721 19034 5425 1 12 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.938 -0.061 19034 5426 1 12 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.724 -3.663 19034 5427 1 12 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.180 -3.069 19034 5428 1 12 . 1 1 30 30 GLU H H 30 7.405 7.405 7.516 -0.111 19034 5429 1 12 . 1 1 31 31 ASP N N 31 120.811 120.811 119.102 1.709 19034 5430 1 12 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.503 -0.129 19034 5431 1 12 . 1 1 31 31 ASP CA C 31 54.532 54.532 56.619 -2.087 19034 5432 1 12 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.815 -3.530 19034 5433 1 12 . 1 1 31 31 ASP H H 31 8.471 8.471 8.077 0.394 19034 5434 1 12 . 1 1 32 32 VAL N N 32 121.006 121.006 120.027 0.979 19034 5435 1 12 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.550 -0.139 19034 5436 1 12 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.348 -1.133 19034 5437 1 12 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.311 -2.766 19034 5438 1 12 . 1 1 32 32 VAL H H 32 8.655 8.655 7.476 1.179 19034 5439 1 12 . 1 1 33 33 ARG N N 33 122.143 122.143 121.108 1.035 19034 5440 1 12 . 1 1 33 33 ARG HA H 33 3.493 3.493 4.012 -0.519 19034 5441 1 12 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.462 -1.031 19034 5442 1 12 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.815 -2.583 19034 5443 1 12 . 1 1 33 33 ARG H H 33 8.507 8.507 8.263 0.244 19034 5444 1 12 . 1 1 34 34 ASP N N 34 120.971 120.971 118.465 2.506 19034 5445 1 12 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.255 0.001 19034 5446 1 12 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.596 -2.495 19034 5447 1 12 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.803 -2.727 19034 5448 1 12 . 1 1 34 34 ASP H H 34 8.633 8.633 7.863 0.770 19034 5449 1 12 . 1 1 35 35 GLU N N 35 119.918 119.918 118.171 1.747 19034 5450 1 12 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.050 0.014 19034 5451 1 12 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.638 -2.207 19034 5452 1 12 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.434 -2.574 19034 5453 1 12 . 1 1 35 35 GLU H H 35 8.184 8.184 7.713 0.471 19034 5454 1 12 . 1 1 36 36 CYS N N 36 114.288 114.288 117.130 -2.842 19034 5455 1 12 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.597 -0.223 19034 5456 1 12 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.235 1.308 19034 5457 1 12 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.795 -2.885 19034 5458 1 12 . 1 1 36 36 CYS H H 36 8.584 8.584 8.230 0.354 19034 5459 1 12 . 1 1 37 37 SER N N 37 114.987 114.987 117.293 -2.306 19034 5460 1 12 . 1 1 37 37 SER HA H 37 5.135 5.135 4.347 0.788 19034 5461 1 12 . 1 1 37 37 SER CA C 37 58.124 58.124 60.813 -2.689 19034 5462 1 12 . 1 1 37 37 SER CB C 37 60.481 60.481 62.703 -2.222 19034 5463 1 12 . 1 1 37 37 SER H H 37 8.164 8.164 8.187 -0.023 19034 5464 1 12 . 1 1 38 38 LYS N N 38 119.574 119.574 120.642 -1.068 19034 5465 1 12 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.911 -0.107 19034 5466 1 12 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.257 -2.767 19034 5467 1 12 . 1 1 38 38 LYS CB C 38 29.371 29.371 31.925 -2.554 19034 5468 1 12 . 1 1 38 38 LYS H H 38 7.111 7.111 7.423 -0.312 19034 5469 1 12 . 1 1 39 39 TYR N N 39 116.372 116.372 115.514 0.858 19034 5470 1 12 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.647 -0.343 19034 5471 1 12 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.180 -1.256 19034 5472 1 12 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.249 -2.127 19034 5473 1 12 . 1 1 39 39 TYR H H 39 7.576 7.576 7.520 0.056 19034 5474 1 12 . 1 1 40 40 GLY N N 40 103.718 103.718 107.187 -3.469 19034 5475 1 12 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.372 -3.186 19034 5476 1 12 . 1 1 40 40 GLY H H 40 7.380 7.380 7.587 -0.207 19034 5477 1 12 . 1 1 41 41 LEU N N 41 118.877 118.877 122.823 -3.946 19034 5478 1 12 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.856 -0.524 19034 5479 1 12 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.116 -1.046 19034 5480 1 12 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.767 -5.809 19034 5481 1 12 . 1 1 41 41 LEU H H 41 8.260 8.260 8.178 0.082 19034 5482 1 12 . 1 1 42 42 VAL N N 42 127.032 127.032 125.665 1.367 19034 5483 1 12 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.610 -0.103 19034 5484 1 12 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.623 -2.675 19034 5485 1 12 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.256 -1.254 19034 5486 1 12 . 1 1 42 42 VAL H H 42 8.598 8.598 8.733 -0.135 19034 5487 1 12 . 1 1 43 43 LYS N N 43 130.977 130.977 129.738 1.239 19034 5488 1 12 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.252 -0.126 19034 5489 1 12 . 1 1 43 43 LYS CA C 43 55.022 55.022 57.730 -2.708 19034 5490 1 12 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.484 -1.391 19034 5491 1 12 . 1 1 43 43 LYS H H 43 9.307 9.307 8.694 0.613 19034 5492 1 12 . 1 1 44 44 SER N N 44 110.453 110.453 110.685 -0.232 19034 5493 1 12 . 1 1 44 44 SER HA H 44 4.492 4.492 4.767 -0.275 19034 5494 1 12 . 1 1 44 44 SER CA C 44 55.890 55.890 57.336 -1.446 19034 5495 1 12 . 1 1 44 44 SER CB C 44 62.940 62.940 65.013 -2.073 19034 5496 1 12 . 1 1 44 44 SER H H 44 7.938 7.938 7.673 0.265 19034 5497 1 12 . 1 1 45 45 ILE N N 45 118.542 118.542 121.041 -2.499 19034 5498 1 12 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.836 0.214 19034 5499 1 12 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.674 -3.143 19034 5500 1 12 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.032 -0.712 19034 5501 1 12 . 1 1 45 45 ILE H H 45 8.136 8.136 8.411 -0.275 19034 5502 1 12 . 1 1 46 46 GLU N N 46 125.456 125.456 127.847 -2.391 19034 5503 1 12 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.687 0.013 19034 5504 1 12 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.073 -2.606 19034 5505 1 12 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.333 -0.570 19034 5506 1 12 . 1 1 46 46 GLU H H 46 9.364 9.364 9.386 -0.022 19034 5507 1 12 . 1 1 47 47 ILE N N 47 122.471 122.471 127.528 -5.057 19034 5508 1 12 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.614 0.091 19034 5509 1 12 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.575 -2.240 19034 5510 1 12 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.968 -2.180 19034 5511 1 12 . 1 1 47 47 ILE H H 47 8.672 8.672 8.284 0.388 19034 5512 1 12 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.532 -2.656 19034 5513 1 12 . 1 1 49 49 ARG N N 49 120.907 120.907 120.634 0.273 19034 5514 1 12 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.607 0.100 19034 5515 1 12 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.477 -0.549 19034 5516 1 12 . 1 1 49 49 ARG H H 49 7.944 7.944 8.352 -0.408 19034 5517 1 12 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.381 0.011 19034 5518 1 12 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.698 -2.070 19034 5519 1 12 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.587 -2.961 19034 5520 1 12 . 1 1 51 51 VAL N N 51 121.425 121.425 121.150 0.275 19034 5521 1 12 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.098 -0.111 19034 5522 1 12 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.970 -3.113 19034 5523 1 12 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.662 0.576 19034 5524 1 12 . 1 1 51 51 VAL H H 51 7.992 7.992 8.220 -0.228 19034 5525 1 12 . 1 1 52 52 ASP N N 52 127.160 127.160 128.712 -1.552 19034 5526 1 12 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.267 -0.030 19034 5527 1 12 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.368 -2.080 19034 5528 1 12 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.269 -2.319 19034 5529 1 12 . 1 1 52 52 ASP H H 52 8.746 8.746 9.074 -0.328 19034 5530 1 12 . 1 1 53 53 GLY N N 53 108.483 108.483 103.444 5.039 19034 5531 1 12 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.866 -1.892 19034 5532 1 12 . 1 1 53 53 GLY H H 53 8.589 8.589 8.369 0.220 19034 5533 1 12 . 1 1 54 54 VAL N N 54 120.874 120.874 122.993 -2.119 19034 5534 1 12 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.174 -0.015 19034 5535 1 12 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.535 -3.046 19034 5536 1 12 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.008 -0.975 19034 5537 1 12 . 1 1 54 54 VAL H H 54 7.804 7.804 7.848 -0.044 19034 5538 1 12 . 1 1 55 55 GLU N N 55 126.140 126.140 126.018 0.122 19034 5539 1 12 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.278 -0.105 19034 5540 1 12 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.474 -2.778 19034 5541 1 12 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.121 -3.361 19034 5542 1 12 . 1 1 55 55 GLU H H 55 8.578 8.578 8.524 0.054 19034 5543 1 12 . 1 1 56 56 VAL N N 56 124.648 124.648 116.851 7.797 19034 5544 1 12 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.675 -0.320 19034 5545 1 12 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.810 -0.740 19034 5546 1 12 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.812 -4.006 19034 5547 1 12 . 1 1 56 56 VAL H H 56 7.661 7.661 8.060 -0.399 19034 5548 1 12 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.505 -0.388 19034 5549 1 12 . 1 1 57 57 PRO CA C 57 61.241 61.241 64.270 -3.029 19034 5550 1 12 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.132 -2.887 19034 5551 1 12 . 1 1 58 58 GLY N N 58 109.755 109.755 111.203 -1.448 19034 5552 1 12 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.348 -2.501 19034 5553 1 12 . 1 1 58 58 GLY H H 58 8.577 8.577 8.535 0.042 19034 5554 1 12 . 1 1 59 59 CYS N N 59 118.400 118.400 119.355 -0.955 19034 5555 1 12 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.262 -0.207 19034 5556 1 12 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.861 -1.537 19034 5557 1 12 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.504 -4.326 19034 5558 1 12 . 1 1 59 59 CYS H H 59 7.631 7.631 7.466 0.165 19034 5559 1 12 . 1 1 60 60 GLY N N 60 119.002 119.002 113.127 5.875 19034 5560 1 12 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.728 -3.589 19034 5561 1 12 . 1 1 60 60 GLY H H 60 10.447 10.447 9.032 1.415 19034 5562 1 12 . 1 1 61 61 LYS N N 61 122.250 122.250 119.642 2.608 19034 5563 1 12 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.715 -0.384 19034 5564 1 12 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.440 -2.496 19034 5565 1 12 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.031 -0.858 19034 5566 1 12 . 1 1 61 61 LYS H H 61 8.233 8.233 7.131 1.102 19034 5567 1 12 . 1 1 62 62 ILE N N 62 118.312 118.312 120.427 -2.115 19034 5568 1 12 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.538 -0.242 19034 5569 1 12 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.335 -1.949 19034 5570 1 12 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.933 -2.930 19034 5571 1 12 . 1 1 62 62 ILE H H 62 7.272 7.272 8.216 -0.944 19034 5572 1 12 . 1 1 63 63 PHE N N 63 125.445 125.445 124.496 0.949 19034 5573 1 12 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.286 0.014 19034 5574 1 12 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.210 -2.716 19034 5575 1 12 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.373 -2.582 19034 5576 1 12 . 1 1 63 63 PHE H H 63 8.876 8.876 8.524 0.352 19034 5577 1 12 . 1 1 64 64 VAL N N 64 122.504 122.504 122.388 0.116 19034 5578 1 12 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.712 -0.392 19034 5579 1 12 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.395 -2.867 19034 5580 1 12 . 1 1 64 64 VAL CB C 64 32.571 32.571 34.172 -1.601 19034 5581 1 12 . 1 1 64 64 VAL H H 64 9.161 9.161 8.436 0.725 19034 5582 1 12 . 1 1 65 65 GLU N N 65 127.687 127.687 126.902 0.785 19034 5583 1 12 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.320 0.357 19034 5584 1 12 . 1 1 65 65 GLU CA C 65 51.445 51.445 55.175 -3.730 19034 5585 1 12 . 1 1 65 65 GLU CB C 65 28.559 28.559 31.477 -2.918 19034 5586 1 12 . 1 1 65 65 GLU H H 65 8.601 8.601 8.547 0.054 19034 5587 1 12 . 1 1 66 66 PHE N N 66 126.672 126.672 123.417 3.255 19034 5588 1 12 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.261 -0.168 19034 5589 1 12 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.805 -1.620 19034 5590 1 12 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.469 -3.328 19034 5591 1 12 . 1 1 66 66 PHE H H 66 9.352 9.352 8.734 0.618 19034 5592 1 12 . 1 1 67 67 THR N N 67 109.616 109.616 114.150 -4.534 19034 5593 1 12 . 1 1 67 67 THR HA H 67 4.248 4.248 4.124 0.124 19034 5594 1 12 . 1 1 67 67 THR CA C 67 60.963 60.963 64.925 -3.962 19034 5595 1 12 . 1 1 67 67 THR CB C 67 66.974 66.974 69.340 -2.366 19034 5596 1 12 . 1 1 67 67 THR H H 67 9.072 9.072 8.917 0.155 19034 5597 1 12 . 1 1 68 68 SER N N 68 111.776 111.776 112.682 -0.906 19034 5598 1 12 . 1 1 68 68 SER HA H 68 4.922 4.922 4.844 0.078 19034 5599 1 12 . 1 1 68 68 SER CA C 68 53.411 53.411 57.452 -4.041 19034 5600 1 12 . 1 1 68 68 SER CB C 68 63.507 63.507 65.766 -2.259 19034 5601 1 12 . 1 1 68 68 SER H H 68 7.511 7.511 7.538 -0.027 19034 5602 1 12 . 1 1 69 69 VAL N N 69 123.476 123.476 122.881 0.595 19034 5603 1 12 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.758 -0.353 19034 5604 1 12 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.691 -3.103 19034 5605 1 12 . 1 1 69 69 VAL CB C 69 28.878 28.878 32.006 -3.128 19034 5606 1 12 . 1 1 69 69 VAL H H 69 8.854 8.854 9.008 -0.154 19034 5607 1 12 . 1 1 70 70 PHE N N 70 119.530 119.530 114.457 5.073 19034 5608 1 12 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.291 -0.062 19034 5609 1 12 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.172 -2.270 19034 5610 1 12 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.125 -1.862 19034 5611 1 12 . 1 1 70 70 PHE H H 70 7.673 7.673 8.418 -0.745 19034 5612 1 12 . 1 1 71 71 ASP N N 71 120.024 120.024 117.485 2.539 19034 5613 1 12 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.872 -0.696 19034 5614 1 12 . 1 1 71 71 ASP CA C 71 54.306 54.306 55.526 -1.220 19034 5615 1 12 . 1 1 71 71 ASP CB C 71 37.867 37.867 42.828 -4.961 19034 5616 1 12 . 1 1 71 71 ASP H H 71 7.585 7.585 7.893 -0.308 19034 5617 1 12 . 1 1 72 72 CYS N N 72 119.689 119.689 118.608 1.081 19034 5618 1 12 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.213 -0.417 19034 5619 1 12 . 1 1 72 72 CYS CA C 72 57.147 57.147 60.965 -3.817 19034 5620 1 12 . 1 1 72 72 CYS CB C 72 25.349 25.349 28.017 -2.668 19034 5621 1 12 . 1 1 72 72 CYS H H 72 7.087 7.087 7.546 -0.459 19034 5622 1 12 . 1 1 73 73 GLN N N 73 117.350 117.350 120.434 -3.084 19034 5623 1 12 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.082 0.324 19034 5624 1 12 . 1 1 73 73 GLN CA C 73 56.361 56.361 59.494 -3.133 19034 5625 1 12 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.403 -1.520 19034 5626 1 12 . 1 1 73 73 GLN H H 73 8.478 8.478 8.230 0.248 19034 5627 1 12 . 1 1 74 74 LYS N N 74 119.692 119.692 118.718 0.974 19034 5628 1 12 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.099 -0.325 19034 5629 1 12 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.341 -1.514 19034 5630 1 12 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.341 -2.839 19034 5631 1 12 . 1 1 74 74 LYS H H 74 7.468 7.468 7.134 0.334 19034 5632 1 12 . 1 1 75 75 ALA N N 75 124.287 124.287 123.297 0.990 19034 5633 1 12 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.383 -0.788 19034 5634 1 12 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.841 -3.145 19034 5635 1 12 . 1 1 75 75 ALA CB C 75 17.091 17.091 17.944 -0.853 19034 5636 1 12 . 1 1 75 75 ALA H H 75 7.549 7.549 7.433 0.116 19034 5637 1 12 . 1 1 76 76 MET N N 76 118.919 118.919 117.436 1.483 19034 5638 1 12 . 1 1 76 76 MET HA H 76 3.490 3.490 3.694 -0.204 19034 5639 1 12 . 1 1 76 76 MET CA C 76 56.956 56.956 59.713 -2.757 19034 5640 1 12 . 1 1 76 76 MET CB C 76 28.966 28.966 32.396 -3.430 19034 5641 1 12 . 1 1 76 76 MET H H 76 8.700 8.700 8.333 0.367 19034 5642 1 12 . 1 1 77 77 GLN N N 77 118.282 118.282 117.220 1.062 19034 5643 1 12 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.042 -0.186 19034 5644 1 12 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.970 -2.270 19034 5645 1 12 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.692 -2.911 19034 5646 1 12 . 1 1 77 77 GLN H H 77 7.798 7.798 8.024 -0.226 19034 5647 1 12 . 1 1 78 78 GLY N N 78 106.137 106.137 105.518 0.619 19034 5648 1 12 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.027 -2.279 19034 5649 1 12 . 1 1 78 78 GLY H H 78 7.797 7.797 7.885 -0.088 19034 5650 1 12 . 1 1 79 79 LEU N N 79 118.753 118.753 117.779 0.974 19034 5651 1 12 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.630 -0.440 19034 5652 1 12 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.933 -0.670 19034 5653 1 12 . 1 1 79 79 LEU CB C 79 40.914 40.914 43.436 -2.522 19034 5654 1 12 . 1 1 79 79 LEU H H 79 8.039 8.039 7.331 0.708 19034 5655 1 12 . 1 1 80 80 THR N N 80 114.360 114.360 118.245 -3.885 19034 5656 1 12 . 1 1 80 80 THR HA H 80 3.550 3.550 4.092 -0.542 19034 5657 1 12 . 1 1 80 80 THR CA C 80 63.539 63.539 64.941 -1.402 19034 5658 1 12 . 1 1 80 80 THR CB C 80 66.102 66.102 67.958 -1.856 19034 5659 1 12 . 1 1 80 80 THR H H 80 7.177 7.177 7.684 -0.507 19034 5660 1 12 . 1 1 81 81 GLY N N 81 115.554 115.554 116.416 -0.862 19034 5661 1 12 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.892 -1.899 19034 5662 1 12 . 1 1 81 81 GLY H H 81 8.680 8.680 8.544 0.136 19034 5663 1 12 . 1 1 82 82 ARG N N 82 120.945 120.945 121.892 -0.947 19034 5664 1 12 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.339 -0.246 19034 5665 1 12 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.910 -3.464 19034 5666 1 12 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.421 -3.273 19034 5667 1 12 . 1 1 82 82 ARG H H 82 7.520 7.520 7.844 -0.324 19034 5668 1 12 . 1 1 83 83 LYS N N 83 121.584 121.584 119.922 1.662 19034 5669 1 12 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.076 -0.068 19034 5670 1 12 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.395 -2.673 19034 5671 1 12 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.009 -1.419 19034 5672 1 12 . 1 1 83 83 LYS H H 83 8.165 8.165 8.593 -0.428 19034 5673 1 12 . 1 1 84 84 PHE N N 84 125.104 125.104 121.481 3.623 19034 5674 1 12 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.630 -0.193 19034 5675 1 12 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.528 -2.755 19034 5676 1 12 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.244 0.843 19034 5677 1 12 . 1 1 84 84 PHE H H 84 8.656 8.656 8.839 -0.183 19034 5678 1 12 . 1 1 85 85 ALA N N 85 127.849 127.849 121.622 6.227 19034 5679 1 12 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.379 -0.611 19034 5680 1 12 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.553 -1.505 19034 5681 1 12 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.561 -5.439 19034 5682 1 12 . 1 1 85 85 ALA H H 85 8.831 8.831 7.861 0.970 19034 5683 1 12 . 1 1 86 86 ASN N N 86 113.065 113.065 117.833 -4.768 19034 5684 1 12 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.949 -0.590 19034 5685 1 12 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.154 -1.745 19034 5686 1 12 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.517 -4.795 19034 5687 1 12 . 1 1 86 86 ASN H H 86 8.406 8.406 8.648 -0.242 19034 5688 1 12 . 1 1 87 87 ARG N N 87 121.167 121.167 119.316 1.851 19034 5689 1 12 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.615 -0.094 19034 5690 1 12 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.432 -1.647 19034 5691 1 12 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.944 -3.064 19034 5692 1 12 . 1 1 87 87 ARG H H 87 8.250 8.250 7.719 0.531 19034 5693 1 12 . 1 1 88 88 VAL N N 88 121.437 121.437 122.075 -0.638 19034 5694 1 12 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.102 0.172 19034 5695 1 12 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.150 -2.869 19034 5696 1 12 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.391 -1.101 19034 5697 1 12 . 1 1 88 88 VAL H H 88 8.279 8.279 8.447 -0.168 19034 5698 1 12 . 1 1 89 89 VAL N N 89 127.754 127.754 128.923 -1.169 19034 5699 1 12 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.149 -0.037 19034 5700 1 12 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.026 -0.895 19034 5701 1 12 . 1 1 89 89 VAL CB C 89 30.108 30.108 31.187 -1.079 19034 5702 1 12 . 1 1 89 89 VAL H H 89 8.601 8.601 8.563 0.038 19034 5703 1 12 . 1 1 90 90 VAL N N 90 127.874 127.874 127.664 0.210 19034 5704 1 12 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.467 -0.146 19034 5705 1 12 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.675 -1.186 19034 5706 1 12 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.430 -2.084 19034 5707 1 12 . 1 1 90 90 VAL H H 90 7.866 7.866 7.827 0.039 19034 5708 1 12 . 1 1 91 91 THR N N 91 114.187 114.187 113.994 0.193 19034 5709 1 12 . 1 1 91 91 THR HA H 91 5.528 5.528 5.204 0.324 19034 5710 1 12 . 1 1 91 91 THR CA C 91 56.193 56.193 59.685 -3.492 19034 5711 1 12 . 1 1 91 91 THR CB C 91 69.553 69.553 71.405 -1.852 19034 5712 1 12 . 1 1 91 91 THR H H 91 8.119 8.119 8.046 0.073 19034 5713 1 12 . 1 1 92 92 LYS N N 92 116.111 116.111 119.256 -3.145 19034 5714 1 12 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.394 -0.048 19034 5715 1 12 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.302 -2.648 19034 5716 1 12 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.040 -3.153 19034 5717 1 12 . 1 1 92 92 LYS H H 92 8.199 8.199 8.419 -0.220 19034 5718 1 12 . 1 1 93 93 TYR N N 93 121.017 121.017 119.357 1.660 19034 5719 1 12 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.570 0.390 19034 5720 1 12 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.226 -2.816 19034 5721 1 12 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.175 -2.635 19034 5722 1 12 . 1 1 93 93 TYR H H 93 8.450 8.450 8.406 0.044 19034 5723 1 12 . 1 1 94 94 CYS N N 94 119.566 119.566 120.290 -0.724 19034 5724 1 12 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.670 0.142 19034 5725 1 12 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.065 -3.064 19034 5726 1 12 . 1 1 94 94 CYS CB C 94 27.586 27.586 29.423 -1.837 19034 5727 1 12 . 1 1 94 94 CYS H H 94 8.614 8.614 8.872 -0.258 19034 5728 1 12 . 1 1 95 95 ASP N N 95 128.707 128.707 121.037 7.670 19034 5729 1 12 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.983 -0.146 19034 5730 1 12 . 1 1 95 95 ASP CA C 95 50.010 50.010 53.192 -3.182 19034 5731 1 12 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.966 -2.250 19034 5732 1 12 . 1 1 95 95 ASP H H 95 8.969 8.969 8.594 0.375 19034 5733 1 12 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.776 -3.041 19034 5734 1 12 . 1 1 97 97 ASP N N 97 118.102 118.102 120.146 -2.044 19034 5735 1 12 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.507 -0.078 19034 5736 1 12 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.705 -2.664 19034 5737 1 12 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.446 -2.687 19034 5738 1 12 . 1 1 97 97 ASP H H 97 8.189 8.189 8.666 -0.477 19034 5739 1 12 . 1 1 98 98 SER N N 98 116.394 116.394 114.938 1.456 19034 5740 1 12 . 1 1 98 98 SER HA H 98 3.961 3.961 4.306 -0.345 19034 5741 1 12 . 1 1 98 98 SER CA C 98 59.519 59.519 60.424 -0.905 19034 5742 1 12 . 1 1 98 98 SER H H 98 7.792 7.792 8.631 -0.839 19034 5743 1 12 . 1 1 99 99 TYR N N 99 121.890 121.890 123.435 -1.545 19034 5744 1 12 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.273 -0.531 19034 5745 1 12 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.821 -2.024 19034 5746 1 12 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.315 -3.140 19034 5747 1 12 . 1 1 99 99 TYR H H 99 7.625 7.625 7.562 0.063 19034 5748 1 12 . 1 1 100 100 HIS N N 100 118.065 118.065 117.090 0.975 19034 5749 1 12 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.514 -0.384 19034 5750 1 12 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.989 -3.381 19034 5751 1 12 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.353 -4.559 19034 5752 1 12 . 1 1 100 100 HIS H H 100 8.425 8.425 7.734 0.691 19034 5753 1 12 . 1 1 101 101 ARG N N 101 116.756 116.756 119.475 -2.719 19034 5754 1 12 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.378 -0.277 19034 5755 1 12 . 1 1 101 101 ARG CA C 101 53.641 53.641 55.596 -1.955 19034 5756 1 12 . 1 1 101 101 ARG CB C 101 28.109 28.109 30.909 -2.800 19034 5757 1 12 . 1 1 101 101 ARG H H 101 7.406 7.406 7.880 -0.474 19034 5758 1 12 . 1 1 102 102 ARG N N 102 115.254 115.254 121.209 -5.955 19034 5759 1 12 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.170 -0.870 19034 5760 1 12 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.345 -1.759 19034 5761 1 12 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.063 -3.979 19034 5762 1 12 . 1 1 102 102 ARG H H 102 7.297 7.297 8.494 -1.197 19034 5763 1 12 . 1 1 103 103 ASP N N 103 119.588 119.588 123.187 -3.599 19034 5764 1 12 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.529 -0.183 19034 5765 1 12 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.710 -3.129 19034 5766 1 12 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.765 -3.016 19034 5767 1 12 . 1 1 103 103 ASP H H 103 7.467 7.467 7.358 0.109 19034 5768 1 12 . 1 1 104 104 PHE N N 104 120.438 120.438 122.104 -1.666 19034 5769 1 12 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.662 -0.322 19034 5770 1 12 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.782 -4.081 19034 5771 1 12 . 1 1 104 104 PHE CB C 104 36.842 36.842 38.282 -1.440 19034 5772 1 12 . 1 1 104 104 PHE H H 104 7.138 7.138 7.467 -0.329 19034 5773 1 13 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.304 -2.847 19034 5774 1 13 . 1 1 3 3 HIS N N 3 118.891 118.891 116.959 1.932 19034 5775 1 13 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.802 0.031 19034 5776 1 13 . 1 1 3 3 HIS CA C 3 50.518 50.518 52.944 -2.426 19034 5777 1 13 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.670 -3.258 19034 5778 1 13 . 1 1 3 3 HIS H H 3 8.079 8.079 7.758 0.321 19034 5779 1 13 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.932 -1.916 19034 5780 1 13 . 1 1 4 4 PRO CA C 4 59.967 59.967 63.048 -3.082 19034 5781 1 13 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.682 -1.744 19034 5782 1 13 . 1 1 5 5 THR N N 5 113.236 113.236 112.705 0.531 19034 5783 1 13 . 1 1 5 5 THR HA H 5 4.430 4.430 4.511 -0.081 19034 5784 1 13 . 1 1 5 5 THR CA C 5 56.748 56.748 59.649 -2.901 19034 5785 1 13 . 1 1 5 5 THR CB C 5 69.859 69.859 72.042 -2.183 19034 5786 1 13 . 1 1 5 5 THR H H 5 6.242 6.242 7.338 -1.096 19034 5787 1 13 . 1 1 6 6 GLU N N 6 114.417 114.417 119.661 -5.244 19034 5788 1 13 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.229 -0.054 19034 5789 1 13 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.448 -2.024 19034 5790 1 13 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.334 -3.205 19034 5791 1 13 . 1 1 6 6 GLU H H 6 10.185 10.185 8.769 1.416 19034 5792 1 13 . 1 1 7 7 VAL N N 7 119.290 119.290 120.833 -1.543 19034 5793 1 13 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.375 0.663 19034 5794 1 13 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.001 -2.725 19034 5795 1 13 . 1 1 7 7 VAL CB C 7 30.522 30.522 31.616 -1.093 19034 5796 1 13 . 1 1 7 7 VAL H H 7 8.270 8.270 7.224 1.046 19034 5797 1 13 . 1 1 8 8 LEU N N 8 130.138 130.138 127.665 2.473 19034 5798 1 13 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.456 0.185 19034 5799 1 13 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.605 -4.817 19034 5800 1 13 . 1 1 8 8 LEU CB C 8 43.885 43.885 43.755 0.129 19034 5801 1 13 . 1 1 8 8 LEU H H 8 9.316 9.316 9.066 0.250 19034 5802 1 13 . 1 1 9 9 CYS N N 9 123.769 123.769 126.637 -2.868 19034 5803 1 13 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.712 0.327 19034 5804 1 13 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.448 -4.200 19034 5805 1 13 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.598 -2.370 19034 5806 1 13 . 1 1 9 9 CYS H H 9 8.902 8.902 9.015 -0.113 19034 5807 1 13 . 1 1 10 10 LEU N N 10 127.313 127.313 129.257 -1.944 19034 5808 1 13 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.137 -0.553 19034 5809 1 13 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.160 -1.792 19034 5810 1 13 . 1 1 10 10 LEU CB C 10 40.709 40.709 42.252 -1.543 19034 5811 1 13 . 1 1 10 10 LEU H H 10 9.203 9.203 8.930 0.273 19034 5812 1 13 . 1 1 11 11 MET N N 11 124.158 124.158 122.951 1.207 19034 5813 1 13 . 1 1 11 11 MET HA H 11 4.481 4.481 4.596 -0.115 19034 5814 1 13 . 1 1 11 11 MET CA C 11 52.655 52.655 56.196 -3.541 19034 5815 1 13 . 1 1 11 11 MET CB C 11 33.156 33.156 34.025 -0.869 19034 5816 1 13 . 1 1 11 11 MET H H 11 9.161 9.161 8.336 0.825 19034 5817 1 13 . 1 1 12 12 ASN N N 12 114.067 114.067 113.144 0.923 19034 5818 1 13 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.277 0.004 19034 5819 1 13 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.969 -3.284 19034 5820 1 13 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.369 -1.055 19034 5821 1 13 . 1 1 12 12 ASN H H 12 8.842 8.842 8.853 -0.011 19034 5822 1 13 . 1 1 13 13 MET N N 13 118.202 118.202 118.242 -0.040 19034 5823 1 13 . 1 1 13 13 MET HA H 13 3.952 3.952 4.170 -0.218 19034 5824 1 13 . 1 1 13 13 MET CA C 13 55.132 55.132 59.405 -4.273 19034 5825 1 13 . 1 1 13 13 MET CB C 13 31.944 31.944 33.641 -1.696 19034 5826 1 13 . 1 1 13 13 MET H H 13 8.519 8.519 7.441 1.078 19034 5827 1 13 . 1 1 14 14 VAL N N 14 110.436 110.436 110.094 0.342 19034 5828 1 13 . 1 1 14 14 VAL HA H 14 4.452 4.452 5.262 -0.810 19034 5829 1 13 . 1 1 14 14 VAL CA C 14 55.821 55.821 58.818 -2.997 19034 5830 1 13 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.953 -2.199 19034 5831 1 13 . 1 1 14 14 VAL H H 14 6.949 6.949 7.355 -0.406 19034 5832 1 13 . 1 1 15 15 LEU N N 15 123.248 123.248 120.088 3.160 19034 5833 1 13 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.820 -0.041 19034 5834 1 13 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.806 -2.925 19034 5835 1 13 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.677 -2.177 19034 5836 1 13 . 1 1 15 15 LEU H H 15 8.346 8.346 8.578 -0.232 19034 5837 1 13 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.455 -0.572 19034 5838 1 13 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.023 -7.918 19034 5839 1 13 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.778 -2.265 19034 5840 1 13 . 1 1 17 17 GLU N N 17 119.496 119.496 115.324 4.172 19034 5841 1 13 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.528 -0.417 19034 5842 1 13 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.152 -1.657 19034 5843 1 13 . 1 1 17 17 GLU CB C 17 26.888 26.888 28.997 -2.109 19034 5844 1 13 . 1 1 17 17 GLU H H 17 7.754 7.754 8.598 -0.844 19034 5845 1 13 . 1 1 18 18 GLU N N 18 112.697 112.697 118.098 -5.401 19034 5846 1 13 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.553 -0.575 19034 5847 1 13 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.875 0.410 19034 5848 1 13 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.243 -4.167 19034 5849 1 13 . 1 1 18 18 GLU H H 18 8.975 8.975 7.697 1.278 19034 5850 1 13 . 1 1 19 19 LEU N N 19 113.096 113.096 120.317 -7.221 19034 5851 1 13 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.742 -0.323 19034 5852 1 13 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.563 -3.615 19034 5853 1 13 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.587 -2.244 19034 5854 1 13 . 1 1 19 19 LEU H H 19 7.266 7.266 8.093 -0.827 19034 5855 1 13 . 1 1 20 20 LEU N N 20 119.130 119.130 118.942 0.188 19034 5856 1 13 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.567 -0.529 19034 5857 1 13 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.675 -0.673 19034 5858 1 13 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.782 -1.516 19034 5859 1 13 . 1 1 20 20 LEU H H 20 7.102 7.102 8.023 -0.921 19034 5860 1 13 . 1 1 21 21 ASP N N 21 120.713 120.713 120.890 -0.177 19034 5861 1 13 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.908 -0.301 19034 5862 1 13 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.845 -3.039 19034 5863 1 13 . 1 1 21 21 ASP CB C 21 40.567 40.567 42.911 -2.344 19034 5864 1 13 . 1 1 21 21 ASP H H 21 8.071 8.071 7.969 0.102 19034 5865 1 13 . 1 1 22 22 ASP N N 22 126.353 126.353 124.183 2.170 19034 5866 1 13 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.477 -0.235 19034 5867 1 13 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.456 -0.806 19034 5868 1 13 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.266 -3.183 19034 5869 1 13 . 1 1 22 22 ASP H H 22 8.835 8.835 8.870 -0.035 19034 5870 1 13 . 1 1 23 23 GLU N N 23 119.623 119.623 119.679 -0.056 19034 5871 1 13 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.071 -0.005 19034 5872 1 13 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.012 -2.172 19034 5873 1 13 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.571 -3.159 19034 5874 1 13 . 1 1 23 23 GLU H H 23 8.177 8.177 8.447 -0.270 19034 5875 1 13 . 1 1 24 24 GLU N N 24 121.959 121.959 119.930 2.029 19034 5876 1 13 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.082 -0.086 19034 5877 1 13 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.983 -2.622 19034 5878 1 13 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.248 -2.791 19034 5879 1 13 . 1 1 24 24 GLU H H 24 8.218 8.218 8.428 -0.210 19034 5880 1 13 . 1 1 25 25 TYR N N 25 119.522 119.522 120.656 -1.134 19034 5881 1 13 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.064 -0.113 19034 5882 1 13 . 1 1 25 25 TYR CA C 25 59.647 59.647 62.052 -2.405 19034 5883 1 13 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.509 -2.504 19034 5884 1 13 . 1 1 25 25 TYR H H 25 8.694 8.694 7.878 0.816 19034 5885 1 13 . 1 1 26 26 GLU N N 26 116.410 116.410 117.266 -0.856 19034 5886 1 13 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.130 -0.428 19034 5887 1 13 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.303 -2.974 19034 5888 1 13 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.274 -3.096 19034 5889 1 13 . 1 1 26 26 GLU H H 26 7.852 7.852 7.822 0.030 19034 5890 1 13 . 1 1 27 27 GLU N N 27 118.895 118.895 120.083 -1.188 19034 5891 1 13 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.063 -0.142 19034 5892 1 13 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.057 -2.612 19034 5893 1 13 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.264 -3.023 19034 5894 1 13 . 1 1 27 27 GLU H H 27 7.555 7.555 7.557 -0.002 19034 5895 1 13 . 1 1 28 28 ILE N N 28 121.720 121.720 119.981 1.739 19034 5896 1 13 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.665 -0.023 19034 5897 1 13 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.119 -2.764 19034 5898 1 13 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.769 -2.703 19034 5899 1 13 . 1 1 28 28 ILE H H 28 7.918 7.918 8.081 -0.163 19034 5900 1 13 . 1 1 29 29 VAL N N 29 119.336 119.336 120.193 -0.857 19034 5901 1 13 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.397 -0.362 19034 5902 1 13 . 1 1 29 29 VAL CA C 29 64.607 64.607 67.440 -2.833 19034 5903 1 13 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.212 -2.148 19034 5904 1 13 . 1 1 29 29 VAL H H 29 7.832 7.832 7.991 -0.159 19034 5905 1 13 . 1 1 30 30 GLU N N 30 116.291 116.291 118.624 -2.333 19034 5906 1 13 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.009 -0.132 19034 5907 1 13 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.363 -3.302 19034 5908 1 13 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.337 -3.226 19034 5909 1 13 . 1 1 30 30 GLU H H 30 7.405 7.405 7.931 -0.526 19034 5910 1 13 . 1 1 31 31 ASP N N 31 120.811 120.811 120.757 0.054 19034 5911 1 13 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.417 -0.043 19034 5912 1 13 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.088 -2.556 19034 5913 1 13 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.948 -3.663 19034 5914 1 13 . 1 1 31 31 ASP H H 31 8.471 8.471 8.240 0.231 19034 5915 1 13 . 1 1 32 32 VAL N N 32 121.006 121.006 120.288 0.718 19034 5916 1 13 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.516 -0.105 19034 5917 1 13 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.802 -1.587 19034 5918 1 13 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.688 -3.143 19034 5919 1 13 . 1 1 32 32 VAL H H 32 8.655 8.655 8.149 0.506 19034 5920 1 13 . 1 1 33 33 ARG N N 33 122.143 122.143 119.833 2.310 19034 5921 1 13 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.936 -0.443 19034 5922 1 13 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.526 -1.095 19034 5923 1 13 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.757 -2.525 19034 5924 1 13 . 1 1 33 33 ARG H H 33 8.507 8.507 8.120 0.387 19034 5925 1 13 . 1 1 34 34 ASP N N 34 120.971 120.971 117.375 3.596 19034 5926 1 13 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.427 -0.171 19034 5927 1 13 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.446 -2.346 19034 5928 1 13 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.746 -2.670 19034 5929 1 13 . 1 1 34 34 ASP H H 34 8.633 8.633 7.603 1.030 19034 5930 1 13 . 1 1 35 35 GLU N N 35 119.918 119.918 119.683 0.235 19034 5931 1 13 . 1 1 35 35 GLU HA H 35 4.064 4.064 3.986 0.078 19034 5932 1 13 . 1 1 35 35 GLU CA C 35 56.431 56.431 59.185 -2.754 19034 5933 1 13 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.072 -2.212 19034 5934 1 13 . 1 1 35 35 GLU H H 35 8.184 8.184 7.890 0.294 19034 5935 1 13 . 1 1 36 36 CYS N N 36 114.288 114.288 116.518 -2.230 19034 5936 1 13 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.729 -0.355 19034 5937 1 13 . 1 1 36 36 CYS CA C 36 62.543 62.543 60.222 2.321 19034 5938 1 13 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.784 -2.874 19034 5939 1 13 . 1 1 36 36 CYS H H 36 8.584 8.584 8.054 0.530 19034 5940 1 13 . 1 1 37 37 SER N N 37 114.987 114.987 118.100 -3.113 19034 5941 1 13 . 1 1 37 37 SER HA H 37 5.135 5.135 4.181 0.954 19034 5942 1 13 . 1 1 37 37 SER CA C 37 58.124 58.124 61.401 -3.277 19034 5943 1 13 . 1 1 37 37 SER CB C 37 60.481 60.481 62.808 -2.327 19034 5944 1 13 . 1 1 37 37 SER H H 37 8.164 8.164 8.419 -0.255 19034 5945 1 13 . 1 1 38 38 LYS N N 38 119.574 119.574 119.480 0.094 19034 5946 1 13 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.980 -0.176 19034 5947 1 13 . 1 1 38 38 LYS CA C 38 55.490 55.490 57.993 -2.503 19034 5948 1 13 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.438 -3.067 19034 5949 1 13 . 1 1 38 38 LYS H H 38 7.111 7.111 7.519 -0.408 19034 5950 1 13 . 1 1 39 39 TYR N N 39 116.372 116.372 118.805 -2.433 19034 5951 1 13 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.671 -0.367 19034 5952 1 13 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.384 -1.460 19034 5953 1 13 . 1 1 39 39 TYR CB C 39 37.122 37.122 37.816 -0.694 19034 5954 1 13 . 1 1 39 39 TYR H H 39 7.576 7.576 7.768 -0.192 19034 5955 1 13 . 1 1 40 40 GLY N N 40 103.718 103.718 110.285 -6.567 19034 5956 1 13 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.083 -2.897 19034 5957 1 13 . 1 1 40 40 GLY H H 40 7.380 7.380 7.911 -0.531 19034 5958 1 13 . 1 1 41 41 LEU N N 41 118.877 118.877 123.991 -5.114 19034 5959 1 13 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.805 -0.473 19034 5960 1 13 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.356 -1.286 19034 5961 1 13 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.364 -4.404 19034 5962 1 13 . 1 1 41 41 LEU H H 41 8.260 8.260 8.690 -0.430 19034 5963 1 13 . 1 1 42 42 VAL N N 42 127.032 127.032 126.759 0.273 19034 5964 1 13 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.527 -0.020 19034 5965 1 13 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.928 -2.980 19034 5966 1 13 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.673 -1.671 19034 5967 1 13 . 1 1 42 42 VAL H H 42 8.598 8.598 8.602 -0.004 19034 5968 1 13 . 1 1 43 43 LYS N N 43 130.977 130.977 128.328 2.649 19034 5969 1 13 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.135 -0.009 19034 5970 1 13 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.082 -3.060 19034 5971 1 13 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.421 -1.328 19034 5972 1 13 . 1 1 43 43 LYS H H 43 9.307 9.307 8.721 0.586 19034 5973 1 13 . 1 1 44 44 SER N N 44 110.453 110.453 109.402 1.051 19034 5974 1 13 . 1 1 44 44 SER HA H 44 4.492 4.492 4.570 -0.078 19034 5975 1 13 . 1 1 44 44 SER CA C 44 55.890 55.890 58.224 -2.334 19034 5976 1 13 . 1 1 44 44 SER CB C 44 62.940 62.940 64.908 -1.968 19034 5977 1 13 . 1 1 44 44 SER H H 44 7.938 7.938 7.427 0.511 19034 5978 1 13 . 1 1 45 45 ILE N N 45 118.542 118.542 123.115 -4.573 19034 5979 1 13 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.840 0.210 19034 5980 1 13 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.336 -2.805 19034 5981 1 13 . 1 1 45 45 ILE CB C 45 40.320 40.320 40.289 0.031 19034 5982 1 13 . 1 1 45 45 ILE H H 45 8.136 8.136 8.618 -0.482 19034 5983 1 13 . 1 1 46 46 GLU N N 46 125.456 125.456 128.037 -2.581 19034 5984 1 13 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.560 0.140 19034 5985 1 13 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.510 -3.043 19034 5986 1 13 . 1 1 46 46 GLU CB C 46 30.763 30.763 30.793 -0.030 19034 5987 1 13 . 1 1 46 46 GLU H H 46 9.364 9.364 9.309 0.055 19034 5988 1 13 . 1 1 47 47 ILE N N 47 122.471 122.471 125.861 -3.390 19034 5989 1 13 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.724 -0.019 19034 5990 1 13 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.607 -2.272 19034 5991 1 13 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.090 -1.302 19034 5992 1 13 . 1 1 47 47 ILE H H 47 8.672 8.672 8.258 0.414 19034 5993 1 13 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.552 -1.676 19034 5994 1 13 . 1 1 49 49 ARG N N 49 120.907 120.907 113.606 7.301 19034 5995 1 13 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.025 0.682 19034 5996 1 13 . 1 1 49 49 ARG CB C 49 29.928 29.928 27.671 2.257 19034 5997 1 13 . 1 1 49 49 ARG H H 49 7.944 7.944 8.033 -0.089 19034 5998 1 13 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.419 -0.027 19034 5999 1 13 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.596 -1.968 19034 6000 1 13 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.482 -2.856 19034 6001 1 13 . 1 1 51 51 VAL N N 51 121.425 121.425 119.815 1.610 19034 6002 1 13 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.335 -0.348 19034 6003 1 13 . 1 1 51 51 VAL CA C 51 58.857 58.857 60.864 -2.007 19034 6004 1 13 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.501 -1.263 19034 6005 1 13 . 1 1 51 51 VAL H H 51 7.992 7.992 7.971 0.021 19034 6006 1 13 . 1 1 52 52 ASP N N 52 127.160 127.160 129.413 -2.253 19034 6007 1 13 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.259 -0.022 19034 6008 1 13 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.143 -1.855 19034 6009 1 13 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.479 -2.529 19034 6010 1 13 . 1 1 52 52 ASP H H 52 8.746 8.746 9.063 -0.317 19034 6011 1 13 . 1 1 53 53 GLY N N 53 108.483 108.483 103.785 4.698 19034 6012 1 13 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.990 -2.016 19034 6013 1 13 . 1 1 53 53 GLY H H 53 8.589 8.589 8.353 0.236 19034 6014 1 13 . 1 1 54 54 VAL N N 54 120.874 120.874 121.937 -1.063 19034 6015 1 13 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.220 -0.061 19034 6016 1 13 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.559 -3.070 19034 6017 1 13 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.028 -0.995 19034 6018 1 13 . 1 1 54 54 VAL H H 54 7.804 7.804 7.720 0.084 19034 6019 1 13 . 1 1 55 55 GLU N N 55 126.140 126.140 125.579 0.561 19034 6020 1 13 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.257 -0.084 19034 6021 1 13 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.561 -2.865 19034 6022 1 13 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.243 -3.483 19034 6023 1 13 . 1 1 55 55 GLU H H 55 8.578 8.578 8.609 -0.031 19034 6024 1 13 . 1 1 56 56 VAL N N 56 124.648 124.648 117.533 7.115 19034 6025 1 13 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.573 -0.218 19034 6026 1 13 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.746 -0.676 19034 6027 1 13 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.849 -4.043 19034 6028 1 13 . 1 1 56 56 VAL H H 56 7.661 7.661 8.016 -0.355 19034 6029 1 13 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.529 -0.412 19034 6030 1 13 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.889 -2.648 19034 6031 1 13 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.158 -2.913 19034 6032 1 13 . 1 1 58 58 GLY N N 58 109.755 109.755 111.588 -1.833 19034 6033 1 13 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.813 -1.966 19034 6034 1 13 . 1 1 58 58 GLY H H 58 8.577 8.577 8.564 0.013 19034 6035 1 13 . 1 1 59 59 CYS N N 59 118.400 118.400 122.544 -4.144 19034 6036 1 13 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.388 -0.333 19034 6037 1 13 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.197 -1.873 19034 6038 1 13 . 1 1 59 59 CYS CB C 59 24.178 24.178 27.861 -3.683 19034 6039 1 13 . 1 1 59 59 CYS H H 59 7.631 7.631 7.792 -0.161 19034 6040 1 13 . 1 1 60 60 GLY N N 60 119.002 119.002 116.253 2.749 19034 6041 1 13 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.590 -3.451 19034 6042 1 13 . 1 1 60 60 GLY H H 60 10.447 10.447 8.768 1.679 19034 6043 1 13 . 1 1 61 61 LYS N N 61 122.250 122.250 121.066 1.184 19034 6044 1 13 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.422 -0.091 19034 6045 1 13 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.387 -2.443 19034 6046 1 13 . 1 1 61 61 LYS CB C 61 33.173 33.173 32.614 0.559 19034 6047 1 13 . 1 1 61 61 LYS H H 61 8.233 8.233 7.371 0.862 19034 6048 1 13 . 1 1 62 62 ILE N N 62 118.312 118.312 123.585 -5.273 19034 6049 1 13 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.758 -0.462 19034 6050 1 13 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.026 -1.640 19034 6051 1 13 . 1 1 62 62 ILE CB C 62 39.003 39.003 40.225 -1.222 19034 6052 1 13 . 1 1 62 62 ILE H H 62 7.272 7.272 8.344 -1.072 19034 6053 1 13 . 1 1 63 63 PHE N N 63 125.445 125.445 123.915 1.530 19034 6054 1 13 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.495 -0.195 19034 6055 1 13 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.264 -2.770 19034 6056 1 13 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.408 -2.617 19034 6057 1 13 . 1 1 63 63 PHE H H 63 8.876 8.876 8.771 0.105 19034 6058 1 13 . 1 1 64 64 VAL N N 64 122.504 122.504 123.094 -0.590 19034 6059 1 13 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.980 -0.660 19034 6060 1 13 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.646 -1.118 19034 6061 1 13 . 1 1 64 64 VAL CB C 64 32.571 32.571 34.939 -2.368 19034 6062 1 13 . 1 1 64 64 VAL H H 64 9.161 9.161 9.234 -0.073 19034 6063 1 13 . 1 1 65 65 GLU N N 65 127.687 127.687 128.981 -1.294 19034 6064 1 13 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.755 -0.078 19034 6065 1 13 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.991 -3.546 19034 6066 1 13 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.312 -3.753 19034 6067 1 13 . 1 1 65 65 GLU H H 65 8.601 8.601 8.653 -0.052 19034 6068 1 13 . 1 1 66 66 PHE N N 66 126.672 126.672 120.916 5.756 19034 6069 1 13 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.269 -0.176 19034 6070 1 13 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.624 -1.439 19034 6071 1 13 . 1 1 66 66 PHE CB C 66 39.141 39.141 43.160 -4.019 19034 6072 1 13 . 1 1 66 66 PHE H H 66 9.352 9.352 8.102 1.250 19034 6073 1 13 . 1 1 67 67 THR N N 67 109.616 109.616 112.838 -3.222 19034 6074 1 13 . 1 1 67 67 THR HA H 67 4.248 4.248 4.264 -0.016 19034 6075 1 13 . 1 1 67 67 THR CA C 67 60.963 60.963 63.418 -2.455 19034 6076 1 13 . 1 1 67 67 THR CB C 67 66.974 66.974 69.358 -2.384 19034 6077 1 13 . 1 1 67 67 THR H H 67 9.072 9.072 8.611 0.461 19034 6078 1 13 . 1 1 68 68 SER N N 68 111.776 111.776 114.001 -2.225 19034 6079 1 13 . 1 1 68 68 SER HA H 68 4.922 4.922 4.703 0.219 19034 6080 1 13 . 1 1 68 68 SER CA C 68 53.411 53.411 57.078 -3.667 19034 6081 1 13 . 1 1 68 68 SER CB C 68 63.507 63.507 65.742 -2.235 19034 6082 1 13 . 1 1 68 68 SER H H 68 7.511 7.511 7.572 -0.061 19034 6083 1 13 . 1 1 69 69 VAL N N 69 123.476 123.476 121.431 2.045 19034 6084 1 13 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.848 -0.443 19034 6085 1 13 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.339 -2.751 19034 6086 1 13 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.581 -2.703 19034 6087 1 13 . 1 1 69 69 VAL H H 69 8.854 8.854 9.012 -0.158 19034 6088 1 13 . 1 1 70 70 PHE N N 70 119.530 119.530 117.397 2.133 19034 6089 1 13 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.342 -0.113 19034 6090 1 13 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.938 -3.036 19034 6091 1 13 . 1 1 70 70 PHE CB C 70 36.263 36.263 39.795 -3.533 19034 6092 1 13 . 1 1 70 70 PHE H H 70 7.673 7.673 7.461 0.212 19034 6093 1 13 . 1 1 71 71 ASP N N 71 120.024 120.024 119.881 0.143 19034 6094 1 13 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.567 -0.391 19034 6095 1 13 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.473 -3.167 19034 6096 1 13 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.391 -3.524 19034 6097 1 13 . 1 1 71 71 ASP H H 71 7.585 7.585 7.662 -0.077 19034 6098 1 13 . 1 1 72 72 CYS N N 72 119.689 119.689 116.249 3.440 19034 6099 1 13 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.267 -0.471 19034 6100 1 13 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.261 -4.114 19034 6101 1 13 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.325 -1.976 19034 6102 1 13 . 1 1 72 72 CYS H H 72 7.087 7.087 7.326 -0.239 19034 6103 1 13 . 1 1 73 73 GLN N N 73 117.350 117.350 119.176 -1.826 19034 6104 1 13 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.176 0.230 19034 6105 1 13 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.069 -1.708 19034 6106 1 13 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.453 -1.570 19034 6107 1 13 . 1 1 73 73 GLN H H 73 8.478 8.478 8.066 0.412 19034 6108 1 13 . 1 1 74 74 LYS N N 74 119.692 119.692 117.553 2.139 19034 6109 1 13 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.448 -0.674 19034 6110 1 13 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.040 -1.213 19034 6111 1 13 . 1 1 74 74 LYS CB C 74 29.502 29.502 33.337 -3.834 19034 6112 1 13 . 1 1 74 74 LYS H H 74 7.468 7.468 7.759 -0.291 19034 6113 1 13 . 1 1 75 75 ALA N N 75 124.287 124.287 123.776 0.511 19034 6114 1 13 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.409 -0.814 19034 6115 1 13 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.227 -3.531 19034 6116 1 13 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.391 -1.300 19034 6117 1 13 . 1 1 75 75 ALA H H 75 7.549 7.549 7.901 -0.352 19034 6118 1 13 . 1 1 76 76 MET N N 76 118.919 118.919 116.639 2.280 19034 6119 1 13 . 1 1 76 76 MET HA H 76 3.490 3.490 3.962 -0.472 19034 6120 1 13 . 1 1 76 76 MET CA C 76 56.956 56.956 58.219 -1.263 19034 6121 1 13 . 1 1 76 76 MET CB C 76 28.966 28.966 31.768 -2.802 19034 6122 1 13 . 1 1 76 76 MET H H 76 8.700 8.700 8.265 0.435 19034 6123 1 13 . 1 1 77 77 GLN N N 77 118.282 118.282 118.616 -0.334 19034 6124 1 13 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.514 -0.658 19034 6125 1 13 . 1 1 77 77 GLN CA C 77 55.700 55.700 56.969 -1.269 19034 6126 1 13 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.600 -2.819 19034 6127 1 13 . 1 1 77 77 GLN H H 77 7.798 7.798 7.558 0.240 19034 6128 1 13 . 1 1 78 78 GLY N N 78 106.137 106.137 109.442 -3.305 19034 6129 1 13 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.806 -3.058 19034 6130 1 13 . 1 1 78 78 GLY H H 78 7.797 7.797 8.101 -0.304 19034 6131 1 13 . 1 1 79 79 LEU N N 79 118.753 118.753 119.176 -0.423 19034 6132 1 13 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.645 -0.455 19034 6133 1 13 . 1 1 79 79 LEU CA C 79 53.263 53.263 52.969 0.294 19034 6134 1 13 . 1 1 79 79 LEU CB C 79 40.914 40.914 41.912 -0.998 19034 6135 1 13 . 1 1 79 79 LEU H H 79 8.039 8.039 7.479 0.560 19034 6136 1 13 . 1 1 80 80 THR N N 80 114.360 114.360 118.045 -3.685 19034 6137 1 13 . 1 1 80 80 THR HA H 80 3.550 3.550 4.065 -0.515 19034 6138 1 13 . 1 1 80 80 THR CA C 80 63.539 63.539 65.309 -1.770 19034 6139 1 13 . 1 1 80 80 THR CB C 80 66.102 66.102 68.863 -2.761 19034 6140 1 13 . 1 1 80 80 THR H H 80 7.177 7.177 7.375 -0.198 19034 6141 1 13 . 1 1 81 81 GLY N N 81 115.554 115.554 114.842 0.712 19034 6142 1 13 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.544 -2.551 19034 6143 1 13 . 1 1 81 81 GLY H H 81 8.680 8.680 8.599 0.081 19034 6144 1 13 . 1 1 82 82 ARG N N 82 120.945 120.945 120.901 0.044 19034 6145 1 13 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.240 -0.147 19034 6146 1 13 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.970 -3.524 19034 6147 1 13 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.656 -3.508 19034 6148 1 13 . 1 1 82 82 ARG H H 82 7.520 7.520 7.652 -0.132 19034 6149 1 13 . 1 1 83 83 LYS N N 83 121.584 121.584 118.443 3.141 19034 6150 1 13 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.183 -0.175 19034 6151 1 13 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.478 -2.756 19034 6152 1 13 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.284 -2.694 19034 6153 1 13 . 1 1 83 83 LYS H H 83 8.165 8.165 8.699 -0.534 19034 6154 1 13 . 1 1 84 84 PHE N N 84 125.104 125.104 123.687 1.417 19034 6155 1 13 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.942 -0.505 19034 6156 1 13 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.337 -2.564 19034 6157 1 13 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.698 -0.611 19034 6158 1 13 . 1 1 84 84 PHE H H 84 8.656 8.656 8.900 -0.244 19034 6159 1 13 . 1 1 85 85 ALA N N 85 127.849 127.849 121.221 6.628 19034 6160 1 13 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.180 -0.412 19034 6161 1 13 . 1 1 85 85 ALA CA C 85 51.048 51.048 53.083 -2.035 19034 6162 1 13 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.777 -5.657 19034 6163 1 13 . 1 1 85 85 ALA H H 85 8.831 8.831 7.831 1.000 19034 6164 1 13 . 1 1 86 86 ASN N N 86 113.065 113.065 116.073 -3.008 19034 6165 1 13 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.795 -0.436 19034 6166 1 13 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.865 -2.456 19034 6167 1 13 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.318 -4.596 19034 6168 1 13 . 1 1 86 86 ASN H H 86 8.406 8.406 8.644 -0.238 19034 6169 1 13 . 1 1 87 87 ARG N N 87 121.167 121.167 119.489 1.678 19034 6170 1 13 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.651 -0.130 19034 6171 1 13 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.720 -1.934 19034 6172 1 13 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.108 -2.228 19034 6173 1 13 . 1 1 87 87 ARG H H 87 8.250 8.250 8.187 0.063 19034 6174 1 13 . 1 1 88 88 VAL N N 88 121.437 121.437 122.113 -0.676 19034 6175 1 13 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.258 0.016 19034 6176 1 13 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.354 -3.073 19034 6177 1 13 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.298 -1.008 19034 6178 1 13 . 1 1 88 88 VAL H H 88 8.279 8.279 8.397 -0.118 19034 6179 1 13 . 1 1 89 89 VAL N N 89 127.754 127.754 128.577 -0.823 19034 6180 1 13 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.230 -0.118 19034 6181 1 13 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.921 -1.790 19034 6182 1 13 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.673 -2.565 19034 6183 1 13 . 1 1 89 89 VAL H H 89 8.601 8.601 8.745 -0.144 19034 6184 1 13 . 1 1 90 90 VAL N N 90 127.874 127.874 122.432 5.442 19034 6185 1 13 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.305 0.016 19034 6186 1 13 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.773 -2.284 19034 6187 1 13 . 1 1 90 90 VAL CB C 90 32.346 32.346 35.052 -2.706 19034 6188 1 13 . 1 1 90 90 VAL H H 90 7.866 7.866 7.770 0.096 19034 6189 1 13 . 1 1 91 91 THR N N 91 114.187 114.187 115.632 -1.445 19034 6190 1 13 . 1 1 91 91 THR HA H 91 5.528 5.528 5.060 0.468 19034 6191 1 13 . 1 1 91 91 THR CA C 91 56.193 56.193 60.020 -3.827 19034 6192 1 13 . 1 1 91 91 THR CB C 91 69.553 69.553 70.662 -1.109 19034 6193 1 13 . 1 1 91 91 THR H H 91 8.119 8.119 8.235 -0.116 19034 6194 1 13 . 1 1 92 92 LYS N N 92 116.111 116.111 123.600 -7.489 19034 6195 1 13 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.453 -0.107 19034 6196 1 13 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.197 -2.543 19034 6197 1 13 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.300 -3.413 19034 6198 1 13 . 1 1 92 92 LYS H H 92 8.199 8.199 8.709 -0.510 19034 6199 1 13 . 1 1 93 93 TYR N N 93 121.017 121.017 120.583 0.434 19034 6200 1 13 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.354 0.606 19034 6201 1 13 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.333 -2.922 19034 6202 1 13 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.537 -1.997 19034 6203 1 13 . 1 1 93 93 TYR H H 93 8.450 8.450 8.336 0.114 19034 6204 1 13 . 1 1 94 94 CYS N N 94 119.566 119.566 122.420 -2.854 19034 6205 1 13 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.794 0.018 19034 6206 1 13 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.455 -3.454 19034 6207 1 13 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.019 -3.433 19034 6208 1 13 . 1 1 94 94 CYS H H 94 8.614 8.614 8.615 -0.001 19034 6209 1 13 . 1 1 95 95 ASP N N 95 128.707 128.707 119.655 9.052 19034 6210 1 13 . 1 1 95 95 ASP HA H 95 4.837 4.837 4.848 -0.011 19034 6211 1 13 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.591 -2.581 19034 6212 1 13 . 1 1 95 95 ASP CB C 95 39.716 39.716 43.081 -3.365 19034 6213 1 13 . 1 1 95 95 ASP H H 95 8.969 8.969 8.478 0.491 19034 6214 1 13 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.361 -2.626 19034 6215 1 13 . 1 1 97 97 ASP N N 97 118.102 118.102 119.493 -1.391 19034 6216 1 13 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.481 -0.052 19034 6217 1 13 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.213 -2.172 19034 6218 1 13 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.550 -2.791 19034 6219 1 13 . 1 1 97 97 ASP H H 97 8.189 8.189 8.650 -0.461 19034 6220 1 13 . 1 1 98 98 SER N N 98 116.394 116.394 114.792 1.602 19034 6221 1 13 . 1 1 98 98 SER HA H 98 3.961 3.961 4.154 -0.193 19034 6222 1 13 . 1 1 98 98 SER CA C 98 59.519 59.519 60.919 -1.400 19034 6223 1 13 . 1 1 98 98 SER H H 98 7.792 7.792 8.246 -0.454 19034 6224 1 13 . 1 1 99 99 TYR N N 99 121.890 121.890 124.109 -2.219 19034 6225 1 13 . 1 1 99 99 TYR HA H 99 3.742 3.742 3.963 -0.221 19034 6226 1 13 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.127 -2.330 19034 6227 1 13 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.346 -2.171 19034 6228 1 13 . 1 1 99 99 TYR H H 99 7.625 7.625 7.337 0.288 19034 6229 1 13 . 1 1 100 100 HIS N N 100 118.065 118.065 115.382 2.683 19034 6230 1 13 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.423 -0.293 19034 6231 1 13 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.458 -2.850 19034 6232 1 13 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.779 -3.985 19034 6233 1 13 . 1 1 100 100 HIS H H 100 8.425 8.425 7.795 0.630 19034 6234 1 13 . 1 1 101 101 ARG N N 101 116.756 116.756 118.155 -1.399 19034 6235 1 13 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.557 -0.456 19034 6236 1 13 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.432 -0.791 19034 6237 1 13 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.574 -4.465 19034 6238 1 13 . 1 1 101 101 ARG H H 101 7.406 7.406 7.526 -0.120 19034 6239 1 13 . 1 1 102 102 ARG N N 102 115.254 115.254 120.099 -4.845 19034 6240 1 13 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.956 -1.656 19034 6241 1 13 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.002 -1.416 19034 6242 1 13 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.483 -4.399 19034 6243 1 13 . 1 1 102 102 ARG H H 102 7.297 7.297 8.473 -1.176 19034 6244 1 13 . 1 1 103 103 ASP N N 103 119.588 119.588 119.395 0.193 19034 6245 1 13 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.524 -0.178 19034 6246 1 13 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.639 -4.058 19034 6247 1 13 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.697 -2.948 19034 6248 1 13 . 1 1 103 103 ASP H H 103 7.467 7.467 7.702 -0.235 19034 6249 1 13 . 1 1 104 104 PHE N N 104 120.438 120.438 119.129 1.309 19034 6250 1 13 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.574 -0.234 19034 6251 1 13 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.383 -5.681 19034 6252 1 13 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.237 -2.395 19034 6253 1 13 . 1 1 104 104 PHE H H 104 7.138 7.138 7.095 0.043 19034 6254 1 14 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.635 -2.178 19034 6255 1 14 . 1 1 3 3 HIS N N 3 118.891 118.891 118.225 0.666 19034 6256 1 14 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.713 0.120 19034 6257 1 14 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.329 -3.811 19034 6258 1 14 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.514 -3.102 19034 6259 1 14 . 1 1 3 3 HIS H H 3 8.079 8.079 8.315 -0.236 19034 6260 1 14 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.500 -1.484 19034 6261 1 14 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.611 -2.644 19034 6262 1 14 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.047 -2.109 19034 6263 1 14 . 1 1 5 5 THR N N 5 113.236 113.236 114.097 -0.861 19034 6264 1 14 . 1 1 5 5 THR HA H 5 4.430 4.430 4.596 -0.166 19034 6265 1 14 . 1 1 5 5 THR CA C 5 56.748 56.748 59.484 -2.736 19034 6266 1 14 . 1 1 5 5 THR CB C 5 69.859 69.859 71.667 -1.808 19034 6267 1 14 . 1 1 5 5 THR H H 5 6.242 6.242 7.538 -1.296 19034 6268 1 14 . 1 1 6 6 GLU N N 6 114.417 114.417 117.414 -2.997 19034 6269 1 14 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.169 0.006 19034 6270 1 14 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.575 -2.151 19034 6271 1 14 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.158 -3.029 19034 6272 1 14 . 1 1 6 6 GLU H H 6 10.185 10.185 8.788 1.397 19034 6273 1 14 . 1 1 7 7 VAL N N 7 119.290 119.290 116.104 3.186 19034 6274 1 14 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.577 0.461 19034 6275 1 14 . 1 1 7 7 VAL CA C 7 58.276 58.276 61.080 -2.804 19034 6276 1 14 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.836 -3.314 19034 6277 1 14 . 1 1 7 7 VAL H H 7 8.270 8.270 7.087 1.183 19034 6278 1 14 . 1 1 8 8 LEU N N 8 130.138 130.138 118.879 11.259 19034 6279 1 14 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.994 -0.353 19034 6280 1 14 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.946 -4.158 19034 6281 1 14 . 1 1 8 8 LEU CB C 8 43.885 43.885 47.278 -3.393 19034 6282 1 14 . 1 1 8 8 LEU H H 8 9.316 9.316 8.689 0.627 19034 6283 1 14 . 1 1 9 9 CYS N N 9 123.769 123.769 121.027 2.742 19034 6284 1 14 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.197 -0.158 19034 6285 1 14 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.199 -2.951 19034 6286 1 14 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.124 -3.896 19034 6287 1 14 . 1 1 9 9 CYS H H 9 8.902 8.902 9.013 -0.111 19034 6288 1 14 . 1 1 10 10 LEU N N 10 127.313 127.313 129.337 -2.024 19034 6289 1 14 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.767 -0.183 19034 6290 1 14 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.274 -1.906 19034 6291 1 14 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.181 -2.472 19034 6292 1 14 . 1 1 10 10 LEU H H 10 9.203 9.203 8.823 0.380 19034 6293 1 14 . 1 1 11 11 MET N N 11 124.158 124.158 123.181 0.977 19034 6294 1 14 . 1 1 11 11 MET HA H 11 4.481 4.481 4.448 0.033 19034 6295 1 14 . 1 1 11 11 MET CA C 11 52.655 52.655 56.299 -3.644 19034 6296 1 14 . 1 1 11 11 MET CB C 11 33.156 33.156 34.120 -0.964 19034 6297 1 14 . 1 1 11 11 MET H H 11 9.161 9.161 8.910 0.251 19034 6298 1 14 . 1 1 12 12 ASN N N 12 114.067 114.067 114.016 0.051 19034 6299 1 14 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.313 -0.032 19034 6300 1 14 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.623 -2.938 19034 6301 1 14 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.447 -1.133 19034 6302 1 14 . 1 1 12 12 ASN H H 12 8.842 8.842 8.681 0.161 19034 6303 1 14 . 1 1 13 13 MET N N 13 118.202 118.202 118.313 -0.111 19034 6304 1 14 . 1 1 13 13 MET HA H 13 3.952 3.952 4.367 -0.415 19034 6305 1 14 . 1 1 13 13 MET CA C 13 55.132 55.132 57.972 -2.840 19034 6306 1 14 . 1 1 13 13 MET CB C 13 31.944 31.944 33.760 -1.816 19034 6307 1 14 . 1 1 13 13 MET H H 13 8.519 8.519 8.037 0.482 19034 6308 1 14 . 1 1 14 14 VAL N N 14 110.436 110.436 113.845 -3.409 19034 6309 1 14 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.754 -0.302 19034 6310 1 14 . 1 1 14 14 VAL CA C 14 55.821 55.821 59.830 -4.009 19034 6311 1 14 . 1 1 14 14 VAL CB C 14 32.754 32.754 32.609 0.145 19034 6312 1 14 . 1 1 14 14 VAL H H 14 6.949 6.949 7.702 -0.753 19034 6313 1 14 . 1 1 15 15 LEU N N 15 123.248 123.248 123.609 -0.361 19034 6314 1 14 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.810 -0.031 19034 6315 1 14 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.665 -2.784 19034 6316 1 14 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.479 -1.979 19034 6317 1 14 . 1 1 15 15 LEU H H 15 8.346 8.346 8.862 -0.516 19034 6318 1 14 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.435 -0.552 19034 6319 1 14 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.109 -8.004 19034 6320 1 14 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.887 -2.374 19034 6321 1 14 . 1 1 17 17 GLU N N 17 119.496 119.496 115.869 3.627 19034 6322 1 14 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.472 -0.361 19034 6323 1 14 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.388 -1.893 19034 6324 1 14 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.374 -2.486 19034 6325 1 14 . 1 1 17 17 GLU H H 17 7.754 7.754 8.400 -0.646 19034 6326 1 14 . 1 1 18 18 GLU N N 18 112.697 112.697 118.432 -5.735 19034 6327 1 14 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.512 -0.534 19034 6328 1 14 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.884 0.401 19034 6329 1 14 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.319 -5.243 19034 6330 1 14 . 1 1 18 18 GLU H H 18 8.975 8.975 7.852 1.123 19034 6331 1 14 . 1 1 19 19 LEU N N 19 113.096 113.096 123.298 -10.202 19034 6332 1 14 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.420 -0.001 19034 6333 1 14 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.482 -4.533 19034 6334 1 14 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.529 -0.186 19034 6335 1 14 . 1 1 19 19 LEU H H 19 7.266 7.266 8.077 -0.811 19034 6336 1 14 . 1 1 20 20 LEU N N 20 119.130 119.130 120.610 -1.480 19034 6337 1 14 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.590 -0.552 19034 6338 1 14 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.511 -0.509 19034 6339 1 14 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.675 -3.409 19034 6340 1 14 . 1 1 20 20 LEU H H 20 7.102 7.102 7.834 -0.732 19034 6341 1 14 . 1 1 21 21 ASP N N 21 120.713 120.713 122.403 -1.690 19034 6342 1 14 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.472 0.135 19034 6343 1 14 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.457 -4.651 19034 6344 1 14 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.727 -0.160 19034 6345 1 14 . 1 1 21 21 ASP H H 21 8.071 8.071 8.025 0.046 19034 6346 1 14 . 1 1 22 22 ASP N N 22 126.353 126.353 125.187 1.166 19034 6347 1 14 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.254 -0.012 19034 6348 1 14 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.295 -0.645 19034 6349 1 14 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.052 -2.969 19034 6350 1 14 . 1 1 22 22 ASP H H 22 8.835 8.835 8.472 0.363 19034 6351 1 14 . 1 1 23 23 GLU N N 23 119.623 119.623 115.592 4.031 19034 6352 1 14 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.361 -0.295 19034 6353 1 14 . 1 1 23 23 GLU CA C 23 56.840 56.840 57.169 -0.329 19034 6354 1 14 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.643 -3.231 19034 6355 1 14 . 1 1 23 23 GLU H H 23 8.177 8.177 8.045 0.132 19034 6356 1 14 . 1 1 24 24 GLU N N 24 121.959 121.959 121.872 0.087 19034 6357 1 14 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.043 -0.047 19034 6358 1 14 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.745 -2.384 19034 6359 1 14 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.673 -3.216 19034 6360 1 14 . 1 1 24 24 GLU H H 24 8.218 8.218 8.142 0.076 19034 6361 1 14 . 1 1 25 25 TYR N N 25 119.522 119.522 119.479 0.043 19034 6362 1 14 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.062 -0.111 19034 6363 1 14 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.728 -2.081 19034 6364 1 14 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.540 -2.535 19034 6365 1 14 . 1 1 25 25 TYR H H 25 8.694 8.694 8.394 0.300 19034 6366 1 14 . 1 1 26 26 GLU N N 26 116.410 116.410 117.070 -0.660 19034 6367 1 14 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.108 -0.406 19034 6368 1 14 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.950 -2.621 19034 6369 1 14 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.473 -3.295 19034 6370 1 14 . 1 1 26 26 GLU H H 26 7.852 7.852 7.808 0.044 19034 6371 1 14 . 1 1 27 27 GLU N N 27 118.895 118.895 119.904 -1.009 19034 6372 1 14 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.087 -0.166 19034 6373 1 14 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.103 -2.658 19034 6374 1 14 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.337 -3.098 19034 6375 1 14 . 1 1 27 27 GLU H H 27 7.555 7.555 7.632 -0.077 19034 6376 1 14 . 1 1 28 28 ILE N N 28 121.720 121.720 119.598 2.122 19034 6377 1 14 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.693 -0.051 19034 6378 1 14 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.930 -2.575 19034 6379 1 14 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.720 -2.654 19034 6380 1 14 . 1 1 28 28 ILE H H 28 7.918 7.918 7.889 0.029 19034 6381 1 14 . 1 1 29 29 VAL N N 29 119.336 119.336 119.481 -0.145 19034 6382 1 14 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.429 -0.394 19034 6383 1 14 . 1 1 29 29 VAL CA C 29 64.607 64.607 67.312 -2.705 19034 6384 1 14 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.236 -2.172 19034 6385 1 14 . 1 1 29 29 VAL H H 29 7.832 7.832 7.686 0.146 19034 6386 1 14 . 1 1 30 30 GLU N N 30 116.291 116.291 118.994 -2.703 19034 6387 1 14 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.967 -0.090 19034 6388 1 14 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.420 -3.360 19034 6389 1 14 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.177 -3.066 19034 6390 1 14 . 1 1 30 30 GLU H H 30 7.405 7.405 7.653 -0.248 19034 6391 1 14 . 1 1 31 31 ASP N N 31 120.811 120.811 120.101 0.710 19034 6392 1 14 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.396 -0.022 19034 6393 1 14 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.089 -2.557 19034 6394 1 14 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.697 -3.412 19034 6395 1 14 . 1 1 31 31 ASP H H 31 8.471 8.471 7.785 0.686 19034 6396 1 14 . 1 1 32 32 VAL N N 32 121.006 121.006 119.424 1.582 19034 6397 1 14 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.535 -0.124 19034 6398 1 14 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.579 -1.364 19034 6399 1 14 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.315 -2.770 19034 6400 1 14 . 1 1 32 32 VAL H H 32 8.655 8.655 7.490 1.165 19034 6401 1 14 . 1 1 33 33 ARG N N 33 122.143 122.143 120.557 1.586 19034 6402 1 14 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.932 -0.439 19034 6403 1 14 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.715 -1.284 19034 6404 1 14 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.967 -2.735 19034 6405 1 14 . 1 1 33 33 ARG H H 33 8.507 8.507 8.012 0.495 19034 6406 1 14 . 1 1 34 34 ASP N N 34 120.971 120.971 118.760 2.211 19034 6407 1 14 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.359 -0.103 19034 6408 1 14 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.264 -2.164 19034 6409 1 14 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.794 -2.718 19034 6410 1 14 . 1 1 34 34 ASP H H 34 8.633 8.633 8.049 0.584 19034 6411 1 14 . 1 1 35 35 GLU N N 35 119.918 119.918 119.882 0.036 19034 6412 1 14 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.049 0.015 19034 6413 1 14 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.968 -2.537 19034 6414 1 14 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.276 -2.416 19034 6415 1 14 . 1 1 35 35 GLU H H 35 8.184 8.184 7.826 0.358 19034 6416 1 14 . 1 1 36 36 CYS N N 36 114.288 114.288 118.153 -3.865 19034 6417 1 14 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.543 -0.169 19034 6418 1 14 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.659 0.884 19034 6419 1 14 . 1 1 36 36 CYS CB C 36 24.910 24.910 26.686 -1.776 19034 6420 1 14 . 1 1 36 36 CYS H H 36 8.584 8.584 8.212 0.372 19034 6421 1 14 . 1 1 37 37 SER N N 37 114.987 114.987 115.256 -0.269 19034 6422 1 14 . 1 1 37 37 SER HA H 37 5.135 5.135 4.627 0.508 19034 6423 1 14 . 1 1 37 37 SER CA C 37 58.124 58.124 60.258 -2.134 19034 6424 1 14 . 1 1 37 37 SER CB C 37 60.481 60.481 62.597 -2.116 19034 6425 1 14 . 1 1 37 37 SER H H 37 8.164 8.164 7.813 0.351 19034 6426 1 14 . 1 1 38 38 LYS N N 38 119.574 119.574 120.839 -1.265 19034 6427 1 14 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.133 -0.329 19034 6428 1 14 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.116 -2.626 19034 6429 1 14 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.302 -2.931 19034 6430 1 14 . 1 1 38 38 LYS H H 38 7.111 7.111 7.587 -0.476 19034 6431 1 14 . 1 1 39 39 TYR N N 39 116.372 116.372 116.528 -0.156 19034 6432 1 14 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.662 -0.358 19034 6433 1 14 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.460 -1.536 19034 6434 1 14 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.595 -2.473 19034 6435 1 14 . 1 1 39 39 TYR H H 39 7.576 7.576 7.776 -0.200 19034 6436 1 14 . 1 1 40 40 GLY N N 40 103.718 103.718 105.533 -1.815 19034 6437 1 14 . 1 1 40 40 GLY CA C 40 42.186 42.186 44.989 -2.803 19034 6438 1 14 . 1 1 40 40 GLY H H 40 7.380 7.380 7.514 -0.134 19034 6439 1 14 . 1 1 41 41 LEU N N 41 118.877 118.877 122.641 -3.764 19034 6440 1 14 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.867 -0.535 19034 6441 1 14 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.713 -0.643 19034 6442 1 14 . 1 1 41 41 LEU CB C 41 39.959 39.959 43.752 -3.793 19034 6443 1 14 . 1 1 41 41 LEU H H 41 8.260 8.260 8.600 -0.340 19034 6444 1 14 . 1 1 42 42 VAL N N 42 127.032 127.032 126.366 0.666 19034 6445 1 14 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.400 0.107 19034 6446 1 14 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.668 -2.720 19034 6447 1 14 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.141 -2.139 19034 6448 1 14 . 1 1 42 42 VAL H H 42 8.598 8.598 8.447 0.151 19034 6449 1 14 . 1 1 43 43 LYS N N 43 130.977 130.977 128.573 2.404 19034 6450 1 14 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.101 0.025 19034 6451 1 14 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.649 -3.627 19034 6452 1 14 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.467 -1.374 19034 6453 1 14 . 1 1 43 43 LYS H H 43 9.307 9.307 8.776 0.531 19034 6454 1 14 . 1 1 44 44 SER N N 44 110.453 110.453 107.599 2.854 19034 6455 1 14 . 1 1 44 44 SER HA H 44 4.492 4.492 4.638 -0.146 19034 6456 1 14 . 1 1 44 44 SER CA C 44 55.890 55.890 57.336 -1.446 19034 6457 1 14 . 1 1 44 44 SER CB C 44 62.940 62.940 64.785 -1.845 19034 6458 1 14 . 1 1 44 44 SER H H 44 7.938 7.938 7.544 0.394 19034 6459 1 14 . 1 1 45 45 ILE N N 45 118.542 118.542 119.142 -0.600 19034 6460 1 14 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.793 0.257 19034 6461 1 14 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.416 -2.885 19034 6462 1 14 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.518 -1.198 19034 6463 1 14 . 1 1 45 45 ILE H H 45 8.136 8.136 8.238 -0.102 19034 6464 1 14 . 1 1 46 46 GLU N N 46 125.456 125.456 125.609 -0.153 19034 6465 1 14 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.684 0.016 19034 6466 1 14 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.981 -2.514 19034 6467 1 14 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.268 -1.505 19034 6468 1 14 . 1 1 46 46 GLU H H 46 9.364 9.364 9.152 0.212 19034 6469 1 14 . 1 1 47 47 ILE N N 47 122.471 122.471 127.551 -5.080 19034 6470 1 14 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.560 0.145 19034 6471 1 14 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.213 -1.878 19034 6472 1 14 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.810 -2.022 19034 6473 1 14 . 1 1 47 47 ILE H H 47 8.672 8.672 8.645 0.027 19034 6474 1 14 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.825 -1.949 19034 6475 1 14 . 1 1 49 49 ARG N N 49 120.907 120.907 123.307 -2.400 19034 6476 1 14 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.762 -0.055 19034 6477 1 14 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.165 -0.236 19034 6478 1 14 . 1 1 49 49 ARG H H 49 7.944 7.944 8.157 -0.213 19034 6479 1 14 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.474 -0.082 19034 6480 1 14 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.693 -2.065 19034 6481 1 14 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.153 -2.527 19034 6482 1 14 . 1 1 51 51 VAL N N 51 121.425 121.425 121.148 0.277 19034 6483 1 14 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.140 -0.153 19034 6484 1 14 . 1 1 51 51 VAL CA C 51 58.857 58.857 60.709 -1.852 19034 6485 1 14 . 1 1 51 51 VAL CB C 51 32.238 32.238 32.402 -0.164 19034 6486 1 14 . 1 1 51 51 VAL H H 51 7.992 7.992 8.596 -0.604 19034 6487 1 14 . 1 1 52 52 ASP N N 52 127.160 127.160 126.098 1.062 19034 6488 1 14 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.495 -0.258 19034 6489 1 14 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.250 -1.962 19034 6490 1 14 . 1 1 52 52 ASP CB C 52 37.950 37.950 39.621 -1.671 19034 6491 1 14 . 1 1 52 52 ASP H H 52 8.746 8.746 8.518 0.228 19034 6492 1 14 . 1 1 53 53 GLY N N 53 108.483 108.483 111.945 -3.462 19034 6493 1 14 . 1 1 53 53 GLY CA C 53 42.974 42.974 45.239 -2.265 19034 6494 1 14 . 1 1 53 53 GLY H H 53 8.589 8.589 8.289 0.300 19034 6495 1 14 . 1 1 54 54 VAL N N 54 120.874 120.874 120.533 0.341 19034 6496 1 14 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.296 -0.137 19034 6497 1 14 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.623 -2.134 19034 6498 1 14 . 1 1 54 54 VAL CB C 54 32.033 32.033 34.206 -2.173 19034 6499 1 14 . 1 1 54 54 VAL H H 54 7.804 7.804 7.012 0.792 19034 6500 1 14 . 1 1 55 55 GLU N N 55 126.140 126.140 126.549 -0.409 19034 6501 1 14 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.237 -0.064 19034 6502 1 14 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.705 -3.009 19034 6503 1 14 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.039 -3.279 19034 6504 1 14 . 1 1 55 55 GLU H H 55 8.578 8.578 8.538 0.040 19034 6505 1 14 . 1 1 56 56 VAL N N 56 124.648 124.648 115.800 8.848 19034 6506 1 14 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.526 -0.171 19034 6507 1 14 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.961 -0.890 19034 6508 1 14 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.382 -2.575 19034 6509 1 14 . 1 1 56 56 VAL H H 56 7.661 7.661 8.047 -0.386 19034 6510 1 14 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.466 -0.349 19034 6511 1 14 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.447 -2.206 19034 6512 1 14 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.086 -2.841 19034 6513 1 14 . 1 1 58 58 GLY N N 58 109.755 109.755 110.467 -0.712 19034 6514 1 14 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.421 -2.574 19034 6515 1 14 . 1 1 58 58 GLY H H 58 8.577 8.577 8.586 -0.009 19034 6516 1 14 . 1 1 59 59 CYS N N 59 118.400 118.400 119.342 -0.942 19034 6517 1 14 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.125 -0.070 19034 6518 1 14 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.552 -1.228 19034 6519 1 14 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.392 -4.213 19034 6520 1 14 . 1 1 59 59 CYS H H 59 7.631 7.631 7.372 0.259 19034 6521 1 14 . 1 1 60 60 GLY N N 60 119.002 119.002 111.649 7.353 19034 6522 1 14 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.751 -3.612 19034 6523 1 14 . 1 1 60 60 GLY H H 60 10.447 10.447 9.019 1.428 19034 6524 1 14 . 1 1 61 61 LYS N N 61 122.250 122.250 117.380 4.870 19034 6525 1 14 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.722 -0.391 19034 6526 1 14 . 1 1 61 61 LYS CA C 61 52.944 52.944 53.746 -0.802 19034 6527 1 14 . 1 1 61 61 LYS CB C 61 33.173 33.173 35.108 -1.935 19034 6528 1 14 . 1 1 61 61 LYS H H 61 8.233 8.233 7.148 1.085 19034 6529 1 14 . 1 1 62 62 ILE N N 62 118.312 118.312 118.274 0.038 19034 6530 1 14 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.231 0.065 19034 6531 1 14 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.013 -1.627 19034 6532 1 14 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.038 -3.035 19034 6533 1 14 . 1 1 62 62 ILE H H 62 7.272 7.272 7.904 -0.632 19034 6534 1 14 . 1 1 63 63 PHE N N 63 125.445 125.445 121.647 3.798 19034 6535 1 14 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.620 -0.320 19034 6536 1 14 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.173 -2.679 19034 6537 1 14 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.020 -2.229 19034 6538 1 14 . 1 1 63 63 PHE H H 63 8.876 8.876 8.786 0.090 19034 6539 1 14 . 1 1 64 64 VAL N N 64 122.504 122.504 119.695 2.809 19034 6540 1 14 . 1 1 64 64 VAL HA H 64 4.320 4.320 5.152 -0.832 19034 6541 1 14 . 1 1 64 64 VAL CA C 64 58.528 58.528 59.874 -1.347 19034 6542 1 14 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.657 -4.086 19034 6543 1 14 . 1 1 64 64 VAL H H 64 9.161 9.161 9.218 -0.057 19034 6544 1 14 . 1 1 65 65 GLU N N 65 127.687 127.687 123.956 3.731 19034 6545 1 14 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.639 0.038 19034 6546 1 14 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.180 -2.735 19034 6547 1 14 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.458 -4.899 19034 6548 1 14 . 1 1 65 65 GLU H H 65 8.601 8.601 8.455 0.146 19034 6549 1 14 . 1 1 66 66 PHE N N 66 126.672 126.672 121.995 4.677 19034 6550 1 14 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.385 -0.292 19034 6551 1 14 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.468 -1.282 19034 6552 1 14 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.410 -3.269 19034 6553 1 14 . 1 1 66 66 PHE H H 66 9.352 9.352 8.805 0.547 19034 6554 1 14 . 1 1 67 67 THR N N 67 109.616 109.616 113.029 -3.413 19034 6555 1 14 . 1 1 67 67 THR HA H 67 4.248 4.248 4.197 0.051 19034 6556 1 14 . 1 1 67 67 THR CA C 67 60.963 60.963 64.081 -3.118 19034 6557 1 14 . 1 1 67 67 THR CB C 67 66.974 66.974 69.514 -2.540 19034 6558 1 14 . 1 1 67 67 THR H H 67 9.072 9.072 8.880 0.192 19034 6559 1 14 . 1 1 68 68 SER N N 68 111.776 111.776 112.522 -0.746 19034 6560 1 14 . 1 1 68 68 SER HA H 68 4.922 4.922 4.604 0.318 19034 6561 1 14 . 1 1 68 68 SER CA C 68 53.411 53.411 56.232 -2.821 19034 6562 1 14 . 1 1 68 68 SER CB C 68 63.507 63.507 64.723 -1.216 19034 6563 1 14 . 1 1 68 68 SER H H 68 7.511 7.511 7.516 -0.005 19034 6564 1 14 . 1 1 69 69 VAL N N 69 123.476 123.476 124.051 -0.575 19034 6565 1 14 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.768 -0.363 19034 6566 1 14 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.772 -3.183 19034 6567 1 14 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.701 -2.824 19034 6568 1 14 . 1 1 69 69 VAL H H 69 8.854 8.854 8.991 -0.137 19034 6569 1 14 . 1 1 70 70 PHE N N 70 119.530 119.530 117.531 1.999 19034 6570 1 14 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.351 -0.122 19034 6571 1 14 . 1 1 70 70 PHE CA C 70 57.902 57.902 60.364 -2.462 19034 6572 1 14 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.849 -2.586 19034 6573 1 14 . 1 1 70 70 PHE H H 70 7.673 7.673 7.644 0.029 19034 6574 1 14 . 1 1 71 71 ASP N N 71 120.024 120.024 119.471 0.553 19034 6575 1 14 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.662 -0.486 19034 6576 1 14 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.235 -1.929 19034 6577 1 14 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.595 -3.728 19034 6578 1 14 . 1 1 71 71 ASP H H 71 7.585 7.585 7.993 -0.408 19034 6579 1 14 . 1 1 72 72 CYS N N 72 119.689 119.689 118.984 0.705 19034 6580 1 14 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.583 0.213 19034 6581 1 14 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.209 -4.062 19034 6582 1 14 . 1 1 72 72 CYS CB C 72 25.349 25.349 25.886 -0.537 19034 6583 1 14 . 1 1 72 72 CYS H H 72 7.087 7.087 7.611 -0.524 19034 6584 1 14 . 1 1 73 73 GLN N N 73 117.350 117.350 118.675 -1.325 19034 6585 1 14 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.084 0.322 19034 6586 1 14 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.330 -1.969 19034 6587 1 14 . 1 1 73 73 GLN CB C 73 26.883 26.883 27.643 -0.760 19034 6588 1 14 . 1 1 73 73 GLN H H 73 8.478 8.478 7.741 0.737 19034 6589 1 14 . 1 1 74 74 LYS N N 74 119.692 119.692 117.760 1.932 19034 6590 1 14 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.426 -0.652 19034 6591 1 14 . 1 1 74 74 LYS CA C 74 56.827 56.827 57.751 -0.924 19034 6592 1 14 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.947 -3.445 19034 6593 1 14 . 1 1 74 74 LYS H H 74 7.468 7.468 7.762 -0.294 19034 6594 1 14 . 1 1 75 75 ALA N N 75 124.287 124.287 123.815 0.472 19034 6595 1 14 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.624 -1.029 19034 6596 1 14 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.875 -3.179 19034 6597 1 14 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.186 -1.095 19034 6598 1 14 . 1 1 75 75 ALA H H 75 7.549 7.549 7.672 -0.123 19034 6599 1 14 . 1 1 76 76 MET N N 76 118.919 118.919 117.880 1.039 19034 6600 1 14 . 1 1 76 76 MET HA H 76 3.490 3.490 3.899 -0.409 19034 6601 1 14 . 1 1 76 76 MET CA C 76 56.956 56.956 58.378 -1.422 19034 6602 1 14 . 1 1 76 76 MET CB C 76 28.966 28.966 31.967 -3.001 19034 6603 1 14 . 1 1 76 76 MET H H 76 8.700 8.700 8.377 0.323 19034 6604 1 14 . 1 1 77 77 GLN N N 77 118.282 118.282 116.093 2.189 19034 6605 1 14 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.338 -0.482 19034 6606 1 14 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.597 -1.897 19034 6607 1 14 . 1 1 77 77 GLN CB C 77 25.781 25.781 29.119 -3.338 19034 6608 1 14 . 1 1 77 77 GLN H H 77 7.798 7.798 8.250 -0.452 19034 6609 1 14 . 1 1 78 78 GLY N N 78 106.137 106.137 108.464 -2.327 19034 6610 1 14 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.642 -2.894 19034 6611 1 14 . 1 1 78 78 GLY H H 78 7.797 7.797 7.649 0.148 19034 6612 1 14 . 1 1 79 79 LEU N N 79 118.753 118.753 117.297 1.456 19034 6613 1 14 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.588 -0.398 19034 6614 1 14 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.539 -0.276 19034 6615 1 14 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.725 -1.811 19034 6616 1 14 . 1 1 79 79 LEU H H 79 8.039 8.039 7.370 0.669 19034 6617 1 14 . 1 1 80 80 THR N N 80 114.360 114.360 115.532 -1.172 19034 6618 1 14 . 1 1 80 80 THR HA H 80 3.550 3.550 4.026 -0.476 19034 6619 1 14 . 1 1 80 80 THR CA C 80 63.539 63.539 64.960 -1.421 19034 6620 1 14 . 1 1 80 80 THR CB C 80 66.102 66.102 69.413 -3.311 19034 6621 1 14 . 1 1 80 80 THR H H 80 7.177 7.177 7.585 -0.408 19034 6622 1 14 . 1 1 81 81 GLY N N 81 115.554 115.554 116.842 -1.288 19034 6623 1 14 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.371 -2.378 19034 6624 1 14 . 1 1 81 81 GLY H H 81 8.680 8.680 8.586 0.094 19034 6625 1 14 . 1 1 82 82 ARG N N 82 120.945 120.945 122.185 -1.240 19034 6626 1 14 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.331 -0.238 19034 6627 1 14 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.287 -2.841 19034 6628 1 14 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.280 -3.132 19034 6629 1 14 . 1 1 82 82 ARG H H 82 7.520 7.520 7.541 -0.021 19034 6630 1 14 . 1 1 83 83 LYS N N 83 121.584 121.584 119.518 2.066 19034 6631 1 14 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.179 -0.171 19034 6632 1 14 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.649 -2.927 19034 6633 1 14 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.046 -1.456 19034 6634 1 14 . 1 1 83 83 LYS H H 83 8.165 8.165 8.589 -0.424 19034 6635 1 14 . 1 1 84 84 PHE N N 84 125.104 125.104 123.178 1.926 19034 6636 1 14 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.639 -0.202 19034 6637 1 14 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.481 -2.708 19034 6638 1 14 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.443 0.644 19034 6639 1 14 . 1 1 84 84 PHE H H 84 8.656 8.656 9.011 -0.355 19034 6640 1 14 . 1 1 85 85 ALA N N 85 127.849 127.849 119.984 7.865 19034 6641 1 14 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.216 -0.448 19034 6642 1 14 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.748 -1.700 19034 6643 1 14 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.610 -5.489 19034 6644 1 14 . 1 1 85 85 ALA H H 85 8.831 8.831 7.799 1.032 19034 6645 1 14 . 1 1 86 86 ASN N N 86 113.065 113.065 115.871 -2.806 19034 6646 1 14 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.756 -0.397 19034 6647 1 14 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.361 -1.952 19034 6648 1 14 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.635 -3.913 19034 6649 1 14 . 1 1 86 86 ASN H H 86 8.406 8.406 8.514 -0.108 19034 6650 1 14 . 1 1 87 87 ARG N N 87 121.167 121.167 121.335 -0.168 19034 6651 1 14 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.569 -0.048 19034 6652 1 14 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.117 -2.331 19034 6653 1 14 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.796 -1.916 19034 6654 1 14 . 1 1 87 87 ARG H H 87 8.250 8.250 8.127 0.123 19034 6655 1 14 . 1 1 88 88 VAL N N 88 121.437 121.437 121.956 -0.519 19034 6656 1 14 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.338 -0.064 19034 6657 1 14 . 1 1 88 88 VAL CA C 88 59.281 59.281 61.896 -2.615 19034 6658 1 14 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.378 -1.088 19034 6659 1 14 . 1 1 88 88 VAL H H 88 8.279 8.279 8.403 -0.124 19034 6660 1 14 . 1 1 89 89 VAL N N 89 127.754 127.754 128.064 -0.310 19034 6661 1 14 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.294 -0.182 19034 6662 1 14 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.937 0.194 19034 6663 1 14 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.966 -2.858 19034 6664 1 14 . 1 1 89 89 VAL H H 89 8.601 8.601 8.819 -0.218 19034 6665 1 14 . 1 1 90 90 VAL N N 90 127.874 127.874 125.876 1.998 19034 6666 1 14 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.380 -0.059 19034 6667 1 14 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.521 -2.032 19034 6668 1 14 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.450 -2.104 19034 6669 1 14 . 1 1 90 90 VAL H H 90 7.866 7.866 8.396 -0.530 19034 6670 1 14 . 1 1 91 91 THR N N 91 114.187 114.187 120.112 -5.925 19034 6671 1 14 . 1 1 91 91 THR HA H 91 5.528 5.528 4.872 0.656 19034 6672 1 14 . 1 1 91 91 THR CA C 91 56.193 56.193 60.883 -4.690 19034 6673 1 14 . 1 1 91 91 THR CB C 91 69.553 69.553 69.813 -0.260 19034 6674 1 14 . 1 1 91 91 THR H H 91 8.119 8.119 8.173 -0.054 19034 6675 1 14 . 1 1 92 92 LYS N N 92 116.111 116.111 120.452 -4.341 19034 6676 1 14 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.390 -0.044 19034 6677 1 14 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.103 -2.449 19034 6678 1 14 . 1 1 92 92 LYS CB C 92 33.887 33.887 35.853 -1.966 19034 6679 1 14 . 1 1 92 92 LYS H H 92 8.199 8.199 8.355 -0.156 19034 6680 1 14 . 1 1 93 93 TYR N N 93 121.017 121.017 119.668 1.349 19034 6681 1 14 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.506 0.454 19034 6682 1 14 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.260 -2.850 19034 6683 1 14 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.337 -2.797 19034 6684 1 14 . 1 1 93 93 TYR H H 93 8.450 8.450 8.338 0.112 19034 6685 1 14 . 1 1 94 94 CYS N N 94 119.566 119.566 117.874 1.692 19034 6686 1 14 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.873 -0.061 19034 6687 1 14 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.890 -2.889 19034 6688 1 14 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.747 -3.161 19034 6689 1 14 . 1 1 94 94 CYS H H 94 8.614 8.614 8.782 -0.168 19034 6690 1 14 . 1 1 95 95 ASP N N 95 128.707 128.707 120.398 8.309 19034 6691 1 14 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.087 -0.250 19034 6692 1 14 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.403 -2.393 19034 6693 1 14 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.779 -3.063 19034 6694 1 14 . 1 1 95 95 ASP H H 95 8.969 8.969 8.885 0.084 19034 6695 1 14 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.422 -2.687 19034 6696 1 14 . 1 1 97 97 ASP N N 97 118.102 118.102 118.267 -0.165 19034 6697 1 14 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.468 -0.039 19034 6698 1 14 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.183 -2.142 19034 6699 1 14 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.454 -2.695 19034 6700 1 14 . 1 1 97 97 ASP H H 97 8.189 8.189 8.637 -0.448 19034 6701 1 14 . 1 1 98 98 SER N N 98 116.394 116.394 113.300 3.094 19034 6702 1 14 . 1 1 98 98 SER HA H 98 3.961 3.961 4.246 -0.285 19034 6703 1 14 . 1 1 98 98 SER CA C 98 59.519 59.519 60.281 -0.762 19034 6704 1 14 . 1 1 98 98 SER H H 98 7.792 7.792 8.289 -0.497 19034 6705 1 14 . 1 1 99 99 TYR N N 99 121.890 121.890 123.813 -1.923 19034 6706 1 14 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.344 -0.602 19034 6707 1 14 . 1 1 99 99 TYR CA C 99 58.797 58.797 61.036 -2.239 19034 6708 1 14 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.904 -2.729 19034 6709 1 14 . 1 1 99 99 TYR H H 99 7.625 7.625 7.388 0.237 19034 6710 1 14 . 1 1 100 100 HIS N N 100 118.065 118.065 115.249 2.816 19034 6711 1 14 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.511 -0.381 19034 6712 1 14 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.791 -2.183 19034 6713 1 14 . 1 1 100 100 HIS CB C 100 25.794 25.794 29.925 -4.131 19034 6714 1 14 . 1 1 100 100 HIS H H 100 8.425 8.425 7.744 0.681 19034 6715 1 14 . 1 1 101 101 ARG N N 101 116.756 116.756 117.995 -1.239 19034 6716 1 14 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.658 -0.557 19034 6717 1 14 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.486 -0.845 19034 6718 1 14 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.602 -4.493 19034 6719 1 14 . 1 1 101 101 ARG H H 101 7.406 7.406 7.260 0.146 19034 6720 1 14 . 1 1 102 102 ARG N N 102 115.254 115.254 119.806 -4.552 19034 6721 1 14 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.688 -1.388 19034 6722 1 14 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.731 -1.145 19034 6723 1 14 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.594 -4.510 19034 6724 1 14 . 1 1 102 102 ARG H H 102 7.297 7.297 8.273 -0.976 19034 6725 1 14 . 1 1 103 103 ASP N N 103 119.588 119.588 120.392 -0.804 19034 6726 1 14 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.485 -0.139 19034 6727 1 14 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.519 -3.938 19034 6728 1 14 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.601 -2.852 19034 6729 1 14 . 1 1 103 103 ASP H H 103 7.467 7.467 6.957 0.510 19034 6730 1 14 . 1 1 104 104 PHE N N 104 120.438 120.438 118.324 2.114 19034 6731 1 14 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.275 0.065 19034 6732 1 14 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.986 -5.285 19034 6733 1 14 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.331 -2.489 19034 6734 1 14 . 1 1 104 104 PHE H H 104 7.138 7.138 6.812 0.326 19034 6735 1 15 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.477 -2.020 19034 6736 1 15 . 1 1 3 3 HIS N N 3 118.891 118.891 121.285 -2.394 19034 6737 1 15 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.574 0.259 19034 6738 1 15 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.396 -2.878 19034 6739 1 15 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.595 -3.183 19034 6740 1 15 . 1 1 3 3 HIS H H 3 8.079 8.079 8.532 -0.453 19034 6741 1 15 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.919 -1.903 19034 6742 1 15 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.523 -2.555 19034 6743 1 15 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.805 -1.867 19034 6744 1 15 . 1 1 5 5 THR N N 5 113.236 113.236 111.485 1.751 19034 6745 1 15 . 1 1 5 5 THR HA H 5 4.430 4.430 4.659 -0.229 19034 6746 1 15 . 1 1 5 5 THR CA C 5 56.748 56.748 59.338 -2.590 19034 6747 1 15 . 1 1 5 5 THR CB C 5 69.859 69.859 71.970 -2.111 19034 6748 1 15 . 1 1 5 5 THR H H 5 6.242 6.242 7.425 -1.183 19034 6749 1 15 . 1 1 6 6 GLU N N 6 114.417 114.417 119.582 -5.165 19034 6750 1 15 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.291 -0.116 19034 6751 1 15 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.189 -1.765 19034 6752 1 15 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.337 -3.208 19034 6753 1 15 . 1 1 6 6 GLU H H 6 10.185 10.185 8.892 1.293 19034 6754 1 15 . 1 1 7 7 VAL N N 7 119.290 119.290 121.511 -2.221 19034 6755 1 15 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.221 0.817 19034 6756 1 15 . 1 1 7 7 VAL CA C 7 58.276 58.276 62.007 -3.731 19034 6757 1 15 . 1 1 7 7 VAL CB C 7 30.522 30.522 31.184 -0.662 19034 6758 1 15 . 1 1 7 7 VAL H H 7 8.270 8.270 7.246 1.024 19034 6759 1 15 . 1 1 8 8 LEU N N 8 130.138 130.138 128.584 1.554 19034 6760 1 15 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.407 0.234 19034 6761 1 15 . 1 1 8 8 LEU CA C 8 49.788 49.788 54.730 -4.942 19034 6762 1 15 . 1 1 8 8 LEU CB C 8 43.885 43.885 42.334 1.551 19034 6763 1 15 . 1 1 8 8 LEU H H 8 9.316 9.316 8.905 0.411 19034 6764 1 15 . 1 1 9 9 CYS N N 9 123.769 123.769 127.573 -3.804 19034 6765 1 15 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.832 0.207 19034 6766 1 15 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.496 -4.248 19034 6767 1 15 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.136 -1.908 19034 6768 1 15 . 1 1 9 9 CYS H H 9 8.902 8.902 8.497 0.405 19034 6769 1 15 . 1 1 10 10 LEU N N 10 127.313 127.313 125.889 1.424 19034 6770 1 15 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.175 -0.591 19034 6771 1 15 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.026 -1.658 19034 6772 1 15 . 1 1 10 10 LEU CB C 10 40.709 40.709 45.620 -4.912 19034 6773 1 15 . 1 1 10 10 LEU H H 10 9.203 9.203 8.839 0.364 19034 6774 1 15 . 1 1 11 11 MET N N 11 124.158 124.158 117.558 6.600 19034 6775 1 15 . 1 1 11 11 MET HA H 11 4.481 4.481 4.767 -0.286 19034 6776 1 15 . 1 1 11 11 MET CA C 11 52.655 52.655 54.744 -2.089 19034 6777 1 15 . 1 1 11 11 MET CB C 11 33.156 33.156 37.104 -3.948 19034 6778 1 15 . 1 1 11 11 MET H H 11 9.161 9.161 7.786 1.375 19034 6779 1 15 . 1 1 12 12 ASN N N 12 114.067 114.067 113.669 0.398 19034 6780 1 15 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.303 -0.022 19034 6781 1 15 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.632 -2.947 19034 6782 1 15 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.425 -1.111 19034 6783 1 15 . 1 1 12 12 ASN H H 12 8.842 8.842 8.956 -0.114 19034 6784 1 15 . 1 1 13 13 MET N N 13 118.202 118.202 117.206 0.996 19034 6785 1 15 . 1 1 13 13 MET HA H 13 3.952 3.952 4.245 -0.293 19034 6786 1 15 . 1 1 13 13 MET CA C 13 55.132 55.132 58.841 -3.709 19034 6787 1 15 . 1 1 13 13 MET CB C 13 31.944 31.944 33.518 -1.574 19034 6788 1 15 . 1 1 13 13 MET H H 13 8.519 8.519 7.990 0.529 19034 6789 1 15 . 1 1 14 14 VAL N N 14 110.436 110.436 111.882 -1.446 19034 6790 1 15 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.176 0.276 19034 6791 1 15 . 1 1 14 14 VAL CA C 14 55.821 55.821 61.386 -5.566 19034 6792 1 15 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.185 -0.431 19034 6793 1 15 . 1 1 14 14 VAL H H 14 6.949 6.949 7.845 -0.896 19034 6794 1 15 . 1 1 15 15 LEU N N 15 123.248 123.248 119.474 3.774 19034 6795 1 15 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.788 -0.009 19034 6796 1 15 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.895 -3.014 19034 6797 1 15 . 1 1 15 15 LEU CB C 15 39.500 39.500 43.583 -4.083 19034 6798 1 15 . 1 1 15 15 LEU H H 15 8.346 8.346 8.186 0.160 19034 6799 1 15 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.415 -0.532 19034 6800 1 15 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.164 -8.058 19034 6801 1 15 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.907 -2.393 19034 6802 1 15 . 1 1 17 17 GLU N N 17 119.496 119.496 114.712 4.784 19034 6803 1 15 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.517 -0.406 19034 6804 1 15 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.176 -1.681 19034 6805 1 15 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.465 -2.578 19034 6806 1 15 . 1 1 17 17 GLU H H 17 7.754 7.754 8.361 -0.608 19034 6807 1 15 . 1 1 18 18 GLU N N 18 112.697 112.697 118.938 -6.241 19034 6808 1 15 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.572 -0.594 19034 6809 1 15 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.980 0.305 19034 6810 1 15 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.823 -4.747 19034 6811 1 15 . 1 1 18 18 GLU H H 18 8.975 8.975 7.958 1.017 19034 6812 1 15 . 1 1 19 19 LEU N N 19 113.096 113.096 120.215 -7.119 19034 6813 1 15 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.634 -0.215 19034 6814 1 15 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.789 -3.840 19034 6815 1 15 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.320 -1.977 19034 6816 1 15 . 1 1 19 19 LEU H H 19 7.266 7.266 8.075 -0.809 19034 6817 1 15 . 1 1 20 20 LEU N N 20 119.130 119.130 117.267 1.863 19034 6818 1 15 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.271 -0.233 19034 6819 1 15 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.734 -0.732 19034 6820 1 15 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.867 -1.601 19034 6821 1 15 . 1 1 20 20 LEU H H 20 7.102 7.102 7.819 -0.717 19034 6822 1 15 . 1 1 21 21 ASP N N 21 120.713 120.713 120.430 0.283 19034 6823 1 15 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.539 0.068 19034 6824 1 15 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.393 -4.587 19034 6825 1 15 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.199 -0.632 19034 6826 1 15 . 1 1 21 21 ASP H H 21 8.071 8.071 7.975 0.096 19034 6827 1 15 . 1 1 22 22 ASP N N 22 126.353 126.353 125.116 1.237 19034 6828 1 15 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.257 -0.015 19034 6829 1 15 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.704 -1.054 19034 6830 1 15 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.290 -3.207 19034 6831 1 15 . 1 1 22 22 ASP H H 22 8.835 8.835 8.663 0.172 19034 6832 1 15 . 1 1 23 23 GLU N N 23 119.623 119.623 118.942 0.681 19034 6833 1 15 . 1 1 23 23 GLU HA H 23 4.066 4.066 3.996 0.070 19034 6834 1 15 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.609 -2.769 19034 6835 1 15 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.510 -3.098 19034 6836 1 15 . 1 1 23 23 GLU H H 23 8.177 8.177 8.703 -0.526 19034 6837 1 15 . 1 1 24 24 GLU N N 24 121.959 121.959 119.790 2.169 19034 6838 1 15 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.040 -0.044 19034 6839 1 15 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.864 -2.503 19034 6840 1 15 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.512 -3.055 19034 6841 1 15 . 1 1 24 24 GLU H H 24 8.218 8.218 8.346 -0.128 19034 6842 1 15 . 1 1 25 25 TYR N N 25 119.522 119.522 120.153 -0.631 19034 6843 1 15 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.070 -0.119 19034 6844 1 15 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.900 -2.253 19034 6845 1 15 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.465 -2.460 19034 6846 1 15 . 1 1 25 25 TYR H H 25 8.694 8.694 7.802 0.892 19034 6847 1 15 . 1 1 26 26 GLU N N 26 116.410 116.410 117.903 -1.493 19034 6848 1 15 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.055 -0.353 19034 6849 1 15 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.193 -2.864 19034 6850 1 15 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.688 -3.510 19034 6851 1 15 . 1 1 26 26 GLU H H 26 7.852 7.852 8.138 -0.286 19034 6852 1 15 . 1 1 27 27 GLU N N 27 118.895 118.895 119.707 -0.812 19034 6853 1 15 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.044 -0.123 19034 6854 1 15 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.133 -2.688 19034 6855 1 15 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.394 -3.154 19034 6856 1 15 . 1 1 27 27 GLU H H 27 7.555 7.555 7.857 -0.302 19034 6857 1 15 . 1 1 28 28 ILE N N 28 121.720 121.720 120.009 1.711 19034 6858 1 15 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.564 0.078 19034 6859 1 15 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.375 -3.020 19034 6860 1 15 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.745 -2.679 19034 6861 1 15 . 1 1 28 28 ILE H H 28 7.918 7.918 8.080 -0.162 19034 6862 1 15 . 1 1 29 29 VAL N N 29 119.336 119.336 118.078 1.258 19034 6863 1 15 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.553 -0.518 19034 6864 1 15 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.358 -1.751 19034 6865 1 15 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.688 -1.624 19034 6866 1 15 . 1 1 29 29 VAL H H 29 7.832 7.832 7.502 0.330 19034 6867 1 15 . 1 1 30 30 GLU N N 30 116.291 116.291 119.747 -3.456 19034 6868 1 15 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.045 -0.168 19034 6869 1 15 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.457 -3.396 19034 6870 1 15 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.210 -3.099 19034 6871 1 15 . 1 1 30 30 GLU H H 30 7.405 7.405 7.506 -0.101 19034 6872 1 15 . 1 1 31 31 ASP N N 31 120.811 120.811 120.372 0.439 19034 6873 1 15 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.377 -0.003 19034 6874 1 15 . 1 1 31 31 ASP CA C 31 54.532 54.532 56.962 -2.430 19034 6875 1 15 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.699 -3.414 19034 6876 1 15 . 1 1 31 31 ASP H H 31 8.471 8.471 7.735 0.736 19034 6877 1 15 . 1 1 32 32 VAL N N 32 121.006 121.006 119.122 1.884 19034 6878 1 15 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.594 -0.183 19034 6879 1 15 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.491 -1.276 19034 6880 1 15 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.572 -3.027 19034 6881 1 15 . 1 1 32 32 VAL H H 32 8.655 8.655 7.706 0.949 19034 6882 1 15 . 1 1 33 33 ARG N N 33 122.143 122.143 120.323 1.820 19034 6883 1 15 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.849 -0.356 19034 6884 1 15 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.654 -1.223 19034 6885 1 15 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.709 -2.477 19034 6886 1 15 . 1 1 33 33 ARG H H 33 8.507 8.507 7.467 1.040 19034 6887 1 15 . 1 1 34 34 ASP N N 34 120.971 120.971 118.331 2.640 19034 6888 1 15 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.311 -0.055 19034 6889 1 15 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.810 -2.710 19034 6890 1 15 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.935 -2.860 19034 6891 1 15 . 1 1 34 34 ASP H H 34 8.633 8.633 7.922 0.711 19034 6892 1 15 . 1 1 35 35 GLU N N 35 119.918 119.918 118.549 1.369 19034 6893 1 15 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.081 -0.017 19034 6894 1 15 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.861 -2.430 19034 6895 1 15 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.426 -2.566 19034 6896 1 15 . 1 1 35 35 GLU H H 35 8.184 8.184 8.097 0.087 19034 6897 1 15 . 1 1 36 36 CYS N N 36 114.288 114.288 119.432 -5.144 19034 6898 1 15 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.540 -0.166 19034 6899 1 15 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.235 1.308 19034 6900 1 15 . 1 1 36 36 CYS CB C 36 24.910 24.910 28.063 -3.153 19034 6901 1 15 . 1 1 36 36 CYS H H 36 8.584 8.584 8.187 0.397 19034 6902 1 15 . 1 1 37 37 SER N N 37 114.987 114.987 115.796 -0.809 19034 6903 1 15 . 1 1 37 37 SER HA H 37 5.135 5.135 4.459 0.676 19034 6904 1 15 . 1 1 37 37 SER CA C 37 58.124 58.124 60.898 -2.774 19034 6905 1 15 . 1 1 37 37 SER CB C 37 60.481 60.481 62.499 -2.018 19034 6906 1 15 . 1 1 37 37 SER H H 37 8.164 8.164 8.178 -0.014 19034 6907 1 15 . 1 1 38 38 LYS N N 38 119.574 119.574 121.211 -1.637 19034 6908 1 15 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.008 -0.204 19034 6909 1 15 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.666 -3.176 19034 6910 1 15 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.456 -3.085 19034 6911 1 15 . 1 1 38 38 LYS H H 38 7.111 7.111 7.523 -0.412 19034 6912 1 15 . 1 1 39 39 TYR N N 39 116.372 116.372 115.878 0.494 19034 6913 1 15 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.616 -0.312 19034 6914 1 15 . 1 1 39 39 TYR CA C 39 55.924 55.924 58.173 -2.249 19034 6915 1 15 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.815 -2.693 19034 6916 1 15 . 1 1 39 39 TYR H H 39 7.576 7.576 8.162 -0.586 19034 6917 1 15 . 1 1 40 40 GLY N N 40 103.718 103.718 105.234 -1.516 19034 6918 1 15 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.463 -3.277 19034 6919 1 15 . 1 1 40 40 GLY H H 40 7.380 7.380 7.501 -0.121 19034 6920 1 15 . 1 1 41 41 LEU N N 41 118.877 118.877 122.603 -3.726 19034 6921 1 15 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.961 -0.629 19034 6922 1 15 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.770 -0.700 19034 6923 1 15 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.937 -4.978 19034 6924 1 15 . 1 1 41 41 LEU H H 41 8.260 8.260 9.477 -1.217 19034 6925 1 15 . 1 1 42 42 VAL N N 42 127.032 127.032 127.192 -0.160 19034 6926 1 15 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.540 -0.033 19034 6927 1 15 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.213 -3.265 19034 6928 1 15 . 1 1 42 42 VAL CB C 42 30.002 30.002 30.884 -0.882 19034 6929 1 15 . 1 1 42 42 VAL H H 42 8.598 8.598 8.649 -0.051 19034 6930 1 15 . 1 1 43 43 LYS N N 43 130.977 130.977 129.091 1.886 19034 6931 1 15 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.191 -0.065 19034 6932 1 15 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.124 -3.102 19034 6933 1 15 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.398 -1.305 19034 6934 1 15 . 1 1 43 43 LYS H H 43 9.307 9.307 8.921 0.386 19034 6935 1 15 . 1 1 44 44 SER N N 44 110.453 110.453 109.914 0.539 19034 6936 1 15 . 1 1 44 44 SER HA H 44 4.492 4.492 4.674 -0.182 19034 6937 1 15 . 1 1 44 44 SER CA C 44 55.890 55.890 57.309 -1.419 19034 6938 1 15 . 1 1 44 44 SER CB C 44 62.940 62.940 65.968 -3.028 19034 6939 1 15 . 1 1 44 44 SER H H 44 7.938 7.938 7.675 0.263 19034 6940 1 15 . 1 1 45 45 ILE N N 45 118.542 118.542 119.989 -1.447 19034 6941 1 15 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.816 0.234 19034 6942 1 15 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.854 -3.323 19034 6943 1 15 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.288 -0.968 19034 6944 1 15 . 1 1 45 45 ILE H H 45 8.136 8.136 8.534 -0.398 19034 6945 1 15 . 1 1 46 46 GLU N N 46 125.456 125.456 127.807 -2.351 19034 6946 1 15 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.574 0.126 19034 6947 1 15 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.222 -2.755 19034 6948 1 15 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.362 -0.599 19034 6949 1 15 . 1 1 46 46 GLU H H 46 9.364 9.364 9.210 0.154 19034 6950 1 15 . 1 1 47 47 ILE N N 47 122.471 122.471 125.695 -3.224 19034 6951 1 15 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.711 -0.006 19034 6952 1 15 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.288 -1.953 19034 6953 1 15 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.661 -2.873 19034 6954 1 15 . 1 1 47 47 ILE H H 47 8.672 8.672 8.631 0.041 19034 6955 1 15 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.436 -2.560 19034 6956 1 15 . 1 1 49 49 ARG N N 49 120.907 120.907 118.817 2.090 19034 6957 1 15 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.630 0.077 19034 6958 1 15 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.125 -0.197 19034 6959 1 15 . 1 1 49 49 ARG H H 49 7.944 7.944 8.166 -0.222 19034 6960 1 15 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.480 -0.088 19034 6961 1 15 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.393 -1.765 19034 6962 1 15 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.156 -2.530 19034 6963 1 15 . 1 1 51 51 VAL N N 51 121.425 121.425 124.608 -3.183 19034 6964 1 15 . 1 1 51 51 VAL HA H 51 3.987 3.987 3.909 0.078 19034 6965 1 15 . 1 1 51 51 VAL CA C 51 58.857 58.857 62.485 -3.628 19034 6966 1 15 . 1 1 51 51 VAL CB C 51 32.238 32.238 30.636 1.602 19034 6967 1 15 . 1 1 51 51 VAL H H 51 7.992 7.992 8.386 -0.394 19034 6968 1 15 . 1 1 52 52 ASP N N 52 127.160 127.160 128.262 -1.102 19034 6969 1 15 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.342 -0.105 19034 6970 1 15 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.119 -1.831 19034 6971 1 15 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.482 -2.532 19034 6972 1 15 . 1 1 52 52 ASP H H 52 8.746 8.746 9.087 -0.341 19034 6973 1 15 . 1 1 53 53 GLY N N 53 108.483 108.483 103.442 5.041 19034 6974 1 15 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.675 -1.701 19034 6975 1 15 . 1 1 53 53 GLY H H 53 8.589 8.589 8.049 0.540 19034 6976 1 15 . 1 1 54 54 VAL N N 54 120.874 120.874 122.462 -1.588 19034 6977 1 15 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.085 0.074 19034 6978 1 15 . 1 1 54 54 VAL CA C 54 58.489 58.489 62.037 -3.548 19034 6979 1 15 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.001 -0.968 19034 6980 1 15 . 1 1 54 54 VAL H H 54 7.804 7.804 7.936 -0.132 19034 6981 1 15 . 1 1 55 55 GLU N N 55 126.140 126.140 125.019 1.121 19034 6982 1 15 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.414 -0.241 19034 6983 1 15 . 1 1 55 55 GLU CA C 55 53.696 53.696 55.919 -2.223 19034 6984 1 15 . 1 1 55 55 GLU CB C 55 26.760 26.760 29.870 -3.110 19034 6985 1 15 . 1 1 55 55 GLU H H 55 8.578 8.578 8.380 0.198 19034 6986 1 15 . 1 1 56 56 VAL N N 56 124.648 124.648 119.756 4.892 19034 6987 1 15 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.522 -0.167 19034 6988 1 15 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.031 -0.960 19034 6989 1 15 . 1 1 56 56 VAL CB C 56 29.806 29.806 31.875 -2.069 19034 6990 1 15 . 1 1 56 56 VAL H H 56 7.661 7.661 8.351 -0.690 19034 6991 1 15 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.203 -0.086 19034 6992 1 15 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.674 -2.433 19034 6993 1 15 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.496 -2.251 19034 6994 1 15 . 1 1 58 58 GLY N N 58 109.755 109.755 111.396 -1.641 19034 6995 1 15 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.270 -2.423 19034 6996 1 15 . 1 1 58 58 GLY H H 58 8.577 8.577 8.594 -0.017 19034 6997 1 15 . 1 1 59 59 CYS N N 59 118.400 118.400 120.627 -2.227 19034 6998 1 15 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.400 -0.345 19034 6999 1 15 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.234 -1.910 19034 7000 1 15 . 1 1 59 59 CYS CB C 59 24.178 24.178 27.669 -3.491 19034 7001 1 15 . 1 1 59 59 CYS H H 59 7.631 7.631 7.444 0.187 19034 7002 1 15 . 1 1 60 60 GLY N N 60 119.002 119.002 115.732 3.270 19034 7003 1 15 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.500 -3.361 19034 7004 1 15 . 1 1 60 60 GLY H H 60 10.447 10.447 8.704 1.743 19034 7005 1 15 . 1 1 61 61 LYS N N 61 122.250 122.250 121.377 0.873 19034 7006 1 15 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.591 -0.260 19034 7007 1 15 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.489 -2.545 19034 7008 1 15 . 1 1 61 61 LYS CB C 61 33.173 33.173 32.953 0.220 19034 7009 1 15 . 1 1 61 61 LYS H H 61 8.233 8.233 7.324 0.908 19034 7010 1 15 . 1 1 62 62 ILE N N 62 118.312 118.312 119.755 -1.443 19034 7011 1 15 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.697 -0.401 19034 7012 1 15 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.470 -2.084 19034 7013 1 15 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.993 -2.990 19034 7014 1 15 . 1 1 62 62 ILE H H 62 7.272 7.272 7.919 -0.647 19034 7015 1 15 . 1 1 63 63 PHE N N 63 125.445 125.445 123.502 1.943 19034 7016 1 15 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.260 0.040 19034 7017 1 15 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.241 -2.747 19034 7018 1 15 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.811 -2.020 19034 7019 1 15 . 1 1 63 63 PHE H H 63 8.876 8.876 8.934 -0.058 19034 7020 1 15 . 1 1 64 64 VAL N N 64 122.504 122.504 123.589 -1.085 19034 7021 1 15 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.632 -0.312 19034 7022 1 15 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.010 -2.482 19034 7023 1 15 . 1 1 64 64 VAL CB C 64 32.571 32.571 33.591 -1.020 19034 7024 1 15 . 1 1 64 64 VAL H H 64 9.161 9.161 9.147 0.014 19034 7025 1 15 . 1 1 65 65 GLU N N 65 127.687 127.687 127.312 0.375 19034 7026 1 15 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.616 0.061 19034 7027 1 15 . 1 1 65 65 GLU CA C 65 51.445 51.445 55.790 -4.345 19034 7028 1 15 . 1 1 65 65 GLU CB C 65 28.559 28.559 31.837 -3.278 19034 7029 1 15 . 1 1 65 65 GLU H H 65 8.601 8.601 8.537 0.064 19034 7030 1 15 . 1 1 66 66 PHE N N 66 126.672 126.672 122.104 4.568 19034 7031 1 15 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.267 -0.174 19034 7032 1 15 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.730 -1.545 19034 7033 1 15 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.661 -3.520 19034 7034 1 15 . 1 1 66 66 PHE H H 66 9.352 9.352 8.525 0.827 19034 7035 1 15 . 1 1 67 67 THR N N 67 109.616 109.616 113.466 -3.850 19034 7036 1 15 . 1 1 67 67 THR HA H 67 4.248 4.248 4.329 -0.081 19034 7037 1 15 . 1 1 67 67 THR CA C 67 60.963 60.963 64.105 -3.142 19034 7038 1 15 . 1 1 67 67 THR CB C 67 66.974 66.974 69.543 -2.569 19034 7039 1 15 . 1 1 67 67 THR H H 67 9.072 9.072 8.777 0.295 19034 7040 1 15 . 1 1 68 68 SER N N 68 111.776 111.776 115.477 -3.701 19034 7041 1 15 . 1 1 68 68 SER HA H 68 4.922 4.922 4.994 -0.072 19034 7042 1 15 . 1 1 68 68 SER CA C 68 53.411 53.411 56.577 -3.166 19034 7043 1 15 . 1 1 68 68 SER CB C 68 63.507 63.507 66.308 -2.801 19034 7044 1 15 . 1 1 68 68 SER H H 68 7.511 7.511 8.711 -1.200 19034 7045 1 15 . 1 1 69 69 VAL N N 69 123.476 123.476 121.996 1.480 19034 7046 1 15 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.879 -0.474 19034 7047 1 15 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.013 -2.425 19034 7048 1 15 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.966 -3.088 19034 7049 1 15 . 1 1 69 69 VAL H H 69 8.854 8.854 8.908 -0.054 19034 7050 1 15 . 1 1 70 70 PHE N N 70 119.530 119.530 115.972 3.558 19034 7051 1 15 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.421 -0.192 19034 7052 1 15 . 1 1 70 70 PHE CA C 70 57.902 57.902 59.479 -1.577 19034 7053 1 15 . 1 1 70 70 PHE CB C 70 36.263 36.263 39.673 -3.410 19034 7054 1 15 . 1 1 70 70 PHE H H 70 7.673 7.673 8.161 -0.488 19034 7055 1 15 . 1 1 71 71 ASP N N 71 120.024 120.024 119.547 0.477 19034 7056 1 15 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.581 -0.405 19034 7057 1 15 . 1 1 71 71 ASP CA C 71 54.306 54.306 55.393 -1.087 19034 7058 1 15 . 1 1 71 71 ASP CB C 71 37.867 37.867 41.326 -3.459 19034 7059 1 15 . 1 1 71 71 ASP H H 71 7.585 7.585 7.852 -0.267 19034 7060 1 15 . 1 1 72 72 CYS N N 72 119.689 119.689 117.119 2.570 19034 7061 1 15 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.380 0.416 19034 7062 1 15 . 1 1 72 72 CYS CA C 72 57.147 57.147 60.944 -3.797 19034 7063 1 15 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.218 -1.869 19034 7064 1 15 . 1 1 72 72 CYS H H 72 7.087 7.087 7.310 -0.223 19034 7065 1 15 . 1 1 73 73 GLN N N 73 117.350 117.350 119.374 -2.024 19034 7066 1 15 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.050 0.356 19034 7067 1 15 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.444 -2.083 19034 7068 1 15 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.494 -1.611 19034 7069 1 15 . 1 1 73 73 GLN H H 73 8.478 8.478 8.531 -0.053 19034 7070 1 15 . 1 1 74 74 LYS N N 74 119.692 119.692 119.499 0.193 19034 7071 1 15 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.199 -0.425 19034 7072 1 15 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.539 -1.712 19034 7073 1 15 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.585 -3.083 19034 7074 1 15 . 1 1 74 74 LYS H H 74 7.468 7.468 7.294 0.174 19034 7075 1 15 . 1 1 75 75 ALA N N 75 124.287 124.287 123.029 1.258 19034 7076 1 15 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.123 -0.528 19034 7077 1 15 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.022 -3.326 19034 7078 1 15 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.451 -1.360 19034 7079 1 15 . 1 1 75 75 ALA H H 75 7.549 7.549 7.390 0.159 19034 7080 1 15 . 1 1 76 76 MET N N 76 118.919 118.919 116.684 2.235 19034 7081 1 15 . 1 1 76 76 MET HA H 76 3.490 3.490 3.867 -0.377 19034 7082 1 15 . 1 1 76 76 MET CA C 76 56.956 56.956 58.393 -1.437 19034 7083 1 15 . 1 1 76 76 MET CB C 76 28.966 28.966 31.510 -2.544 19034 7084 1 15 . 1 1 76 76 MET H H 76 8.700 8.700 8.222 0.478 19034 7085 1 15 . 1 1 77 77 GLN N N 77 118.282 118.282 118.961 -0.679 19034 7086 1 15 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.112 -0.256 19034 7087 1 15 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.647 -2.947 19034 7088 1 15 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.397 -2.616 19034 7089 1 15 . 1 1 77 77 GLN H H 77 7.798 7.798 7.819 -0.021 19034 7090 1 15 . 1 1 78 78 GLY N N 78 106.137 106.137 107.444 -1.307 19034 7091 1 15 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.829 -3.081 19034 7092 1 15 . 1 1 78 78 GLY H H 78 7.797 7.797 7.733 0.064 19034 7093 1 15 . 1 1 79 79 LEU N N 79 118.753 118.753 116.270 2.483 19034 7094 1 15 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.607 -0.417 19034 7095 1 15 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.480 -0.217 19034 7096 1 15 . 1 1 79 79 LEU CB C 79 40.914 40.914 41.943 -1.029 19034 7097 1 15 . 1 1 79 79 LEU H H 79 8.039 8.039 7.659 0.380 19034 7098 1 15 . 1 1 80 80 THR N N 80 114.360 114.360 116.608 -2.248 19034 7099 1 15 . 1 1 80 80 THR HA H 80 3.550 3.550 4.090 -0.540 19034 7100 1 15 . 1 1 80 80 THR CA C 80 63.539 63.539 63.588 -0.049 19034 7101 1 15 . 1 1 80 80 THR CB C 80 66.102 66.102 68.066 -1.964 19034 7102 1 15 . 1 1 80 80 THR H H 80 7.177 7.177 7.595 -0.418 19034 7103 1 15 . 1 1 81 81 GLY N N 81 115.554 115.554 107.035 8.519 19034 7104 1 15 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.028 -2.035 19034 7105 1 15 . 1 1 81 81 GLY H H 81 8.680 8.680 7.813 0.867 19034 7106 1 15 . 1 1 82 82 ARG N N 82 120.945 120.945 121.717 -0.772 19034 7107 1 15 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.300 -0.207 19034 7108 1 15 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.983 -3.537 19034 7109 1 15 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.333 -3.185 19034 7110 1 15 . 1 1 82 82 ARG H H 82 7.520 7.520 7.496 0.024 19034 7111 1 15 . 1 1 83 83 LYS N N 83 121.584 121.584 119.615 1.969 19034 7112 1 15 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.851 0.157 19034 7113 1 15 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.198 -2.476 19034 7114 1 15 . 1 1 83 83 LYS CB C 83 31.590 31.590 32.596 -1.006 19034 7115 1 15 . 1 1 83 83 LYS H H 83 8.165 8.165 8.694 -0.529 19034 7116 1 15 . 1 1 84 84 PHE N N 84 125.104 125.104 120.563 4.541 19034 7117 1 15 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.375 0.062 19034 7118 1 15 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.776 -3.003 19034 7119 1 15 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.432 0.655 19034 7120 1 15 . 1 1 84 84 PHE H H 84 8.656 8.656 8.773 -0.117 19034 7121 1 15 . 1 1 85 85 ALA N N 85 127.849 127.849 121.118 6.731 19034 7122 1 15 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.203 -0.435 19034 7123 1 15 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.838 -1.790 19034 7124 1 15 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.301 -5.180 19034 7125 1 15 . 1 1 85 85 ALA H H 85 8.831 8.831 7.717 1.114 19034 7126 1 15 . 1 1 86 86 ASN N N 86 113.065 113.065 116.461 -3.396 19034 7127 1 15 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.798 -0.440 19034 7128 1 15 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.390 -1.981 19034 7129 1 15 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.929 -4.207 19034 7130 1 15 . 1 1 86 86 ASN H H 86 8.406 8.406 8.476 -0.070 19034 7131 1 15 . 1 1 87 87 ARG N N 87 121.167 121.167 120.502 0.665 19034 7132 1 15 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.584 -0.063 19034 7133 1 15 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.712 -1.926 19034 7134 1 15 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.556 -1.676 19034 7135 1 15 . 1 1 87 87 ARG H H 87 8.250 8.250 8.167 0.083 19034 7136 1 15 . 1 1 88 88 VAL N N 88 121.437 121.437 121.361 0.076 19034 7137 1 15 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.415 -0.141 19034 7138 1 15 . 1 1 88 88 VAL CA C 88 59.281 59.281 61.474 -2.193 19034 7139 1 15 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.589 -2.299 19034 7140 1 15 . 1 1 88 88 VAL H H 88 8.279 8.279 8.204 0.075 19034 7141 1 15 . 1 1 89 89 VAL N N 89 127.754 127.754 128.807 -1.053 19034 7142 1 15 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.394 -0.282 19034 7143 1 15 . 1 1 89 89 VAL CA C 89 61.131 61.131 61.156 -0.025 19034 7144 1 15 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.340 -3.232 19034 7145 1 15 . 1 1 89 89 VAL H H 89 8.601 8.601 8.793 -0.192 19034 7146 1 15 . 1 1 90 90 VAL N N 90 127.874 127.874 121.310 6.564 19034 7147 1 15 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.471 -0.150 19034 7148 1 15 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.646 -2.157 19034 7149 1 15 . 1 1 90 90 VAL CB C 90 32.346 32.346 35.867 -3.521 19034 7150 1 15 . 1 1 90 90 VAL H H 90 7.866 7.866 7.968 -0.102 19034 7151 1 15 . 1 1 91 91 THR N N 91 114.187 114.187 117.164 -2.977 19034 7152 1 15 . 1 1 91 91 THR HA H 91 5.528 5.528 4.932 0.596 19034 7153 1 15 . 1 1 91 91 THR CA C 91 56.193 56.193 59.285 -3.091 19034 7154 1 15 . 1 1 91 91 THR CB C 91 69.553 69.553 70.492 -0.938 19034 7155 1 15 . 1 1 91 91 THR H H 91 8.119 8.119 7.921 0.198 19034 7156 1 15 . 1 1 92 92 LYS N N 92 116.111 116.111 120.647 -4.536 19034 7157 1 15 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.442 -0.096 19034 7158 1 15 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.431 -2.777 19034 7159 1 15 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.493 -2.607 19034 7160 1 15 . 1 1 92 92 LYS H H 92 8.199 8.199 8.056 0.143 19034 7161 1 15 . 1 1 93 93 TYR N N 93 121.017 121.017 120.236 0.781 19034 7162 1 15 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.409 0.551 19034 7163 1 15 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.103 -2.693 19034 7164 1 15 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.870 -2.330 19034 7165 1 15 . 1 1 93 93 TYR H H 93 8.450 8.450 8.480 -0.030 19034 7166 1 15 . 1 1 94 94 CYS N N 94 119.566 119.566 121.051 -1.485 19034 7167 1 15 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.858 -0.046 19034 7168 1 15 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.703 -2.702 19034 7169 1 15 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.253 -3.667 19034 7170 1 15 . 1 1 94 94 CYS H H 94 8.614 8.614 8.442 0.172 19034 7171 1 15 . 1 1 95 95 ASP N N 95 128.707 128.707 120.293 8.414 19034 7172 1 15 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.013 -0.176 19034 7173 1 15 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.582 -2.572 19034 7174 1 15 . 1 1 95 95 ASP CB C 95 39.716 39.716 43.499 -3.784 19034 7175 1 15 . 1 1 95 95 ASP H H 95 8.969 8.969 8.884 0.085 19034 7176 1 15 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.484 -2.749 19034 7177 1 15 . 1 1 97 97 ASP N N 97 118.102 118.102 119.771 -1.669 19034 7178 1 15 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.507 -0.078 19034 7179 1 15 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.901 -2.860 19034 7180 1 15 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.711 -2.952 19034 7181 1 15 . 1 1 97 97 ASP H H 97 8.189 8.189 8.756 -0.567 19034 7182 1 15 . 1 1 98 98 SER N N 98 116.394 116.394 111.244 5.150 19034 7183 1 15 . 1 1 98 98 SER HA H 98 3.961 3.961 4.300 -0.339 19034 7184 1 15 . 1 1 98 98 SER CA C 98 59.519 59.519 59.708 -0.189 19034 7185 1 15 . 1 1 98 98 SER H H 98 7.792 7.792 8.405 -0.613 19034 7186 1 15 . 1 1 99 99 TYR N N 99 121.890 121.890 121.990 -0.100 19034 7187 1 15 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.378 -0.636 19034 7188 1 15 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.413 -1.617 19034 7189 1 15 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.833 -3.658 19034 7190 1 15 . 1 1 99 99 TYR H H 99 7.625 7.625 7.644 -0.019 19034 7191 1 15 . 1 1 100 100 HIS N N 100 118.065 118.065 116.225 1.840 19034 7192 1 15 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.399 -0.269 19034 7193 1 15 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.195 -2.587 19034 7194 1 15 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.338 -4.544 19034 7195 1 15 . 1 1 100 100 HIS H H 100 8.425 8.425 7.911 0.514 19034 7196 1 15 . 1 1 101 101 ARG N N 101 116.756 116.756 118.031 -1.275 19034 7197 1 15 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.569 -0.468 19034 7198 1 15 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.094 -0.454 19034 7199 1 15 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.636 -4.527 19034 7200 1 15 . 1 1 101 101 ARG H H 101 7.406 7.406 7.710 -0.304 19034 7201 1 15 . 1 1 102 102 ARG N N 102 115.254 115.254 121.208 -5.954 19034 7202 1 15 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.089 -0.789 19034 7203 1 15 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.580 -1.994 19034 7204 1 15 . 1 1 102 102 ARG CB C 102 25.084 25.084 28.706 -3.622 19034 7205 1 15 . 1 1 102 102 ARG H H 102 7.297 7.297 8.654 -1.357 19034 7206 1 15 . 1 1 103 103 ASP N N 103 119.588 119.588 121.070 -1.482 19034 7207 1 15 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.503 -0.157 19034 7208 1 15 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.623 -3.042 19034 7209 1 15 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.471 -1.722 19034 7210 1 15 . 1 1 103 103 ASP H H 103 7.467 7.467 7.441 0.026 19034 7211 1 15 . 1 1 104 104 PHE N N 104 120.438 120.438 121.013 -0.575 19034 7212 1 15 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.514 -0.174 19034 7213 1 15 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.650 -3.949 19034 7214 1 15 . 1 1 104 104 PHE CB C 104 36.842 36.842 36.867 -0.025 19034 7215 1 15 . 1 1 104 104 PHE H H 104 7.138 7.138 7.020 0.118 19034 7216 1 16 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.362 -1.905 19034 7217 1 16 . 1 1 3 3 HIS N N 3 118.891 118.891 116.057 2.834 19034 7218 1 16 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.694 0.139 19034 7219 1 16 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.348 -2.830 19034 7220 1 16 . 1 1 3 3 HIS CB C 3 26.412 26.412 30.869 -4.457 19034 7221 1 16 . 1 1 3 3 HIS H H 3 8.079 8.079 7.659 0.420 19034 7222 1 16 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.581 -1.565 19034 7223 1 16 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.911 -2.944 19034 7224 1 16 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.617 -1.679 19034 7225 1 16 . 1 1 5 5 THR N N 5 113.236 113.236 113.692 -0.456 19034 7226 1 16 . 1 1 5 5 THR HA H 5 4.430 4.430 4.575 -0.145 19034 7227 1 16 . 1 1 5 5 THR CA C 5 56.748 56.748 59.519 -2.771 19034 7228 1 16 . 1 1 5 5 THR CB C 5 69.859 69.859 71.121 -1.262 19034 7229 1 16 . 1 1 5 5 THR H H 5 6.242 6.242 7.832 -1.590 19034 7230 1 16 . 1 1 6 6 GLU N N 6 114.417 114.417 119.561 -5.144 19034 7231 1 16 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.320 -0.145 19034 7232 1 16 . 1 1 6 6 GLU CA C 6 55.424 55.424 58.973 -3.549 19034 7233 1 16 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.735 -3.606 19034 7234 1 16 . 1 1 6 6 GLU H H 6 10.185 10.185 8.731 1.454 19034 7235 1 16 . 1 1 7 7 VAL N N 7 119.290 119.290 112.481 6.809 19034 7236 1 16 . 1 1 7 7 VAL HA H 7 5.038 5.038 5.225 -0.187 19034 7237 1 16 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.179 -0.903 19034 7238 1 16 . 1 1 7 7 VAL CB C 7 30.522 30.522 35.278 -4.756 19034 7239 1 16 . 1 1 7 7 VAL H H 7 8.270 8.270 7.579 0.691 19034 7240 1 16 . 1 1 8 8 LEU N N 8 130.138 130.138 126.331 3.807 19034 7241 1 16 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.272 -0.631 19034 7242 1 16 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.049 -3.261 19034 7243 1 16 . 1 1 8 8 LEU CB C 8 43.885 43.885 45.273 -1.388 19034 7244 1 16 . 1 1 8 8 LEU H H 8 9.316 9.316 9.058 0.258 19034 7245 1 16 . 1 1 9 9 CYS N N 9 123.769 123.769 124.172 -0.403 19034 7246 1 16 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.145 -0.106 19034 7247 1 16 . 1 1 9 9 CYS CA C 9 53.248 53.248 55.686 -2.438 19034 7248 1 16 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.645 -3.417 19034 7249 1 16 . 1 1 9 9 CYS H H 9 8.902 8.902 9.163 -0.261 19034 7250 1 16 . 1 1 10 10 LEU N N 10 127.313 127.313 123.846 3.467 19034 7251 1 16 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.228 -0.644 19034 7252 1 16 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.205 -1.837 19034 7253 1 16 . 1 1 10 10 LEU CB C 10 40.709 40.709 44.955 -4.246 19034 7254 1 16 . 1 1 10 10 LEU H H 10 9.203 9.203 8.907 0.296 19034 7255 1 16 . 1 1 11 11 MET N N 11 124.158 124.158 122.067 2.091 19034 7256 1 16 . 1 1 11 11 MET HA H 11 4.481 4.481 4.744 -0.263 19034 7257 1 16 . 1 1 11 11 MET CA C 11 52.655 52.655 53.769 -1.114 19034 7258 1 16 . 1 1 11 11 MET CB C 11 33.156 33.156 34.897 -1.741 19034 7259 1 16 . 1 1 11 11 MET H H 11 9.161 9.161 8.514 0.647 19034 7260 1 16 . 1 1 12 12 ASN N N 12 114.067 114.067 113.410 0.657 19034 7261 1 16 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.283 -0.002 19034 7262 1 16 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.762 -3.077 19034 7263 1 16 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.307 -0.993 19034 7264 1 16 . 1 1 12 12 ASN H H 12 8.842 8.842 9.135 -0.293 19034 7265 1 16 . 1 1 13 13 MET N N 13 118.202 118.202 117.994 0.208 19034 7266 1 16 . 1 1 13 13 MET HA H 13 3.952 3.952 4.340 -0.388 19034 7267 1 16 . 1 1 13 13 MET CA C 13 55.132 55.132 58.266 -3.134 19034 7268 1 16 . 1 1 13 13 MET CB C 13 31.944 31.944 33.597 -1.653 19034 7269 1 16 . 1 1 13 13 MET H H 13 8.519 8.519 8.172 0.347 19034 7270 1 16 . 1 1 14 14 VAL N N 14 110.436 110.436 113.713 -3.277 19034 7271 1 16 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.153 0.299 19034 7272 1 16 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.893 -5.072 19034 7273 1 16 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.145 -0.391 19034 7274 1 16 . 1 1 14 14 VAL H H 14 6.949 6.949 8.039 -1.090 19034 7275 1 16 . 1 1 15 15 LEU N N 15 123.248 123.248 118.150 5.098 19034 7276 1 16 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.893 -0.114 19034 7277 1 16 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.777 -2.896 19034 7278 1 16 . 1 1 15 15 LEU CB C 15 39.500 39.500 44.054 -4.554 19034 7279 1 16 . 1 1 15 15 LEU H H 15 8.346 8.346 8.239 0.107 19034 7280 1 16 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.492 -0.609 19034 7281 1 16 . 1 1 16 16 PRO CA C 16 56.106 56.106 63.874 -7.769 19034 7282 1 16 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.939 -2.426 19034 7283 1 16 . 1 1 17 17 GLU N N 17 119.496 119.496 115.848 3.648 19034 7284 1 16 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.536 -0.425 19034 7285 1 16 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.189 -1.694 19034 7286 1 16 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.561 -2.673 19034 7287 1 16 . 1 1 17 17 GLU H H 17 7.754 7.754 8.321 -0.567 19034 7288 1 16 . 1 1 18 18 GLU N N 18 112.697 112.697 119.159 -6.462 19034 7289 1 16 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.610 -0.632 19034 7290 1 16 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.797 0.488 19034 7291 1 16 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.875 -4.798 19034 7292 1 16 . 1 1 18 18 GLU H H 18 8.975 8.975 7.965 1.010 19034 7293 1 16 . 1 1 19 19 LEU N N 19 113.096 113.096 119.983 -6.887 19034 7294 1 16 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.725 -0.306 19034 7295 1 16 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.143 -3.194 19034 7296 1 16 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.304 -1.961 19034 7297 1 16 . 1 1 19 19 LEU H H 19 7.266 7.266 7.783 -0.517 19034 7298 1 16 . 1 1 20 20 LEU N N 20 119.130 119.130 117.197 1.933 19034 7299 1 16 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.522 -0.484 19034 7300 1 16 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.709 -0.707 19034 7301 1 16 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.763 -2.497 19034 7302 1 16 . 1 1 20 20 LEU H H 20 7.102 7.102 7.875 -0.773 19034 7303 1 16 . 1 1 21 21 ASP N N 21 120.713 120.713 122.090 -1.377 19034 7304 1 16 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.576 0.031 19034 7305 1 16 . 1 1 21 21 ASP CA C 21 50.806 50.806 55.034 -4.228 19034 7306 1 16 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.886 -0.319 19034 7307 1 16 . 1 1 21 21 ASP H H 21 8.071 8.071 8.070 0.001 19034 7308 1 16 . 1 1 22 22 ASP N N 22 126.353 126.353 125.259 1.094 19034 7309 1 16 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.224 0.018 19034 7310 1 16 . 1 1 22 22 ASP CA C 22 55.650 55.650 57.527 -1.877 19034 7311 1 16 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.864 -2.781 19034 7312 1 16 . 1 1 22 22 ASP H H 22 8.835 8.835 8.335 0.500 19034 7313 1 16 . 1 1 23 23 GLU N N 23 119.623 119.623 118.998 0.625 19034 7314 1 16 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.075 -0.009 19034 7315 1 16 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.236 -2.396 19034 7316 1 16 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.415 -3.003 19034 7317 1 16 . 1 1 23 23 GLU H H 23 8.177 8.177 8.658 -0.481 19034 7318 1 16 . 1 1 24 24 GLU N N 24 121.959 121.959 120.101 1.858 19034 7319 1 16 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.121 -0.125 19034 7320 1 16 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.954 -2.593 19034 7321 1 16 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.398 -2.941 19034 7322 1 16 . 1 1 24 24 GLU H H 24 8.218 8.218 8.305 -0.087 19034 7323 1 16 . 1 1 25 25 TYR N N 25 119.522 119.522 120.425 -0.903 19034 7324 1 16 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.032 -0.081 19034 7325 1 16 . 1 1 25 25 TYR CA C 25 59.647 59.647 62.199 -2.552 19034 7326 1 16 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.484 -2.479 19034 7327 1 16 . 1 1 25 25 TYR H H 25 8.694 8.694 8.376 0.318 19034 7328 1 16 . 1 1 26 26 GLU N N 26 116.410 116.410 117.419 -1.009 19034 7329 1 16 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.195 -0.493 19034 7330 1 16 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.021 -2.692 19034 7331 1 16 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.669 -3.491 19034 7332 1 16 . 1 1 26 26 GLU H H 26 7.852 7.852 7.940 -0.088 19034 7333 1 16 . 1 1 27 27 GLU N N 27 118.895 118.895 120.089 -1.194 19034 7334 1 16 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.081 -0.160 19034 7335 1 16 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.111 -2.667 19034 7336 1 16 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.497 -3.257 19034 7337 1 16 . 1 1 27 27 GLU H H 27 7.555 7.555 7.686 -0.131 19034 7338 1 16 . 1 1 28 28 ILE N N 28 121.720 121.720 120.280 1.440 19034 7339 1 16 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.695 -0.053 19034 7340 1 16 . 1 1 28 28 ILE CA C 28 62.355 62.355 65.073 -2.718 19034 7341 1 16 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.769 -2.703 19034 7342 1 16 . 1 1 28 28 ILE H H 28 7.918 7.918 8.381 -0.463 19034 7343 1 16 . 1 1 29 29 VAL N N 29 119.336 119.336 118.869 0.467 19034 7344 1 16 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.441 -0.406 19034 7345 1 16 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.719 -2.112 19034 7346 1 16 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.773 -1.708 19034 7347 1 16 . 1 1 29 29 VAL H H 29 7.832 7.832 8.033 -0.201 19034 7348 1 16 . 1 1 30 30 GLU N N 30 116.291 116.291 119.587 -3.296 19034 7349 1 16 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.044 -0.167 19034 7350 1 16 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.463 -3.402 19034 7351 1 16 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.084 -2.973 19034 7352 1 16 . 1 1 30 30 GLU H H 30 7.405 7.405 7.680 -0.275 19034 7353 1 16 . 1 1 31 31 ASP N N 31 120.811 120.811 119.412 1.399 19034 7354 1 16 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.468 -0.094 19034 7355 1 16 . 1 1 31 31 ASP CA C 31 54.532 54.532 56.784 -2.252 19034 7356 1 16 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.840 -3.555 19034 7357 1 16 . 1 1 31 31 ASP H H 31 8.471 8.471 8.125 0.346 19034 7358 1 16 . 1 1 32 32 VAL N N 32 121.006 121.006 119.561 1.445 19034 7359 1 16 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.583 -0.172 19034 7360 1 16 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.989 -0.774 19034 7361 1 16 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.228 -2.683 19034 7362 1 16 . 1 1 32 32 VAL H H 32 8.655 8.655 7.413 1.242 19034 7363 1 16 . 1 1 33 33 ARG N N 33 122.143 122.143 121.499 0.644 19034 7364 1 16 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.956 -0.463 19034 7365 1 16 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.864 -1.433 19034 7366 1 16 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.877 -2.645 19034 7367 1 16 . 1 1 33 33 ARG H H 33 8.507 8.507 8.285 0.222 19034 7368 1 16 . 1 1 34 34 ASP N N 34 120.971 120.971 117.120 3.851 19034 7369 1 16 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.375 -0.119 19034 7370 1 16 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.178 -2.078 19034 7371 1 16 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.866 -2.790 19034 7372 1 16 . 1 1 34 34 ASP H H 34 8.633 8.633 7.839 0.794 19034 7373 1 16 . 1 1 35 35 GLU N N 35 119.918 119.918 119.147 0.771 19034 7374 1 16 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.066 -0.002 19034 7375 1 16 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.941 -2.510 19034 7376 1 16 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.260 -2.400 19034 7377 1 16 . 1 1 35 35 GLU H H 35 8.184 8.184 7.802 0.382 19034 7378 1 16 . 1 1 36 36 CYS N N 36 114.288 114.288 117.395 -3.107 19034 7379 1 16 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.575 -0.201 19034 7380 1 16 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.359 1.184 19034 7381 1 16 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.597 -2.687 19034 7382 1 16 . 1 1 36 36 CYS H H 36 8.584 8.584 8.162 0.422 19034 7383 1 16 . 1 1 37 37 SER N N 37 114.987 114.987 117.665 -2.678 19034 7384 1 16 . 1 1 37 37 SER HA H 37 5.135 5.135 4.600 0.535 19034 7385 1 16 . 1 1 37 37 SER CA C 37 58.124 58.124 61.176 -3.052 19034 7386 1 16 . 1 1 37 37 SER CB C 37 60.481 60.481 62.762 -2.281 19034 7387 1 16 . 1 1 37 37 SER H H 37 8.164 8.164 8.438 -0.274 19034 7388 1 16 . 1 1 38 38 LYS N N 38 119.574 119.574 120.862 -1.288 19034 7389 1 16 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.887 -0.083 19034 7390 1 16 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.276 -2.786 19034 7391 1 16 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.098 -2.727 19034 7392 1 16 . 1 1 38 38 LYS H H 38 7.111 7.111 7.489 -0.378 19034 7393 1 16 . 1 1 39 39 TYR N N 39 116.372 116.372 115.151 1.221 19034 7394 1 16 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.687 -0.383 19034 7395 1 16 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.364 -1.440 19034 7396 1 16 . 1 1 39 39 TYR CB C 39 37.122 37.122 40.001 -2.879 19034 7397 1 16 . 1 1 39 39 TYR H H 39 7.576 7.576 7.649 -0.073 19034 7398 1 16 . 1 1 40 40 GLY N N 40 103.718 103.718 105.360 -1.642 19034 7399 1 16 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.582 -3.396 19034 7400 1 16 . 1 1 40 40 GLY H H 40 7.380 7.380 7.620 -0.240 19034 7401 1 16 . 1 1 41 41 LEU N N 41 118.877 118.877 122.419 -3.542 19034 7402 1 16 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.847 -0.515 19034 7403 1 16 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.475 -0.405 19034 7404 1 16 . 1 1 41 41 LEU CB C 41 39.959 39.959 43.099 -3.140 19034 7405 1 16 . 1 1 41 41 LEU H H 41 8.260 8.260 8.863 -0.603 19034 7406 1 16 . 1 1 42 42 VAL N N 42 127.032 127.032 127.347 -0.315 19034 7407 1 16 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.186 0.321 19034 7408 1 16 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.234 -3.286 19034 7409 1 16 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.511 -1.509 19034 7410 1 16 . 1 1 42 42 VAL H H 42 8.598 8.598 8.594 0.004 19034 7411 1 16 . 1 1 43 43 LYS N N 43 130.977 130.977 128.251 2.726 19034 7412 1 16 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.097 0.029 19034 7413 1 16 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.273 -3.251 19034 7414 1 16 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.209 -1.115 19034 7415 1 16 . 1 1 43 43 LYS H H 43 9.307 9.307 8.505 0.802 19034 7416 1 16 . 1 1 44 44 SER N N 44 110.453 110.453 109.652 0.801 19034 7417 1 16 . 1 1 44 44 SER HA H 44 4.492 4.492 4.594 -0.102 19034 7418 1 16 . 1 1 44 44 SER CA C 44 55.890 55.890 57.862 -1.972 19034 7419 1 16 . 1 1 44 44 SER CB C 44 62.940 62.940 66.388 -3.448 19034 7420 1 16 . 1 1 44 44 SER H H 44 7.938 7.938 7.721 0.217 19034 7421 1 16 . 1 1 45 45 ILE N N 45 118.542 118.542 119.957 -1.415 19034 7422 1 16 . 1 1 45 45 ILE HA H 45 5.050 5.050 5.048 0.002 19034 7423 1 16 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.327 -2.796 19034 7424 1 16 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.864 -1.544 19034 7425 1 16 . 1 1 45 45 ILE H H 45 8.136 8.136 8.314 -0.178 19034 7426 1 16 . 1 1 46 46 GLU N N 46 125.456 125.456 124.587 0.869 19034 7427 1 16 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.740 -0.040 19034 7428 1 16 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.398 -1.931 19034 7429 1 16 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.557 -1.794 19034 7430 1 16 . 1 1 46 46 GLU H H 46 9.364 9.364 9.234 0.130 19034 7431 1 16 . 1 1 47 47 ILE N N 47 122.471 122.471 126.701 -4.230 19034 7432 1 16 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.667 0.038 19034 7433 1 16 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.644 -2.309 19034 7434 1 16 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.233 -2.445 19034 7435 1 16 . 1 1 47 47 ILE H H 47 8.672 8.672 8.439 0.233 19034 7436 1 16 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.493 -2.617 19034 7437 1 16 . 1 1 49 49 ARG N N 49 120.907 120.907 121.947 -1.040 19034 7438 1 16 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.748 -0.041 19034 7439 1 16 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.547 -1.619 19034 7440 1 16 . 1 1 49 49 ARG H H 49 7.944 7.944 8.316 -0.372 19034 7441 1 16 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.419 -0.027 19034 7442 1 16 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.741 -2.113 19034 7443 1 16 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.369 -2.743 19034 7444 1 16 . 1 1 51 51 VAL N N 51 121.425 121.425 123.229 -1.804 19034 7445 1 16 . 1 1 51 51 VAL HA H 51 3.987 3.987 3.969 0.018 19034 7446 1 16 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.696 -2.839 19034 7447 1 16 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.380 -1.142 19034 7448 1 16 . 1 1 51 51 VAL H H 51 7.992 7.992 8.522 -0.530 19034 7449 1 16 . 1 1 52 52 ASP N N 52 127.160 127.160 124.838 2.322 19034 7450 1 16 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.444 -0.207 19034 7451 1 16 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.557 -2.269 19034 7452 1 16 . 1 1 52 52 ASP CB C 52 37.950 37.950 39.360 -1.410 19034 7453 1 16 . 1 1 52 52 ASP H H 52 8.746 8.746 8.640 0.106 19034 7454 1 16 . 1 1 53 53 GLY N N 53 108.483 108.483 111.616 -3.133 19034 7455 1 16 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.912 -1.938 19034 7456 1 16 . 1 1 53 53 GLY H H 53 8.589 8.589 8.438 0.151 19034 7457 1 16 . 1 1 54 54 VAL N N 54 120.874 120.874 123.099 -2.225 19034 7458 1 16 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.366 -0.207 19034 7459 1 16 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.043 -1.554 19034 7460 1 16 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.418 -1.385 19034 7461 1 16 . 1 1 54 54 VAL H H 54 7.804 7.804 7.209 0.595 19034 7462 1 16 . 1 1 55 55 GLU N N 55 126.140 126.140 126.474 -0.334 19034 7463 1 16 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.254 -0.081 19034 7464 1 16 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.631 -2.935 19034 7465 1 16 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.204 -3.444 19034 7466 1 16 . 1 1 55 55 GLU H H 55 8.578 8.578 8.627 -0.049 19034 7467 1 16 . 1 1 56 56 VAL N N 56 124.648 124.648 115.880 8.768 19034 7468 1 16 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.462 -0.107 19034 7469 1 16 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.143 -1.073 19034 7470 1 16 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.695 -2.889 19034 7471 1 16 . 1 1 56 56 VAL H H 56 7.661 7.661 7.803 -0.142 19034 7472 1 16 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.454 -0.337 19034 7473 1 16 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.045 -1.804 19034 7474 1 16 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.490 -2.245 19034 7475 1 16 . 1 1 58 58 GLY N N 58 109.755 109.755 112.952 -3.197 19034 7476 1 16 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.285 -2.438 19034 7477 1 16 . 1 1 58 58 GLY H H 58 8.577 8.577 8.720 -0.143 19034 7478 1 16 . 1 1 59 59 CYS N N 59 118.400 118.400 119.442 -1.042 19034 7479 1 16 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.457 -0.402 19034 7480 1 16 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.266 -0.942 19034 7481 1 16 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.941 -4.763 19034 7482 1 16 . 1 1 59 59 CYS H H 59 7.631 7.631 8.172 -0.541 19034 7483 1 16 . 1 1 60 60 GLY N N 60 119.002 119.002 112.939 6.063 19034 7484 1 16 . 1 1 60 60 GLY CA C 60 42.139 42.139 44.998 -2.859 19034 7485 1 16 . 1 1 60 60 GLY H H 60 10.447 10.447 8.660 1.787 19034 7486 1 16 . 1 1 61 61 LYS N N 61 122.250 122.250 119.786 2.464 19034 7487 1 16 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.881 -0.550 19034 7488 1 16 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.780 -1.836 19034 7489 1 16 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.127 -0.954 19034 7490 1 16 . 1 1 61 61 LYS H H 61 8.233 8.233 7.319 0.914 19034 7491 1 16 . 1 1 62 62 ILE N N 62 118.312 118.312 118.654 -0.342 19034 7492 1 16 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.967 -0.671 19034 7493 1 16 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.768 -2.382 19034 7494 1 16 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.344 -3.341 19034 7495 1 16 . 1 1 62 62 ILE H H 62 7.272 7.272 8.173 -0.901 19034 7496 1 16 . 1 1 63 63 PHE N N 63 125.445 125.445 123.608 1.837 19034 7497 1 16 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.355 -0.055 19034 7498 1 16 . 1 1 63 63 PHE CA C 63 53.494 53.494 55.977 -2.483 19034 7499 1 16 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.296 -2.505 19034 7500 1 16 . 1 1 63 63 PHE H H 63 8.876 8.876 8.741 0.135 19034 7501 1 16 . 1 1 64 64 VAL N N 64 122.504 122.504 121.754 0.750 19034 7502 1 16 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.717 -0.397 19034 7503 1 16 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.556 -3.028 19034 7504 1 16 . 1 1 64 64 VAL CB C 64 32.571 32.571 34.255 -1.684 19034 7505 1 16 . 1 1 64 64 VAL H H 64 9.161 9.161 9.281 -0.120 19034 7506 1 16 . 1 1 65 65 GLU N N 65 127.687 127.687 127.516 0.171 19034 7507 1 16 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.353 0.324 19034 7508 1 16 . 1 1 65 65 GLU CA C 65 51.445 51.445 55.468 -4.023 19034 7509 1 16 . 1 1 65 65 GLU CB C 65 28.559 28.559 31.114 -2.555 19034 7510 1 16 . 1 1 65 65 GLU H H 65 8.601 8.601 8.591 0.010 19034 7511 1 16 . 1 1 66 66 PHE N N 66 126.672 126.672 124.800 1.872 19034 7512 1 16 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.260 -0.167 19034 7513 1 16 . 1 1 66 66 PHE CA C 66 55.185 55.185 57.189 -2.004 19034 7514 1 16 . 1 1 66 66 PHE CB C 66 39.141 39.141 41.740 -2.599 19034 7515 1 16 . 1 1 66 66 PHE H H 66 9.352 9.352 9.047 0.305 19034 7516 1 16 . 1 1 67 67 THR N N 67 109.616 109.616 115.102 -5.486 19034 7517 1 16 . 1 1 67 67 THR HA H 67 4.248 4.248 4.357 -0.109 19034 7518 1 16 . 1 1 67 67 THR CA C 67 60.963 60.963 62.559 -1.596 19034 7519 1 16 . 1 1 67 67 THR CB C 67 66.974 66.974 69.515 -2.541 19034 7520 1 16 . 1 1 67 67 THR H H 67 9.072 9.072 8.637 0.435 19034 7521 1 16 . 1 1 68 68 SER N N 68 111.776 111.776 114.062 -2.286 19034 7522 1 16 . 1 1 68 68 SER HA H 68 4.922 4.922 5.003 -0.081 19034 7523 1 16 . 1 1 68 68 SER CA C 68 53.411 53.411 57.663 -4.252 19034 7524 1 16 . 1 1 68 68 SER CB C 68 63.507 63.507 66.260 -2.753 19034 7525 1 16 . 1 1 68 68 SER H H 68 7.511 7.511 7.688 -0.177 19034 7526 1 16 . 1 1 69 69 VAL N N 69 123.476 123.476 123.229 0.247 19034 7527 1 16 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.997 -0.592 19034 7528 1 16 . 1 1 69 69 VAL CA C 69 62.588 62.588 64.591 -2.003 19034 7529 1 16 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.558 -2.680 19034 7530 1 16 . 1 1 69 69 VAL H H 69 8.854 8.854 8.833 0.021 19034 7531 1 16 . 1 1 70 70 PHE N N 70 119.530 119.530 120.020 -0.490 19034 7532 1 16 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.110 0.119 19034 7533 1 16 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.963 -5.061 19034 7534 1 16 . 1 1 70 70 PHE CB C 70 36.263 36.263 37.587 -1.324 19034 7535 1 16 . 1 1 70 70 PHE H H 70 7.673 7.673 8.216 -0.543 19034 7536 1 16 . 1 1 71 71 ASP N N 71 120.024 120.024 120.249 -0.225 19034 7537 1 16 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.511 -0.335 19034 7538 1 16 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.704 -3.398 19034 7539 1 16 . 1 1 71 71 ASP CB C 71 37.867 37.867 39.992 -2.125 19034 7540 1 16 . 1 1 71 71 ASP H H 71 7.585 7.585 8.653 -1.068 19034 7541 1 16 . 1 1 72 72 CYS N N 72 119.689 119.689 118.799 0.890 19034 7542 1 16 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.099 -0.303 19034 7543 1 16 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.788 -5.641 19034 7544 1 16 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.460 -2.111 19034 7545 1 16 . 1 1 72 72 CYS H H 72 7.087 7.087 7.772 -0.685 19034 7546 1 16 . 1 1 73 73 GLN N N 73 117.350 117.350 118.770 -1.420 19034 7547 1 16 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.166 0.240 19034 7548 1 16 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.989 -2.628 19034 7549 1 16 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.741 -1.858 19034 7550 1 16 . 1 1 73 73 GLN H H 73 8.478 8.478 8.155 0.323 19034 7551 1 16 . 1 1 74 74 LYS N N 74 119.692 119.692 119.168 0.524 19034 7552 1 16 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.088 -0.314 19034 7553 1 16 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.805 -1.978 19034 7554 1 16 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.410 -2.908 19034 7555 1 16 . 1 1 74 74 LYS H H 74 7.468 7.468 7.860 -0.392 19034 7556 1 16 . 1 1 75 75 ALA N N 75 124.287 124.287 123.556 0.731 19034 7557 1 16 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.614 -1.019 19034 7558 1 16 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.041 -3.345 19034 7559 1 16 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.068 -0.977 19034 7560 1 16 . 1 1 75 75 ALA H H 75 7.549 7.549 8.195 -0.646 19034 7561 1 16 . 1 1 76 76 MET N N 76 118.919 118.919 117.279 1.640 19034 7562 1 16 . 1 1 76 76 MET HA H 76 3.490 3.490 3.732 -0.242 19034 7563 1 16 . 1 1 76 76 MET CA C 76 56.956 56.956 59.191 -2.236 19034 7564 1 16 . 1 1 76 76 MET CB C 76 28.966 28.966 31.495 -2.529 19034 7565 1 16 . 1 1 76 76 MET H H 76 8.700 8.700 8.279 0.421 19034 7566 1 16 . 1 1 77 77 GLN N N 77 118.282 118.282 117.289 0.993 19034 7567 1 16 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.074 -0.218 19034 7568 1 16 . 1 1 77 77 GLN CA C 77 55.700 55.700 58.396 -2.696 19034 7569 1 16 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.191 -2.410 19034 7570 1 16 . 1 1 77 77 GLN H H 77 7.798 7.798 7.740 0.058 19034 7571 1 16 . 1 1 78 78 GLY N N 78 106.137 106.137 107.743 -1.606 19034 7572 1 16 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.430 -2.682 19034 7573 1 16 . 1 1 78 78 GLY H H 78 7.797 7.797 7.681 0.116 19034 7574 1 16 . 1 1 79 79 LEU N N 79 118.753 118.753 118.688 0.065 19034 7575 1 16 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.641 -0.451 19034 7576 1 16 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.768 -0.505 19034 7577 1 16 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.443 -1.528 19034 7578 1 16 . 1 1 79 79 LEU H H 79 8.039 8.039 7.576 0.463 19034 7579 1 16 . 1 1 80 80 THR N N 80 114.360 114.360 117.602 -3.242 19034 7580 1 16 . 1 1 80 80 THR HA H 80 3.550 3.550 4.077 -0.527 19034 7581 1 16 . 1 1 80 80 THR CA C 80 63.539 63.539 64.655 -1.116 19034 7582 1 16 . 1 1 80 80 THR CB C 80 66.102 66.102 68.550 -2.448 19034 7583 1 16 . 1 1 80 80 THR H H 80 7.177 7.177 7.325 -0.148 19034 7584 1 16 . 1 1 81 81 GLY N N 81 115.554 115.554 114.697 0.857 19034 7585 1 16 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.127 -2.134 19034 7586 1 16 . 1 1 81 81 GLY H H 81 8.680 8.680 8.366 0.314 19034 7587 1 16 . 1 1 82 82 ARG N N 82 120.945 120.945 121.122 -0.177 19034 7588 1 16 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.422 -0.329 19034 7589 1 16 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.733 -2.287 19034 7590 1 16 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.481 -3.333 19034 7591 1 16 . 1 1 82 82 ARG H H 82 7.520 7.520 7.914 -0.394 19034 7592 1 16 . 1 1 83 83 LYS N N 83 121.584 121.584 119.971 1.613 19034 7593 1 16 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.139 -0.131 19034 7594 1 16 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.472 -2.750 19034 7595 1 16 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.212 -1.622 19034 7596 1 16 . 1 1 83 83 LYS H H 83 8.165 8.165 8.548 -0.383 19034 7597 1 16 . 1 1 84 84 PHE N N 84 125.104 125.104 122.233 2.871 19034 7598 1 16 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.686 -0.249 19034 7599 1 16 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.164 -2.391 19034 7600 1 16 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.740 0.347 19034 7601 1 16 . 1 1 84 84 PHE H H 84 8.656 8.656 8.751 -0.095 19034 7602 1 16 . 1 1 85 85 ALA N N 85 127.849 127.849 121.130 6.719 19034 7603 1 16 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.250 -0.482 19034 7604 1 16 . 1 1 85 85 ALA CA C 85 51.048 51.048 53.017 -1.969 19034 7605 1 16 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.377 -5.256 19034 7606 1 16 . 1 1 85 85 ALA H H 85 8.831 8.831 7.821 1.010 19034 7607 1 16 . 1 1 86 86 ASN N N 86 113.065 113.065 115.948 -2.883 19034 7608 1 16 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.762 -0.403 19034 7609 1 16 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.690 -2.281 19034 7610 1 16 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.893 -4.171 19034 7611 1 16 . 1 1 86 86 ASN H H 86 8.406 8.406 8.485 -0.079 19034 7612 1 16 . 1 1 87 87 ARG N N 87 121.167 121.167 120.097 1.070 19034 7613 1 16 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.688 -0.167 19034 7614 1 16 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.141 -1.355 19034 7615 1 16 . 1 1 87 87 ARG CB C 87 29.880 29.880 33.570 -3.690 19034 7616 1 16 . 1 1 87 87 ARG H H 87 8.250 8.250 8.079 0.171 19034 7617 1 16 . 1 1 88 88 VAL N N 88 121.437 121.437 122.011 -0.574 19034 7618 1 16 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.083 0.191 19034 7619 1 16 . 1 1 88 88 VAL CA C 88 59.281 59.281 63.006 -3.725 19034 7620 1 16 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.517 -1.226 19034 7621 1 16 . 1 1 88 88 VAL H H 88 8.279 8.279 8.444 -0.165 19034 7622 1 16 . 1 1 89 89 VAL N N 89 127.754 127.754 127.994 -0.240 19034 7623 1 16 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.032 0.080 19034 7624 1 16 . 1 1 89 89 VAL CA C 89 61.131 61.131 62.597 -1.466 19034 7625 1 16 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.703 -2.595 19034 7626 1 16 . 1 1 89 89 VAL H H 89 8.601 8.601 8.457 0.144 19034 7627 1 16 . 1 1 90 90 VAL N N 90 127.874 127.874 123.435 4.439 19034 7628 1 16 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.273 0.048 19034 7629 1 16 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.952 -1.463 19034 7630 1 16 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.478 -2.132 19034 7631 1 16 . 1 1 90 90 VAL H H 90 7.866 7.866 7.980 -0.114 19034 7632 1 16 . 1 1 91 91 THR N N 91 114.187 114.187 117.159 -2.972 19034 7633 1 16 . 1 1 91 91 THR HA H 91 5.528 5.528 5.260 0.268 19034 7634 1 16 . 1 1 91 91 THR CA C 91 56.193 56.193 59.496 -3.303 19034 7635 1 16 . 1 1 91 91 THR CB C 91 69.553 69.553 70.688 -1.135 19034 7636 1 16 . 1 1 91 91 THR H H 91 8.119 8.119 8.166 -0.047 19034 7637 1 16 . 1 1 92 92 LYS N N 92 116.111 116.111 124.260 -8.149 19034 7638 1 16 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.469 -0.123 19034 7639 1 16 . 1 1 92 92 LYS CA C 92 52.654 52.654 53.440 -0.786 19034 7640 1 16 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.754 -3.867 19034 7641 1 16 . 1 1 92 92 LYS H H 92 8.199 8.199 8.564 -0.365 19034 7642 1 16 . 1 1 93 93 TYR N N 93 121.017 121.017 118.769 2.248 19034 7643 1 16 . 1 1 93 93 TYR HA H 93 4.960 4.960 5.053 -0.093 19034 7644 1 16 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.019 -2.609 19034 7645 1 16 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.733 -3.193 19034 7646 1 16 . 1 1 93 93 TYR H H 93 8.450 8.450 8.416 0.034 19034 7647 1 16 . 1 1 94 94 CYS N N 94 119.566 119.566 118.982 0.584 19034 7648 1 16 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.762 0.050 19034 7649 1 16 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.454 -3.453 19034 7650 1 16 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.844 -3.258 19034 7651 1 16 . 1 1 94 94 CYS H H 94 8.614 8.614 8.677 -0.063 19034 7652 1 16 . 1 1 95 95 ASP N N 95 128.707 128.707 120.788 7.919 19034 7653 1 16 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.099 -0.262 19034 7654 1 16 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.050 -2.040 19034 7655 1 16 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.288 -1.571 19034 7656 1 16 . 1 1 95 95 ASP H H 95 8.969 8.969 8.895 0.074 19034 7657 1 16 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.520 -2.785 19034 7658 1 16 . 1 1 97 97 ASP N N 97 118.102 118.102 118.915 -0.813 19034 7659 1 16 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.505 -0.076 19034 7660 1 16 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.762 -2.721 19034 7661 1 16 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.584 -2.825 19034 7662 1 16 . 1 1 97 97 ASP H H 97 8.189 8.189 8.717 -0.528 19034 7663 1 16 . 1 1 98 98 SER N N 98 116.394 116.394 112.254 4.140 19034 7664 1 16 . 1 1 98 98 SER HA H 98 3.961 3.961 4.306 -0.345 19034 7665 1 16 . 1 1 98 98 SER CA C 98 59.519 59.519 60.322 -0.803 19034 7666 1 16 . 1 1 98 98 SER H H 98 7.792 7.792 8.502 -0.710 19034 7667 1 16 . 1 1 99 99 TYR N N 99 121.890 121.890 123.699 -1.809 19034 7668 1 16 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.238 -0.496 19034 7669 1 16 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.708 -1.911 19034 7670 1 16 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.323 -3.148 19034 7671 1 16 . 1 1 99 99 TYR H H 99 7.625 7.625 7.574 0.051 19034 7672 1 16 . 1 1 100 100 HIS N N 100 118.065 118.065 116.548 1.517 19034 7673 1 16 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.499 -0.369 19034 7674 1 16 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.194 -2.586 19034 7675 1 16 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.195 -4.401 19034 7676 1 16 . 1 1 100 100 HIS H H 100 8.425 8.425 7.583 0.842 19034 7677 1 16 . 1 1 101 101 ARG N N 101 116.756 116.756 119.111 -2.355 19034 7678 1 16 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.429 -0.328 19034 7679 1 16 . 1 1 101 101 ARG CA C 101 53.641 53.641 55.071 -1.429 19034 7680 1 16 . 1 1 101 101 ARG CB C 101 28.109 28.109 30.833 -2.724 19034 7681 1 16 . 1 1 101 101 ARG H H 101 7.406 7.406 7.732 -0.326 19034 7682 1 16 . 1 1 102 102 ARG N N 102 115.254 115.254 121.298 -6.044 19034 7683 1 16 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.251 -0.951 19034 7684 1 16 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.364 -1.778 19034 7685 1 16 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.132 -4.048 19034 7686 1 16 . 1 1 102 102 ARG H H 102 7.297 7.297 8.336 -1.039 19034 7687 1 16 . 1 1 103 103 ASP N N 103 119.588 119.588 124.027 -4.439 19034 7688 1 16 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.604 -0.258 19034 7689 1 16 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.774 -3.193 19034 7690 1 16 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.871 -3.122 19034 7691 1 16 . 1 1 103 103 ASP H H 103 7.467 7.467 7.554 -0.087 19034 7692 1 16 . 1 1 104 104 PHE N N 104 120.438 120.438 119.358 1.080 19034 7693 1 16 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.556 -0.216 19034 7694 1 16 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.971 -4.270 19034 7695 1 16 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.166 -2.324 19034 7696 1 16 . 1 1 104 104 PHE H H 104 7.138 7.138 7.437 -0.299 19034 7697 1 17 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.675 -2.218 19034 7698 1 17 . 1 1 3 3 HIS N N 3 118.891 118.891 119.103 -0.212 19034 7699 1 17 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.597 0.236 19034 7700 1 17 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.465 -2.947 19034 7701 1 17 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.240 -2.828 19034 7702 1 17 . 1 1 3 3 HIS H H 3 8.079 8.079 8.188 -0.109 19034 7703 1 17 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.123 -1.107 19034 7704 1 17 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.399 -2.432 19034 7705 1 17 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.650 -1.712 19034 7706 1 17 . 1 1 5 5 THR N N 5 113.236 113.236 114.945 -1.709 19034 7707 1 17 . 1 1 5 5 THR HA H 5 4.430 4.430 4.546 -0.116 19034 7708 1 17 . 1 1 5 5 THR CA C 5 56.748 56.748 59.638 -2.890 19034 7709 1 17 . 1 1 5 5 THR CB C 5 69.859 69.859 71.606 -1.747 19034 7710 1 17 . 1 1 5 5 THR H H 5 6.242 6.242 7.899 -1.657 19034 7711 1 17 . 1 1 6 6 GLU N N 6 114.417 114.417 119.217 -4.800 19034 7712 1 17 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.387 -0.212 19034 7713 1 17 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.493 -2.069 19034 7714 1 17 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.166 -3.037 19034 7715 1 17 . 1 1 6 6 GLU H H 6 10.185 10.185 8.834 1.351 19034 7716 1 17 . 1 1 7 7 VAL N N 7 119.290 119.290 113.453 5.837 19034 7717 1 17 . 1 1 7 7 VAL HA H 7 5.038 5.038 5.042 -0.004 19034 7718 1 17 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.219 -0.943 19034 7719 1 17 . 1 1 7 7 VAL CB C 7 30.522 30.522 35.379 -4.857 19034 7720 1 17 . 1 1 7 7 VAL H H 7 8.270 8.270 7.372 0.898 19034 7721 1 17 . 1 1 8 8 LEU N N 8 130.138 130.138 125.102 5.036 19034 7722 1 17 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.290 -0.649 19034 7723 1 17 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.428 -3.640 19034 7724 1 17 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.120 -2.235 19034 7725 1 17 . 1 1 8 8 LEU H H 8 9.316 9.316 9.165 0.151 19034 7726 1 17 . 1 1 9 9 CYS N N 9 123.769 123.769 126.053 -2.284 19034 7727 1 17 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.847 0.192 19034 7728 1 17 . 1 1 9 9 CYS CA C 9 53.248 53.248 58.304 -5.056 19034 7729 1 17 . 1 1 9 9 CYS CB C 9 26.228 26.228 27.978 -1.750 19034 7730 1 17 . 1 1 9 9 CYS H H 9 8.902 8.902 9.281 -0.379 19034 7731 1 17 . 1 1 10 10 LEU N N 10 127.313 127.313 125.052 2.261 19034 7732 1 17 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.506 0.078 19034 7733 1 17 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.431 -2.063 19034 7734 1 17 . 1 1 10 10 LEU CB C 10 40.709 40.709 42.301 -1.592 19034 7735 1 17 . 1 1 10 10 LEU H H 10 9.203 9.203 8.771 0.432 19034 7736 1 17 . 1 1 11 11 MET N N 11 124.158 124.158 122.596 1.562 19034 7737 1 17 . 1 1 11 11 MET HA H 11 4.481 4.481 4.517 -0.036 19034 7738 1 17 . 1 1 11 11 MET CA C 11 52.655 52.655 56.123 -3.468 19034 7739 1 17 . 1 1 11 11 MET CB C 11 33.156 33.156 34.514 -1.359 19034 7740 1 17 . 1 1 11 11 MET H H 11 9.161 9.161 7.935 1.226 19034 7741 1 17 . 1 1 12 12 ASN N N 12 114.067 114.067 113.562 0.505 19034 7742 1 17 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.287 -0.006 19034 7743 1 17 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.645 -2.960 19034 7744 1 17 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.855 -1.541 19034 7745 1 17 . 1 1 12 12 ASN H H 12 8.842 8.842 8.909 -0.067 19034 7746 1 17 . 1 1 13 13 MET N N 13 118.202 118.202 117.912 0.290 19034 7747 1 17 . 1 1 13 13 MET HA H 13 3.952 3.952 4.270 -0.318 19034 7748 1 17 . 1 1 13 13 MET CA C 13 55.132 55.132 58.157 -3.026 19034 7749 1 17 . 1 1 13 13 MET CB C 13 31.944 31.944 33.476 -1.532 19034 7750 1 17 . 1 1 13 13 MET H H 13 8.519 8.519 8.113 0.406 19034 7751 1 17 . 1 1 14 14 VAL N N 14 110.436 110.436 111.626 -1.190 19034 7752 1 17 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.621 -0.169 19034 7753 1 17 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.299 -4.478 19034 7754 1 17 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.258 -0.504 19034 7755 1 17 . 1 1 14 14 VAL H H 14 6.949 6.949 7.536 -0.587 19034 7756 1 17 . 1 1 15 15 LEU N N 15 123.248 123.248 121.067 2.181 19034 7757 1 17 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.802 -0.023 19034 7758 1 17 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.359 -2.478 19034 7759 1 17 . 1 1 15 15 LEU CB C 15 39.500 39.500 41.229 -1.729 19034 7760 1 17 . 1 1 15 15 LEU H H 15 8.346 8.346 8.885 -0.539 19034 7761 1 17 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.463 -0.580 19034 7762 1 17 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.381 -8.275 19034 7763 1 17 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.036 -2.523 19034 7764 1 17 . 1 1 17 17 GLU N N 17 119.496 119.496 114.492 5.004 19034 7765 1 17 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.508 -0.397 19034 7766 1 17 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.318 -1.823 19034 7767 1 17 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.184 -2.296 19034 7768 1 17 . 1 1 17 17 GLU H H 17 7.754 7.754 8.541 -0.787 19034 7769 1 17 . 1 1 18 18 GLU N N 18 112.697 112.697 119.742 -7.045 19034 7770 1 17 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.366 -0.388 19034 7771 1 17 . 1 1 18 18 GLU CA C 18 56.285 56.285 57.066 -0.780 19034 7772 1 17 . 1 1 18 18 GLU CB C 18 26.076 26.076 30.917 -4.841 19034 7773 1 17 . 1 1 18 18 GLU H H 18 8.975 8.975 7.780 1.195 19034 7774 1 17 . 1 1 19 19 LEU N N 19 113.096 113.096 122.588 -9.492 19034 7775 1 17 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.347 0.072 19034 7776 1 17 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.355 -4.406 19034 7777 1 17 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.393 -0.050 19034 7778 1 17 . 1 1 19 19 LEU H H 19 7.266 7.266 7.758 -0.492 19034 7779 1 17 . 1 1 20 20 LEU N N 20 119.130 119.130 118.670 0.460 19034 7780 1 17 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.548 -0.510 19034 7781 1 17 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.714 -0.712 19034 7782 1 17 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.666 -3.400 19034 7783 1 17 . 1 1 20 20 LEU H H 20 7.102 7.102 7.999 -0.897 19034 7784 1 17 . 1 1 21 21 ASP N N 21 120.713 120.713 120.601 0.112 19034 7785 1 17 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.836 -0.229 19034 7786 1 17 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.766 -2.960 19034 7787 1 17 . 1 1 21 21 ASP CB C 21 40.567 40.567 43.817 -3.250 19034 7788 1 17 . 1 1 21 21 ASP H H 21 8.071 8.071 7.741 0.330 19034 7789 1 17 . 1 1 22 22 ASP N N 22 126.353 126.353 125.054 1.299 19034 7790 1 17 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.358 -0.116 19034 7791 1 17 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.506 -0.856 19034 7792 1 17 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.371 -3.288 19034 7793 1 17 . 1 1 22 22 ASP H H 22 8.835 8.835 8.880 -0.045 19034 7794 1 17 . 1 1 23 23 GLU N N 23 119.623 119.623 119.248 0.375 19034 7795 1 17 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.137 -0.071 19034 7796 1 17 . 1 1 23 23 GLU CA C 23 56.840 56.840 59.109 -2.269 19034 7797 1 17 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.515 -3.103 19034 7798 1 17 . 1 1 23 23 GLU H H 23 8.177 8.177 8.344 -0.167 19034 7799 1 17 . 1 1 24 24 GLU N N 24 121.959 121.959 120.891 1.068 19034 7800 1 17 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.307 -0.311 19034 7801 1 17 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.091 -2.730 19034 7802 1 17 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.185 -2.728 19034 7803 1 17 . 1 1 24 24 GLU H H 24 8.218 8.218 8.518 -0.300 19034 7804 1 17 . 1 1 25 25 TYR N N 25 119.522 119.522 119.815 -0.293 19034 7805 1 17 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.094 -0.143 19034 7806 1 17 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.564 -1.917 19034 7807 1 17 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.565 -2.560 19034 7808 1 17 . 1 1 25 25 TYR H H 25 8.694 8.694 7.844 0.850 19034 7809 1 17 . 1 1 26 26 GLU N N 26 116.410 116.410 117.522 -1.112 19034 7810 1 17 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.025 -0.323 19034 7811 1 17 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.696 -2.367 19034 7812 1 17 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.636 -3.458 19034 7813 1 17 . 1 1 26 26 GLU H H 26 7.852 7.852 7.748 0.104 19034 7814 1 17 . 1 1 27 27 GLU N N 27 118.895 118.895 120.716 -1.821 19034 7815 1 17 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.004 -0.083 19034 7816 1 17 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.437 -2.992 19034 7817 1 17 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.536 -3.296 19034 7818 1 17 . 1 1 27 27 GLU H H 27 7.555 7.555 7.616 -0.061 19034 7819 1 17 . 1 1 28 28 ILE N N 28 121.720 121.720 118.142 3.578 19034 7820 1 17 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.669 -0.027 19034 7821 1 17 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.823 -2.468 19034 7822 1 17 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.684 -2.618 19034 7823 1 17 . 1 1 28 28 ILE H H 28 7.918 7.918 7.813 0.105 19034 7824 1 17 . 1 1 29 29 VAL N N 29 119.336 119.336 119.720 -0.384 19034 7825 1 17 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.586 -0.551 19034 7826 1 17 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.001 -1.394 19034 7827 1 17 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.038 -1.974 19034 7828 1 17 . 1 1 29 29 VAL H H 29 7.832 7.832 7.277 0.555 19034 7829 1 17 . 1 1 30 30 GLU N N 30 116.291 116.291 119.828 -3.537 19034 7830 1 17 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.970 -0.093 19034 7831 1 17 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.784 -3.723 19034 7832 1 17 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.050 -2.939 19034 7833 1 17 . 1 1 30 30 GLU H H 30 7.405 7.405 8.222 -0.817 19034 7834 1 17 . 1 1 31 31 ASP N N 31 120.811 120.811 119.615 1.196 19034 7835 1 17 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.367 0.007 19034 7836 1 17 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.646 -3.114 19034 7837 1 17 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.961 -3.676 19034 7838 1 17 . 1 1 31 31 ASP H H 31 8.471 8.471 8.120 0.351 19034 7839 1 17 . 1 1 32 32 VAL N N 32 121.006 121.006 119.053 1.953 19034 7840 1 17 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.539 -0.128 19034 7841 1 17 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.400 -0.185 19034 7842 1 17 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.782 -3.237 19034 7843 1 17 . 1 1 32 32 VAL H H 32 8.655 8.655 7.081 1.574 19034 7844 1 17 . 1 1 33 33 ARG N N 33 122.143 122.143 121.195 0.948 19034 7845 1 17 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.874 -0.381 19034 7846 1 17 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.854 -1.423 19034 7847 1 17 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.904 -2.672 19034 7848 1 17 . 1 1 33 33 ARG H H 33 8.507 8.507 8.168 0.339 19034 7849 1 17 . 1 1 34 34 ASP N N 34 120.971 120.971 117.336 3.635 19034 7850 1 17 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.327 -0.071 19034 7851 1 17 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.315 -2.215 19034 7852 1 17 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.961 -2.885 19034 7853 1 17 . 1 1 34 34 ASP H H 34 8.633 8.633 8.048 0.585 19034 7854 1 17 . 1 1 35 35 GLU N N 35 119.918 119.918 117.818 2.100 19034 7855 1 17 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.185 -0.121 19034 7856 1 17 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.762 -2.331 19034 7857 1 17 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.513 -2.653 19034 7858 1 17 . 1 1 35 35 GLU H H 35 8.184 8.184 7.481 0.703 19034 7859 1 17 . 1 1 36 36 CYS N N 36 114.288 114.288 118.585 -4.297 19034 7860 1 17 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.741 -0.367 19034 7861 1 17 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.298 1.245 19034 7862 1 17 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.844 -2.934 19034 7863 1 17 . 1 1 36 36 CYS H H 36 8.584 8.584 8.236 0.348 19034 7864 1 17 . 1 1 37 37 SER N N 37 114.987 114.987 117.031 -2.044 19034 7865 1 17 . 1 1 37 37 SER HA H 37 5.135 5.135 4.575 0.560 19034 7866 1 17 . 1 1 37 37 SER CA C 37 58.124 58.124 61.775 -3.651 19034 7867 1 17 . 1 1 37 37 SER CB C 37 60.481 60.481 62.897 -2.416 19034 7868 1 17 . 1 1 37 37 SER H H 37 8.164 8.164 7.887 0.277 19034 7869 1 17 . 1 1 38 38 LYS N N 38 119.574 119.574 121.002 -1.428 19034 7870 1 17 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.989 -0.185 19034 7871 1 17 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.489 -2.999 19034 7872 1 17 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.195 -2.824 19034 7873 1 17 . 1 1 38 38 LYS H H 38 7.111 7.111 7.619 -0.508 19034 7874 1 17 . 1 1 39 39 TYR N N 39 116.372 116.372 115.895 0.477 19034 7875 1 17 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.657 -0.353 19034 7876 1 17 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.571 -1.647 19034 7877 1 17 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.572 -2.450 19034 7878 1 17 . 1 1 39 39 TYR H H 39 7.576 7.576 7.945 -0.369 19034 7879 1 17 . 1 1 40 40 GLY N N 40 103.718 103.718 105.652 -1.934 19034 7880 1 17 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.439 -3.253 19034 7881 1 17 . 1 1 40 40 GLY H H 40 7.380 7.380 7.562 -0.182 19034 7882 1 17 . 1 1 41 41 LEU N N 41 118.877 118.877 123.045 -4.168 19034 7883 1 17 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.903 -0.571 19034 7884 1 17 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.341 -0.271 19034 7885 1 17 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.031 -4.072 19034 7886 1 17 . 1 1 41 41 LEU H H 41 8.260 8.260 8.895 -0.635 19034 7887 1 17 . 1 1 42 42 VAL N N 42 127.032 127.032 127.350 -0.318 19034 7888 1 17 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.752 -0.245 19034 7889 1 17 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.037 -3.089 19034 7890 1 17 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.720 -1.718 19034 7891 1 17 . 1 1 42 42 VAL H H 42 8.598 8.598 8.846 -0.248 19034 7892 1 17 . 1 1 43 43 LYS N N 43 130.977 130.977 128.098 2.879 19034 7893 1 17 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.054 0.072 19034 7894 1 17 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.490 -3.468 19034 7895 1 17 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.160 -1.067 19034 7896 1 17 . 1 1 43 43 LYS H H 43 9.307 9.307 8.602 0.705 19034 7897 1 17 . 1 1 44 44 SER N N 44 110.453 110.453 108.280 2.173 19034 7898 1 17 . 1 1 44 44 SER HA H 44 4.492 4.492 4.627 -0.135 19034 7899 1 17 . 1 1 44 44 SER CA C 44 55.890 55.890 57.262 -1.372 19034 7900 1 17 . 1 1 44 44 SER CB C 44 62.940 62.940 64.633 -1.693 19034 7901 1 17 . 1 1 44 44 SER H H 44 7.938 7.938 7.647 0.291 19034 7902 1 17 . 1 1 45 45 ILE N N 45 118.542 118.542 120.045 -1.503 19034 7903 1 17 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.715 0.335 19034 7904 1 17 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.712 -3.181 19034 7905 1 17 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.409 -1.089 19034 7906 1 17 . 1 1 45 45 ILE H H 45 8.136 8.136 8.367 -0.231 19034 7907 1 17 . 1 1 46 46 GLU N N 46 125.456 125.456 127.093 -1.637 19034 7908 1 17 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.764 -0.064 19034 7909 1 17 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.608 -2.141 19034 7910 1 17 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.583 -0.820 19034 7911 1 17 . 1 1 46 46 GLU H H 46 9.364 9.364 9.188 0.176 19034 7912 1 17 . 1 1 47 47 ILE N N 47 122.471 122.471 127.346 -4.875 19034 7913 1 17 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.541 0.164 19034 7914 1 17 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.134 -1.799 19034 7915 1 17 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.491 -1.703 19034 7916 1 17 . 1 1 47 47 ILE H H 47 8.672 8.672 8.426 0.246 19034 7917 1 17 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.886 -2.010 19034 7918 1 17 . 1 1 49 49 ARG N N 49 120.907 120.907 122.274 -1.367 19034 7919 1 17 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.771 -0.064 19034 7920 1 17 . 1 1 49 49 ARG CB C 49 29.928 29.928 29.384 0.543 19034 7921 1 17 . 1 1 49 49 ARG H H 49 7.944 7.944 8.265 -0.321 19034 7922 1 17 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.353 0.039 19034 7923 1 17 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.820 -2.192 19034 7924 1 17 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.192 -2.566 19034 7925 1 17 . 1 1 51 51 VAL N N 51 121.425 121.425 120.687 0.738 19034 7926 1 17 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.222 -0.235 19034 7927 1 17 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.539 -2.682 19034 7928 1 17 . 1 1 51 51 VAL CB C 51 32.238 32.238 33.196 -0.958 19034 7929 1 17 . 1 1 51 51 VAL H H 51 7.992 7.992 8.313 -0.321 19034 7930 1 17 . 1 1 52 52 ASP N N 52 127.160 127.160 129.738 -2.578 19034 7931 1 17 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.292 -0.055 19034 7932 1 17 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.688 -1.400 19034 7933 1 17 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.289 -2.339 19034 7934 1 17 . 1 1 52 52 ASP H H 52 8.746 8.746 9.014 -0.268 19034 7935 1 17 . 1 1 53 53 GLY N N 53 108.483 108.483 104.123 4.360 19034 7936 1 17 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.729 -1.755 19034 7937 1 17 . 1 1 53 53 GLY H H 53 8.589 8.589 8.271 0.318 19034 7938 1 17 . 1 1 54 54 VAL N N 54 120.874 120.874 121.086 -0.212 19034 7939 1 17 . 1 1 54 54 VAL HA H 54 4.159 4.159 3.998 0.161 19034 7940 1 17 . 1 1 54 54 VAL CA C 54 58.489 58.489 62.409 -3.920 19034 7941 1 17 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.810 -0.777 19034 7942 1 17 . 1 1 54 54 VAL H H 54 7.804 7.804 7.892 -0.088 19034 7943 1 17 . 1 1 55 55 GLU N N 55 126.140 126.140 125.977 0.163 19034 7944 1 17 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.465 -0.292 19034 7945 1 17 . 1 1 55 55 GLU CA C 55 53.696 53.696 55.661 -1.965 19034 7946 1 17 . 1 1 55 55 GLU CB C 55 26.760 26.760 29.326 -2.567 19034 7947 1 17 . 1 1 55 55 GLU H H 55 8.578 8.578 8.489 0.089 19034 7948 1 17 . 1 1 56 56 VAL N N 56 124.648 124.648 121.520 3.128 19034 7949 1 17 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.636 -0.281 19034 7950 1 17 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.214 -1.144 19034 7951 1 17 . 1 1 56 56 VAL CB C 56 29.806 29.806 31.824 -2.018 19034 7952 1 17 . 1 1 56 56 VAL H H 56 7.661 7.661 8.304 -0.643 19034 7953 1 17 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.455 -0.338 19034 7954 1 17 . 1 1 57 57 PRO CA C 57 61.241 61.241 64.054 -2.813 19034 7955 1 17 . 1 1 57 57 PRO CB C 57 29.245 29.245 32.075 -2.830 19034 7956 1 17 . 1 1 58 58 GLY N N 58 109.755 109.755 111.454 -1.699 19034 7957 1 17 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.076 -2.229 19034 7958 1 17 . 1 1 58 58 GLY H H 58 8.577 8.577 8.625 -0.048 19034 7959 1 17 . 1 1 59 59 CYS N N 59 118.400 118.400 119.527 -1.127 19034 7960 1 17 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.363 -0.308 19034 7961 1 17 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.974 -1.650 19034 7962 1 17 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.221 -4.043 19034 7963 1 17 . 1 1 59 59 CYS H H 59 7.631 7.631 7.670 -0.039 19034 7964 1 17 . 1 1 60 60 GLY N N 60 119.002 119.002 112.521 6.481 19034 7965 1 17 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.810 -3.671 19034 7966 1 17 . 1 1 60 60 GLY H H 60 10.447 10.447 8.362 2.085 19034 7967 1 17 . 1 1 61 61 LYS N N 61 122.250 122.250 118.765 3.485 19034 7968 1 17 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.650 -0.319 19034 7969 1 17 . 1 1 61 61 LYS CA C 61 52.944 52.944 54.630 -1.686 19034 7970 1 17 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.625 -1.452 19034 7971 1 17 . 1 1 61 61 LYS H H 61 8.233 8.233 7.090 1.143 19034 7972 1 17 . 1 1 62 62 ILE N N 62 118.312 118.312 117.867 0.445 19034 7973 1 17 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.639 -0.343 19034 7974 1 17 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.198 -1.812 19034 7975 1 17 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.373 -3.370 19034 7976 1 17 . 1 1 62 62 ILE H H 62 7.272 7.272 7.830 -0.558 19034 7977 1 17 . 1 1 63 63 PHE N N 63 125.445 125.445 121.280 4.165 19034 7978 1 17 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.643 -0.343 19034 7979 1 17 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.159 -2.665 19034 7980 1 17 . 1 1 63 63 PHE CB C 63 39.791 39.791 42.305 -2.514 19034 7981 1 17 . 1 1 63 63 PHE H H 63 8.876 8.876 8.640 0.236 19034 7982 1 17 . 1 1 64 64 VAL N N 64 122.504 122.504 118.420 4.084 19034 7983 1 17 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.732 -0.412 19034 7984 1 17 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.329 -1.801 19034 7985 1 17 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.451 -3.880 19034 7986 1 17 . 1 1 64 64 VAL H H 64 9.161 9.161 9.188 -0.027 19034 7987 1 17 . 1 1 65 65 GLU N N 65 127.687 127.687 124.878 2.809 19034 7988 1 17 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.821 -0.144 19034 7989 1 17 . 1 1 65 65 GLU CA C 65 51.445 51.445 53.866 -2.421 19034 7990 1 17 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.971 -4.412 19034 7991 1 17 . 1 1 65 65 GLU H H 65 8.601 8.601 8.485 0.116 19034 7992 1 17 . 1 1 66 66 PHE N N 66 126.672 126.672 123.495 3.177 19034 7993 1 17 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.206 -0.113 19034 7994 1 17 . 1 1 66 66 PHE CA C 66 55.185 55.185 57.033 -1.848 19034 7995 1 17 . 1 1 66 66 PHE CB C 66 39.141 39.141 41.445 -2.304 19034 7996 1 17 . 1 1 66 66 PHE H H 66 9.352 9.352 9.371 -0.019 19034 7997 1 17 . 1 1 67 67 THR N N 67 109.616 109.616 114.462 -4.846 19034 7998 1 17 . 1 1 67 67 THR HA H 67 4.248 4.248 4.344 -0.096 19034 7999 1 17 . 1 1 67 67 THR CA C 67 60.963 60.963 62.504 -1.541 19034 8000 1 17 . 1 1 67 67 THR CB C 67 66.974 66.974 68.803 -1.829 19034 8001 1 17 . 1 1 67 67 THR H H 67 9.072 9.072 8.564 0.508 19034 8002 1 17 . 1 1 68 68 SER N N 68 111.776 111.776 113.445 -1.669 19034 8003 1 17 . 1 1 68 68 SER HA H 68 4.922 4.922 4.972 -0.050 19034 8004 1 17 . 1 1 68 68 SER CA C 68 53.411 53.411 57.186 -3.775 19034 8005 1 17 . 1 1 68 68 SER CB C 68 63.507 63.507 65.626 -2.119 19034 8006 1 17 . 1 1 68 68 SER H H 68 7.511 7.511 7.497 0.014 19034 8007 1 17 . 1 1 69 69 VAL N N 69 123.476 123.476 121.522 1.954 19034 8008 1 17 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.836 -0.431 19034 8009 1 17 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.165 -2.576 19034 8010 1 17 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.140 -2.262 19034 8011 1 17 . 1 1 69 69 VAL H H 69 8.854 8.854 8.823 0.031 19034 8012 1 17 . 1 1 70 70 PHE N N 70 119.530 119.530 117.549 1.981 19034 8013 1 17 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.249 -0.020 19034 8014 1 17 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.950 -4.048 19034 8015 1 17 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.623 -2.360 19034 8016 1 17 . 1 1 70 70 PHE H H 70 7.673 7.673 8.543 -0.870 19034 8017 1 17 . 1 1 71 71 ASP N N 71 120.024 120.024 121.264 -1.240 19034 8018 1 17 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.459 -0.283 19034 8019 1 17 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.102 -2.796 19034 8020 1 17 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.386 -2.519 19034 8021 1 17 . 1 1 71 71 ASP H H 71 7.585 7.585 7.805 -0.220 19034 8022 1 17 . 1 1 72 72 CYS N N 72 119.689 119.689 119.578 0.111 19034 8023 1 17 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.529 0.267 19034 8024 1 17 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.548 -5.402 19034 8025 1 17 . 1 1 72 72 CYS CB C 72 25.349 25.349 26.756 -1.407 19034 8026 1 17 . 1 1 72 72 CYS H H 72 7.087 7.087 7.591 -0.504 19034 8027 1 17 . 1 1 73 73 GLN N N 73 117.350 117.350 117.125 0.225 19034 8028 1 17 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.116 0.290 19034 8029 1 17 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.697 -2.336 19034 8030 1 17 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.596 -1.713 19034 8031 1 17 . 1 1 73 73 GLN H H 73 8.478 8.478 8.240 0.238 19034 8032 1 17 . 1 1 74 74 LYS N N 74 119.692 119.692 119.531 0.161 19034 8033 1 17 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.151 -0.377 19034 8034 1 17 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.999 -2.172 19034 8035 1 17 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.525 -3.023 19034 8036 1 17 . 1 1 74 74 LYS H H 74 7.468 7.468 7.709 -0.241 19034 8037 1 17 . 1 1 75 75 ALA N N 75 124.287 124.287 122.818 1.469 19034 8038 1 17 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.532 -0.937 19034 8039 1 17 . 1 1 75 75 ALA CA C 75 51.696 51.696 55.187 -3.491 19034 8040 1 17 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.304 -1.213 19034 8041 1 17 . 1 1 75 75 ALA H H 75 7.549 7.549 7.720 -0.171 19034 8042 1 17 . 1 1 76 76 MET N N 76 118.919 118.919 116.936 1.983 19034 8043 1 17 . 1 1 76 76 MET HA H 76 3.490 3.490 3.922 -0.432 19034 8044 1 17 . 1 1 76 76 MET CA C 76 56.956 56.956 58.589 -1.633 19034 8045 1 17 . 1 1 76 76 MET CB C 76 28.966 28.966 31.642 -2.676 19034 8046 1 17 . 1 1 76 76 MET H H 76 8.700 8.700 8.385 0.315 19034 8047 1 17 . 1 1 77 77 GLN N N 77 118.282 118.282 118.858 -0.576 19034 8048 1 17 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.287 -0.431 19034 8049 1 17 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.699 -1.999 19034 8050 1 17 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.964 -3.183 19034 8051 1 17 . 1 1 77 77 GLN H H 77 7.798 7.798 7.614 0.184 19034 8052 1 17 . 1 1 78 78 GLY N N 78 106.137 106.137 108.926 -2.789 19034 8053 1 17 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.745 -2.997 19034 8054 1 17 . 1 1 78 78 GLY H H 78 7.797 7.797 8.174 -0.377 19034 8055 1 17 . 1 1 79 79 LEU N N 79 118.753 118.753 118.429 0.324 19034 8056 1 17 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.627 -0.437 19034 8057 1 17 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.015 0.248 19034 8058 1 17 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.211 -1.297 19034 8059 1 17 . 1 1 79 79 LEU H H 79 8.039 8.039 7.625 0.414 19034 8060 1 17 . 1 1 80 80 THR N N 80 114.360 114.360 117.008 -2.648 19034 8061 1 17 . 1 1 80 80 THR HA H 80 3.550 3.550 3.776 -0.226 19034 8062 1 17 . 1 1 80 80 THR CA C 80 63.539 63.539 65.275 -1.736 19034 8063 1 17 . 1 1 80 80 THR CB C 80 66.102 66.102 68.911 -2.809 19034 8064 1 17 . 1 1 80 80 THR H H 80 7.177 7.177 7.214 -0.037 19034 8065 1 17 . 1 1 81 81 GLY N N 81 115.554 115.554 114.165 1.389 19034 8066 1 17 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.218 -2.225 19034 8067 1 17 . 1 1 81 81 GLY H H 81 8.680 8.680 8.418 0.262 19034 8068 1 17 . 1 1 82 82 ARG N N 82 120.945 120.945 121.238 -0.293 19034 8069 1 17 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.254 -0.161 19034 8070 1 17 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.435 -2.989 19034 8071 1 17 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.268 -3.120 19034 8072 1 17 . 1 1 82 82 ARG H H 82 7.520 7.520 7.812 -0.292 19034 8073 1 17 . 1 1 83 83 LYS N N 83 121.584 121.584 120.261 1.323 19034 8074 1 17 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.805 0.203 19034 8075 1 17 . 1 1 83 83 LYS CA C 83 52.722 52.722 54.951 -2.229 19034 8076 1 17 . 1 1 83 83 LYS CB C 83 31.590 31.590 32.484 -0.894 19034 8077 1 17 . 1 1 83 83 LYS H H 83 8.165 8.165 8.583 -0.418 19034 8078 1 17 . 1 1 84 84 PHE N N 84 125.104 125.104 120.921 4.183 19034 8079 1 17 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.376 0.061 19034 8080 1 17 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.041 -2.268 19034 8081 1 17 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.527 0.560 19034 8082 1 17 . 1 1 84 84 PHE H H 84 8.656 8.656 8.945 -0.289 19034 8083 1 17 . 1 1 85 85 ALA N N 85 127.849 127.849 120.976 6.873 19034 8084 1 17 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.369 -0.601 19034 8085 1 17 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.545 -1.497 19034 8086 1 17 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.540 -5.419 19034 8087 1 17 . 1 1 85 85 ALA H H 85 8.831 8.831 7.837 0.994 19034 8088 1 17 . 1 1 86 86 ASN N N 86 113.065 113.065 116.638 -3.573 19034 8089 1 17 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.851 -0.492 19034 8090 1 17 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.731 -2.322 19034 8091 1 17 . 1 1 86 86 ASN CB C 86 35.722 35.722 41.272 -5.550 19034 8092 1 17 . 1 1 86 86 ASN H H 86 8.406 8.406 8.688 -0.282 19034 8093 1 17 . 1 1 87 87 ARG N N 87 121.167 121.167 119.589 1.578 19034 8094 1 17 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.633 -0.112 19034 8095 1 17 . 1 1 87 87 ARG CA C 87 52.786 52.786 55.160 -2.374 19034 8096 1 17 . 1 1 87 87 ARG CB C 87 29.880 29.880 31.751 -1.871 19034 8097 1 17 . 1 1 87 87 ARG H H 87 8.250 8.250 8.061 0.189 19034 8098 1 17 . 1 1 88 88 VAL N N 88 121.437 121.437 118.865 2.572 19034 8099 1 17 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.339 -0.065 19034 8100 1 17 . 1 1 88 88 VAL CA C 88 59.281 59.281 61.965 -2.684 19034 8101 1 17 . 1 1 88 88 VAL CB C 88 30.290 30.290 33.017 -2.727 19034 8102 1 17 . 1 1 88 88 VAL H H 88 8.279 8.279 8.251 0.028 19034 8103 1 17 . 1 1 89 89 VAL N N 89 127.754 127.754 127.801 -0.047 19034 8104 1 17 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.398 -0.286 19034 8105 1 17 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.368 0.763 19034 8106 1 17 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.987 -3.879 19034 8107 1 17 . 1 1 89 89 VAL H H 89 8.601 8.601 8.564 0.037 19034 8108 1 17 . 1 1 90 90 VAL N N 90 127.874 127.874 123.111 4.763 19034 8109 1 17 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.516 -0.195 19034 8110 1 17 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.810 -1.321 19034 8111 1 17 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.183 0.163 19034 8112 1 17 . 1 1 90 90 VAL H H 90 7.866 7.866 7.884 -0.018 19034 8113 1 17 . 1 1 91 91 THR N N 91 114.187 114.187 116.564 -2.377 19034 8114 1 17 . 1 1 91 91 THR HA H 91 5.528 5.528 5.269 0.259 19034 8115 1 17 . 1 1 91 91 THR CA C 91 56.193 56.193 60.440 -4.247 19034 8116 1 17 . 1 1 91 91 THR CB C 91 69.553 69.553 70.519 -0.966 19034 8117 1 17 . 1 1 91 91 THR H H 91 8.119 8.119 8.214 -0.095 19034 8118 1 17 . 1 1 92 92 LYS N N 92 116.111 116.111 122.621 -6.510 19034 8119 1 17 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.563 -0.217 19034 8120 1 17 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.952 -2.298 19034 8121 1 17 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.171 -3.284 19034 8122 1 17 . 1 1 92 92 LYS H H 92 8.199 8.199 8.086 0.113 19034 8123 1 17 . 1 1 93 93 TYR N N 93 121.017 121.017 119.176 1.841 19034 8124 1 17 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.872 0.088 19034 8125 1 17 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.350 -2.940 19034 8126 1 17 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.144 -2.603 19034 8127 1 17 . 1 1 93 93 TYR H H 93 8.450 8.450 8.481 -0.031 19034 8128 1 17 . 1 1 94 94 CYS N N 94 119.566 119.566 119.161 0.405 19034 8129 1 17 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.753 0.059 19034 8130 1 17 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.312 -3.312 19034 8131 1 17 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.835 -3.249 19034 8132 1 17 . 1 1 94 94 CYS H H 94 8.614 8.614 8.358 0.256 19034 8133 1 17 . 1 1 95 95 ASP N N 95 128.707 128.707 120.334 8.373 19034 8134 1 17 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.010 -0.173 19034 8135 1 17 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.553 -2.543 19034 8136 1 17 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.733 -3.017 19034 8137 1 17 . 1 1 95 95 ASP H H 95 8.969 8.969 8.722 0.247 19034 8138 1 17 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.309 -2.574 19034 8139 1 17 . 1 1 97 97 ASP N N 97 118.102 118.102 119.196 -1.094 19034 8140 1 17 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.622 -0.193 19034 8141 1 17 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.702 -2.661 19034 8142 1 17 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.555 -2.796 19034 8143 1 17 . 1 1 97 97 ASP H H 97 8.189 8.189 8.729 -0.540 19034 8144 1 17 . 1 1 98 98 SER N N 98 116.394 116.394 112.511 3.883 19034 8145 1 17 . 1 1 98 98 SER HA H 98 3.961 3.961 4.260 -0.299 19034 8146 1 17 . 1 1 98 98 SER CA C 98 59.519 59.519 60.040 -0.521 19034 8147 1 17 . 1 1 98 98 SER H H 98 7.792 7.792 8.283 -0.491 19034 8148 1 17 . 1 1 99 99 TYR N N 99 121.890 121.890 123.985 -2.095 19034 8149 1 17 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.134 -0.392 19034 8150 1 17 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.853 -2.056 19034 8151 1 17 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.501 -2.326 19034 8152 1 17 . 1 1 99 99 TYR H H 99 7.625 7.625 7.216 0.409 19034 8153 1 17 . 1 1 100 100 HIS N N 100 118.065 118.065 115.795 2.270 19034 8154 1 17 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.424 -0.294 19034 8155 1 17 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.383 -2.775 19034 8156 1 17 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.027 -4.233 19034 8157 1 17 . 1 1 100 100 HIS H H 100 8.425 8.425 7.939 0.486 19034 8158 1 17 . 1 1 101 101 ARG N N 101 116.756 116.756 118.271 -1.515 19034 8159 1 17 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.534 -0.433 19034 8160 1 17 . 1 1 101 101 ARG CA C 101 53.641 53.641 53.884 -0.243 19034 8161 1 17 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.203 -3.094 19034 8162 1 17 . 1 1 101 101 ARG H H 101 7.406 7.406 7.475 -0.069 19034 8163 1 17 . 1 1 102 102 ARG N N 102 115.254 115.254 120.910 -5.656 19034 8164 1 17 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.424 -1.124 19034 8165 1 17 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.259 -1.673 19034 8166 1 17 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.648 -4.564 19034 8167 1 17 . 1 1 102 102 ARG H H 102 7.297 7.297 8.374 -1.077 19034 8168 1 17 . 1 1 103 103 ASP N N 103 119.588 119.588 120.435 -0.847 19034 8169 1 17 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.370 -0.024 19034 8170 1 17 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.054 -3.473 19034 8171 1 17 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.618 -1.869 19034 8172 1 17 . 1 1 103 103 ASP H H 103 7.467 7.467 7.213 0.254 19034 8173 1 17 . 1 1 104 104 PHE N N 104 120.438 120.438 119.664 0.774 19034 8174 1 17 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.717 -0.377 19034 8175 1 17 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.298 -5.597 19034 8176 1 17 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.210 -2.368 19034 8177 1 17 . 1 1 104 104 PHE H H 104 7.138 7.138 7.076 0.062 19034 8178 1 18 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.612 -2.155 19034 8179 1 18 . 1 1 3 3 HIS N N 3 118.891 118.891 119.297 -0.406 19034 8180 1 18 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.470 0.363 19034 8181 1 18 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.627 -3.110 19034 8182 1 18 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.245 -2.833 19034 8183 1 18 . 1 1 3 3 HIS H H 3 8.079 8.079 8.621 -0.542 19034 8184 1 18 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.366 -1.350 19034 8185 1 18 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.622 -2.655 19034 8186 1 18 . 1 1 4 4 PRO CB C 4 29.938 29.938 31.636 -1.698 19034 8187 1 18 . 1 1 5 5 THR N N 5 113.236 113.236 111.511 1.725 19034 8188 1 18 . 1 1 5 5 THR HA H 5 4.430 4.430 4.540 -0.110 19034 8189 1 18 . 1 1 5 5 THR CA C 5 56.748 56.748 59.570 -2.822 19034 8190 1 18 . 1 1 5 5 THR CB C 5 69.859 69.859 71.390 -1.531 19034 8191 1 18 . 1 1 5 5 THR H H 5 6.242 6.242 7.540 -1.298 19034 8192 1 18 . 1 1 6 6 GLU N N 6 114.417 114.417 120.216 -5.799 19034 8193 1 18 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.342 -0.167 19034 8194 1 18 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.892 -2.468 19034 8195 1 18 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.511 -3.382 19034 8196 1 18 . 1 1 6 6 GLU H H 6 10.185 10.185 8.845 1.340 19034 8197 1 18 . 1 1 7 7 VAL N N 7 119.290 119.290 118.979 0.311 19034 8198 1 18 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.687 0.351 19034 8199 1 18 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.989 -1.713 19034 8200 1 18 . 1 1 7 7 VAL CB C 7 30.522 30.522 32.800 -2.278 19034 8201 1 18 . 1 1 7 7 VAL H H 7 8.270 8.270 7.335 0.935 19034 8202 1 18 . 1 1 8 8 LEU N N 8 130.138 130.138 128.662 1.476 19034 8203 1 18 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.053 -0.412 19034 8204 1 18 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.468 -3.680 19034 8205 1 18 . 1 1 8 8 LEU CB C 8 43.885 43.885 44.964 -1.079 19034 8206 1 18 . 1 1 8 8 LEU H H 8 9.316 9.316 8.098 1.218 19034 8207 1 18 . 1 1 9 9 CYS N N 9 123.769 123.769 126.080 -2.311 19034 8208 1 18 . 1 1 9 9 CYS HA H 9 5.039 5.039 4.613 0.426 19034 8209 1 18 . 1 1 9 9 CYS CA C 9 53.248 53.248 57.848 -4.600 19034 8210 1 18 . 1 1 9 9 CYS CB C 9 26.228 26.228 28.546 -2.318 19034 8211 1 18 . 1 1 9 9 CYS H H 9 8.902 8.902 8.769 0.133 19034 8212 1 18 . 1 1 10 10 LEU N N 10 127.313 127.313 128.169 -0.856 19034 8213 1 18 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.894 -0.310 19034 8214 1 18 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.346 -1.978 19034 8215 1 18 . 1 1 10 10 LEU CB C 10 40.709 40.709 44.953 -4.244 19034 8216 1 18 . 1 1 10 10 LEU H H 10 9.203 9.203 8.805 0.398 19034 8217 1 18 . 1 1 11 11 MET N N 11 124.158 124.158 123.619 0.539 19034 8218 1 18 . 1 1 11 11 MET HA H 11 4.481 4.481 4.741 -0.260 19034 8219 1 18 . 1 1 11 11 MET CA C 11 52.655 52.655 55.166 -2.511 19034 8220 1 18 . 1 1 11 11 MET CB C 11 33.156 33.156 32.602 0.554 19034 8221 1 18 . 1 1 11 11 MET H H 11 9.161 9.161 8.228 0.933 19034 8222 1 18 . 1 1 12 12 ASN N N 12 114.067 114.067 117.480 -3.413 19034 8223 1 18 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.655 -0.374 19034 8224 1 18 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.120 -2.435 19034 8225 1 18 . 1 1 12 12 ASN CB C 12 35.314 35.314 38.816 -3.502 19034 8226 1 18 . 1 1 12 12 ASN H H 12 8.842 8.842 8.522 0.320 19034 8227 1 18 . 1 1 13 13 MET N N 13 118.202 118.202 118.975 -0.773 19034 8228 1 18 . 1 1 13 13 MET HA H 13 3.952 3.952 4.173 -0.221 19034 8229 1 18 . 1 1 13 13 MET CA C 13 55.132 55.132 58.051 -2.919 19034 8230 1 18 . 1 1 13 13 MET CB C 13 31.944 31.944 33.478 -1.534 19034 8231 1 18 . 1 1 13 13 MET H H 13 8.519 8.519 8.166 0.353 19034 8232 1 18 . 1 1 14 14 VAL N N 14 110.436 110.436 111.365 -0.929 19034 8233 1 18 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.316 0.136 19034 8234 1 18 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.389 -4.568 19034 8235 1 18 . 1 1 14 14 VAL CB C 14 32.754 32.754 34.195 -1.441 19034 8236 1 18 . 1 1 14 14 VAL H H 14 6.949 6.949 7.498 -0.549 19034 8237 1 18 . 1 1 15 15 LEU N N 15 123.248 123.248 118.419 4.829 19034 8238 1 18 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.781 -0.002 19034 8239 1 18 . 1 1 15 15 LEU CA C 15 48.881 48.881 52.172 -3.291 19034 8240 1 18 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.063 -2.563 19034 8241 1 18 . 1 1 15 15 LEU H H 15 8.346 8.346 8.246 0.100 19034 8242 1 18 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.364 -0.481 19034 8243 1 18 . 1 1 16 16 PRO CA C 16 56.106 56.106 63.868 -7.762 19034 8244 1 18 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.151 -1.637 19034 8245 1 18 . 1 1 17 17 GLU N N 17 119.496 119.496 115.041 4.455 19034 8246 1 18 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.492 -0.381 19034 8247 1 18 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.482 -1.987 19034 8248 1 18 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.996 -3.108 19034 8249 1 18 . 1 1 17 17 GLU H H 17 7.754 7.754 7.628 0.126 19034 8250 1 18 . 1 1 18 18 GLU N N 18 112.697 112.697 118.718 -6.021 19034 8251 1 18 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.590 -0.612 19034 8252 1 18 . 1 1 18 18 GLU CA C 18 56.285 56.285 55.799 0.486 19034 8253 1 18 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.135 -5.059 19034 8254 1 18 . 1 1 18 18 GLU H H 18 8.975 8.975 7.783 1.192 19034 8255 1 18 . 1 1 19 19 LEU N N 19 113.096 113.096 120.852 -7.756 19034 8256 1 18 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.473 -0.054 19034 8257 1 18 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.445 -4.496 19034 8258 1 18 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.010 0.333 19034 8259 1 18 . 1 1 19 19 LEU H H 19 7.266 7.266 8.438 -1.172 19034 8260 1 18 . 1 1 20 20 LEU N N 20 119.130 119.130 116.227 2.903 19034 8261 1 18 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.415 -0.377 19034 8262 1 18 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.559 -0.557 19034 8263 1 18 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.673 -1.407 19034 8264 1 18 . 1 1 20 20 LEU H H 20 7.102 7.102 7.680 -0.578 19034 8265 1 18 . 1 1 21 21 ASP N N 21 120.713 120.713 121.372 -0.659 19034 8266 1 18 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.787 -0.180 19034 8267 1 18 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.587 -2.781 19034 8268 1 18 . 1 1 21 21 ASP CB C 21 40.567 40.567 40.856 -0.289 19034 8269 1 18 . 1 1 21 21 ASP H H 21 8.071 8.071 7.674 0.397 19034 8270 1 18 . 1 1 22 22 ASP N N 22 126.353 126.353 123.164 3.189 19034 8271 1 18 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.229 0.013 19034 8272 1 18 . 1 1 22 22 ASP CA C 22 55.650 55.650 57.414 -1.764 19034 8273 1 18 . 1 1 22 22 ASP CB C 22 38.083 38.083 40.916 -2.833 19034 8274 1 18 . 1 1 22 22 ASP H H 22 8.835 8.835 8.613 0.222 19034 8275 1 18 . 1 1 23 23 GLU N N 23 119.623 119.623 117.729 1.894 19034 8276 1 18 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.019 0.047 19034 8277 1 18 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.700 -1.860 19034 8278 1 18 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.174 -2.762 19034 8279 1 18 . 1 1 23 23 GLU H H 23 8.177 8.177 8.566 -0.389 19034 8280 1 18 . 1 1 24 24 GLU N N 24 121.959 121.959 120.038 1.921 19034 8281 1 18 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.153 -0.157 19034 8282 1 18 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.030 -1.669 19034 8283 1 18 . 1 1 24 24 GLU CB C 24 26.457 26.457 30.172 -3.715 19034 8284 1 18 . 1 1 24 24 GLU H H 24 8.218 8.218 8.268 -0.050 19034 8285 1 18 . 1 1 25 25 TYR N N 25 119.522 119.522 120.935 -1.413 19034 8286 1 18 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.137 -0.186 19034 8287 1 18 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.488 -1.841 19034 8288 1 18 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.581 -2.576 19034 8289 1 18 . 1 1 25 25 TYR H H 25 8.694 8.694 7.665 1.029 19034 8290 1 18 . 1 1 26 26 GLU N N 26 116.410 116.410 117.522 -1.112 19034 8291 1 18 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.159 -0.457 19034 8292 1 18 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.699 -3.370 19034 8293 1 18 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.210 -3.032 19034 8294 1 18 . 1 1 26 26 GLU H H 26 7.852 7.852 7.956 -0.104 19034 8295 1 18 . 1 1 27 27 GLU N N 27 118.895 118.895 120.065 -1.170 19034 8296 1 18 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.077 -0.156 19034 8297 1 18 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.128 -2.683 19034 8298 1 18 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.012 -2.772 19034 8299 1 18 . 1 1 27 27 GLU H H 27 7.555 7.555 7.825 -0.270 19034 8300 1 18 . 1 1 28 28 ILE N N 28 121.720 121.720 118.787 2.933 19034 8301 1 18 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.729 -0.087 19034 8302 1 18 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.791 -2.437 19034 8303 1 18 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.715 -2.649 19034 8304 1 18 . 1 1 28 28 ILE H H 28 7.918 7.918 7.638 0.280 19034 8305 1 18 . 1 1 29 29 VAL N N 29 119.336 119.336 119.995 -0.659 19034 8306 1 18 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.454 -0.419 19034 8307 1 18 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.596 -1.989 19034 8308 1 18 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.598 -2.534 19034 8309 1 18 . 1 1 29 29 VAL H H 29 7.832 7.832 7.039 0.793 19034 8310 1 18 . 1 1 30 30 GLU N N 30 116.291 116.291 119.438 -3.147 19034 8311 1 18 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.908 -0.031 19034 8312 1 18 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.936 -3.875 19034 8313 1 18 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.266 -3.155 19034 8314 1 18 . 1 1 30 30 GLU H H 30 7.405 7.405 7.909 -0.504 19034 8315 1 18 . 1 1 31 31 ASP N N 31 120.811 120.811 118.879 1.932 19034 8316 1 18 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.387 -0.013 19034 8317 1 18 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.320 -2.788 19034 8318 1 18 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.766 -3.481 19034 8319 1 18 . 1 1 31 31 ASP H H 31 8.471 8.471 8.691 -0.220 19034 8320 1 18 . 1 1 32 32 VAL N N 32 121.006 121.006 118.733 2.273 19034 8321 1 18 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.684 -0.273 19034 8322 1 18 . 1 1 32 32 VAL CA C 32 64.215 64.215 64.464 -0.249 19034 8323 1 18 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.969 -3.424 19034 8324 1 18 . 1 1 32 32 VAL H H 32 8.655 8.655 7.140 1.515 19034 8325 1 18 . 1 1 33 33 ARG N N 33 122.143 122.143 121.232 0.911 19034 8326 1 18 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.911 -0.418 19034 8327 1 18 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.825 -1.394 19034 8328 1 18 . 1 1 33 33 ARG CB C 33 27.232 27.232 30.155 -2.923 19034 8329 1 18 . 1 1 33 33 ARG H H 33 8.507 8.507 8.157 0.350 19034 8330 1 18 . 1 1 34 34 ASP N N 34 120.971 120.971 117.426 3.545 19034 8331 1 18 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.426 -0.170 19034 8332 1 18 . 1 1 34 34 ASP CA C 34 55.100 55.100 56.939 -1.839 19034 8333 1 18 . 1 1 34 34 ASP CB C 34 38.076 38.076 41.109 -3.033 19034 8334 1 18 . 1 1 34 34 ASP H H 34 8.633 8.633 8.220 0.413 19034 8335 1 18 . 1 1 35 35 GLU N N 35 119.918 119.918 118.381 1.537 19034 8336 1 18 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.080 -0.016 19034 8337 1 18 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.667 -2.236 19034 8338 1 18 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.219 -2.359 19034 8339 1 18 . 1 1 35 35 GLU H H 35 8.184 8.184 7.557 0.627 19034 8340 1 18 . 1 1 36 36 CYS N N 36 114.288 114.288 118.391 -4.103 19034 8341 1 18 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.471 -0.097 19034 8342 1 18 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.595 0.948 19034 8343 1 18 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.304 -2.394 19034 8344 1 18 . 1 1 36 36 CYS H H 36 8.584 8.584 8.135 0.449 19034 8345 1 18 . 1 1 37 37 SER N N 37 114.987 114.987 116.775 -1.788 19034 8346 1 18 . 1 1 37 37 SER HA H 37 5.135 5.135 4.235 0.900 19034 8347 1 18 . 1 1 37 37 SER CA C 37 58.124 58.124 61.129 -3.005 19034 8348 1 18 . 1 1 37 37 SER CB C 37 60.481 60.481 62.629 -2.148 19034 8349 1 18 . 1 1 37 37 SER H H 37 8.164 8.164 7.889 0.275 19034 8350 1 18 . 1 1 38 38 LYS N N 38 119.574 119.574 119.896 -0.322 19034 8351 1 18 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.942 -0.138 19034 8352 1 18 . 1 1 38 38 LYS CA C 38 55.490 55.490 57.989 -2.499 19034 8353 1 18 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.093 -2.722 19034 8354 1 18 . 1 1 38 38 LYS H H 38 7.111 7.111 7.894 -0.783 19034 8355 1 18 . 1 1 39 39 TYR N N 39 116.372 116.372 115.381 0.991 19034 8356 1 18 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.664 -0.360 19034 8357 1 18 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.243 -1.319 19034 8358 1 18 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.803 -2.681 19034 8359 1 18 . 1 1 39 39 TYR H H 39 7.576 7.576 7.632 -0.056 19034 8360 1 18 . 1 1 40 40 GLY N N 40 103.718 103.718 107.089 -3.371 19034 8361 1 18 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.643 -3.457 19034 8362 1 18 . 1 1 40 40 GLY H H 40 7.380 7.380 7.553 -0.173 19034 8363 1 18 . 1 1 41 41 LEU N N 41 118.877 118.877 121.891 -3.014 19034 8364 1 18 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.895 -0.563 19034 8365 1 18 . 1 1 41 41 LEU CA C 41 53.070 53.070 54.471 -1.401 19034 8366 1 18 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.883 -4.924 19034 8367 1 18 . 1 1 41 41 LEU H H 41 8.260 8.260 8.740 -0.480 19034 8368 1 18 . 1 1 42 42 VAL N N 42 127.032 127.032 126.775 0.257 19034 8369 1 18 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.956 -0.449 19034 8370 1 18 . 1 1 42 42 VAL CA C 42 59.948 59.948 63.164 -3.216 19034 8371 1 18 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.814 -1.812 19034 8372 1 18 . 1 1 42 42 VAL H H 42 8.598 8.598 8.642 -0.044 19034 8373 1 18 . 1 1 43 43 LYS N N 43 130.977 130.977 127.188 3.789 19034 8374 1 18 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.125 0.001 19034 8375 1 18 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.376 -3.354 19034 8376 1 18 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.603 -1.510 19034 8377 1 18 . 1 1 43 43 LYS H H 43 9.307 9.307 8.639 0.668 19034 8378 1 18 . 1 1 44 44 SER N N 44 110.453 110.453 108.516 1.937 19034 8379 1 18 . 1 1 44 44 SER HA H 44 4.492 4.492 4.633 -0.141 19034 8380 1 18 . 1 1 44 44 SER CA C 44 55.890 55.890 57.372 -1.482 19034 8381 1 18 . 1 1 44 44 SER CB C 44 62.940 62.940 65.614 -2.674 19034 8382 1 18 . 1 1 44 44 SER H H 44 7.938 7.938 7.445 0.493 19034 8383 1 18 . 1 1 45 45 ILE N N 45 118.542 118.542 120.113 -1.571 19034 8384 1 18 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.728 0.322 19034 8385 1 18 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.586 -3.055 19034 8386 1 18 . 1 1 45 45 ILE CB C 45 40.320 40.320 40.870 -0.550 19034 8387 1 18 . 1 1 45 45 ILE H H 45 8.136 8.136 8.354 -0.218 19034 8388 1 18 . 1 1 46 46 GLU N N 46 125.456 125.456 128.406 -2.950 19034 8389 1 18 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.620 0.080 19034 8390 1 18 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.168 -2.701 19034 8391 1 18 . 1 1 46 46 GLU CB C 46 30.763 30.763 30.959 -0.196 19034 8392 1 18 . 1 1 46 46 GLU H H 46 9.364 9.364 9.184 0.180 19034 8393 1 18 . 1 1 47 47 ILE N N 47 122.471 122.471 127.837 -5.366 19034 8394 1 18 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.622 0.083 19034 8395 1 18 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.165 -1.830 19034 8396 1 18 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.770 -1.982 19034 8397 1 18 . 1 1 47 47 ILE H H 47 8.672 8.672 8.500 0.172 19034 8398 1 18 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.411 -2.535 19034 8399 1 18 . 1 1 49 49 ARG N N 49 120.907 120.907 118.789 2.118 19034 8400 1 18 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.673 0.034 19034 8401 1 18 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.550 -1.622 19034 8402 1 18 . 1 1 49 49 ARG H H 49 7.944 7.944 8.300 -0.356 19034 8403 1 18 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.542 -0.150 19034 8404 1 18 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.465 -1.837 19034 8405 1 18 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.283 -2.657 19034 8406 1 18 . 1 1 51 51 VAL N N 51 121.425 121.425 125.890 -4.465 19034 8407 1 18 . 1 1 51 51 VAL HA H 51 3.987 3.987 3.812 0.175 19034 8408 1 18 . 1 1 51 51 VAL CA C 51 58.857 58.857 63.033 -4.176 19034 8409 1 18 . 1 1 51 51 VAL CB C 51 32.238 32.238 31.617 0.621 19034 8410 1 18 . 1 1 51 51 VAL H H 51 7.992 7.992 8.482 -0.490 19034 8411 1 18 . 1 1 52 52 ASP N N 52 127.160 127.160 128.521 -1.361 19034 8412 1 18 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.269 -0.032 19034 8413 1 18 . 1 1 52 52 ASP CA C 52 53.288 53.288 54.903 -1.615 19034 8414 1 18 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.213 -2.263 19034 8415 1 18 . 1 1 52 52 ASP H H 52 8.746 8.746 9.103 -0.357 19034 8416 1 18 . 1 1 53 53 GLY N N 53 108.483 108.483 103.652 4.831 19034 8417 1 18 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.876 -1.901 19034 8418 1 18 . 1 1 53 53 GLY H H 53 8.589 8.589 7.661 0.928 19034 8419 1 18 . 1 1 54 54 VAL N N 54 120.874 120.874 121.372 -0.498 19034 8420 1 18 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.065 0.094 19034 8421 1 18 . 1 1 54 54 VAL CA C 54 58.489 58.489 62.293 -3.804 19034 8422 1 18 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.102 -1.069 19034 8423 1 18 . 1 1 54 54 VAL H H 54 7.804 7.804 7.809 -0.005 19034 8424 1 18 . 1 1 55 55 GLU N N 55 126.140 126.140 125.435 0.705 19034 8425 1 18 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.326 -0.153 19034 8426 1 18 . 1 1 55 55 GLU CA C 55 53.696 53.696 55.693 -1.997 19034 8427 1 18 . 1 1 55 55 GLU CB C 55 26.760 26.760 29.912 -3.151 19034 8428 1 18 . 1 1 55 55 GLU H H 55 8.578 8.578 8.424 0.154 19034 8429 1 18 . 1 1 56 56 VAL N N 56 124.648 124.648 120.393 4.255 19034 8430 1 18 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.558 -0.203 19034 8431 1 18 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.715 -0.645 19034 8432 1 18 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.514 -2.708 19034 8433 1 18 . 1 1 56 56 VAL H H 56 7.661 7.661 8.287 -0.626 19034 8434 1 18 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.247 -0.130 19034 8435 1 18 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.413 -2.172 19034 8436 1 18 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.843 -2.598 19034 8437 1 18 . 1 1 58 58 GLY N N 58 109.755 109.755 111.267 -1.512 19034 8438 1 18 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.193 -2.346 19034 8439 1 18 . 1 1 58 58 GLY H H 58 8.577 8.577 8.437 0.140 19034 8440 1 18 . 1 1 59 59 CYS N N 59 118.400 118.400 119.957 -1.557 19034 8441 1 18 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.313 -0.258 19034 8442 1 18 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.231 -1.907 19034 8443 1 18 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.322 -4.144 19034 8444 1 18 . 1 1 59 59 CYS H H 59 7.631 7.631 7.490 0.141 19034 8445 1 18 . 1 1 60 60 GLY N N 60 119.002 119.002 113.793 5.209 19034 8446 1 18 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.261 -3.122 19034 8447 1 18 . 1 1 60 60 GLY H H 60 10.447 10.447 8.602 1.845 19034 8448 1 18 . 1 1 61 61 LYS N N 61 122.250 122.250 120.373 1.877 19034 8449 1 18 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.746 -0.415 19034 8450 1 18 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.131 -2.187 19034 8451 1 18 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.991 -0.818 19034 8452 1 18 . 1 1 61 61 LYS H H 61 8.233 8.233 7.240 0.993 19034 8453 1 18 . 1 1 62 62 ILE N N 62 118.312 118.312 119.459 -1.147 19034 8454 1 18 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.720 -0.424 19034 8455 1 18 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.418 -2.032 19034 8456 1 18 . 1 1 62 62 ILE CB C 62 39.003 39.003 42.090 -3.087 19034 8457 1 18 . 1 1 62 62 ILE H H 62 7.272 7.272 8.458 -1.186 19034 8458 1 18 . 1 1 63 63 PHE N N 63 125.445 125.445 124.030 1.415 19034 8459 1 18 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.360 -0.060 19034 8460 1 18 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.106 -2.612 19034 8461 1 18 . 1 1 63 63 PHE CB C 63 39.791 39.791 40.379 -0.588 19034 8462 1 18 . 1 1 63 63 PHE H H 63 8.876 8.876 8.744 0.132 19034 8463 1 18 . 1 1 64 64 VAL N N 64 122.504 122.504 122.806 -0.302 19034 8464 1 18 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.347 -0.027 19034 8465 1 18 . 1 1 64 64 VAL CA C 64 58.528 58.528 61.370 -2.842 19034 8466 1 18 . 1 1 64 64 VAL CB C 64 32.571 32.571 33.627 -1.056 19034 8467 1 18 . 1 1 64 64 VAL H H 64 9.161 9.161 8.150 1.011 19034 8468 1 18 . 1 1 65 65 GLU N N 65 127.687 127.687 124.112 3.575 19034 8469 1 18 . 1 1 65 65 GLU HA H 65 4.677 4.677 5.156 -0.479 19034 8470 1 18 . 1 1 65 65 GLU CA C 65 51.445 51.445 53.630 -2.186 19034 8471 1 18 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.736 -5.177 19034 8472 1 18 . 1 1 65 65 GLU H H 65 8.601 8.601 8.150 0.451 19034 8473 1 18 . 1 1 66 66 PHE N N 66 126.672 126.672 121.966 4.706 19034 8474 1 18 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.494 -0.401 19034 8475 1 18 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.351 -1.166 19034 8476 1 18 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.773 -3.631 19034 8477 1 18 . 1 1 66 66 PHE H H 66 9.352 9.352 8.642 0.710 19034 8478 1 18 . 1 1 67 67 THR N N 67 109.616 109.616 113.082 -3.466 19034 8479 1 18 . 1 1 67 67 THR HA H 67 4.248 4.248 4.311 -0.063 19034 8480 1 18 . 1 1 67 67 THR CA C 67 60.963 60.963 63.900 -2.937 19034 8481 1 18 . 1 1 67 67 THR CB C 67 66.974 66.974 69.484 -2.510 19034 8482 1 18 . 1 1 67 67 THR H H 67 9.072 9.072 8.532 0.540 19034 8483 1 18 . 1 1 68 68 SER N N 68 111.776 111.776 114.261 -2.485 19034 8484 1 18 . 1 1 68 68 SER HA H 68 4.922 4.922 5.029 -0.107 19034 8485 1 18 . 1 1 68 68 SER CA C 68 53.411 53.411 56.962 -3.551 19034 8486 1 18 . 1 1 68 68 SER CB C 68 63.507 63.507 66.153 -2.646 19034 8487 1 18 . 1 1 68 68 SER H H 68 7.511 7.511 7.489 0.022 19034 8488 1 18 . 1 1 69 69 VAL N N 69 123.476 123.476 121.350 2.126 19034 8489 1 18 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.841 -0.436 19034 8490 1 18 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.063 -2.475 19034 8491 1 18 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.691 -2.813 19034 8492 1 18 . 1 1 69 69 VAL H H 69 8.854 8.854 8.924 -0.070 19034 8493 1 18 . 1 1 70 70 PHE N N 70 119.530 119.530 118.755 0.775 19034 8494 1 18 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.193 0.036 19034 8495 1 18 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.969 -4.067 19034 8496 1 18 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.749 -2.486 19034 8497 1 18 . 1 1 70 70 PHE H H 70 7.673 7.673 7.978 -0.305 19034 8498 1 18 . 1 1 71 71 ASP N N 71 120.024 120.024 119.761 0.263 19034 8499 1 18 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.349 -0.173 19034 8500 1 18 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.551 -3.245 19034 8501 1 18 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.456 -2.589 19034 8502 1 18 . 1 1 71 71 ASP H H 71 7.585 7.585 8.077 -0.492 19034 8503 1 18 . 1 1 72 72 CYS N N 72 119.689 119.689 115.993 3.696 19034 8504 1 18 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.053 -0.257 19034 8505 1 18 . 1 1 72 72 CYS CA C 72 57.147 57.147 61.379 -4.232 19034 8506 1 18 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.545 -2.196 19034 8507 1 18 . 1 1 72 72 CYS H H 72 7.087 7.087 7.439 -0.352 19034 8508 1 18 . 1 1 73 73 GLN N N 73 117.350 117.350 119.804 -2.454 19034 8509 1 18 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.036 0.370 19034 8510 1 18 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.714 -2.353 19034 8511 1 18 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.504 -1.621 19034 8512 1 18 . 1 1 73 73 GLN H H 73 8.478 8.478 7.878 0.600 19034 8513 1 18 . 1 1 74 74 LYS N N 74 119.692 119.692 119.128 0.564 19034 8514 1 18 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.127 -0.353 19034 8515 1 18 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.253 -1.426 19034 8516 1 18 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.477 -2.975 19034 8517 1 18 . 1 1 74 74 LYS H H 74 7.468 7.468 7.315 0.153 19034 8518 1 18 . 1 1 75 75 ALA N N 75 124.287 124.287 122.920 1.367 19034 8519 1 18 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.616 -1.021 19034 8520 1 18 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.847 -3.151 19034 8521 1 18 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.359 -1.268 19034 8522 1 18 . 1 1 75 75 ALA H H 75 7.549 7.549 7.972 -0.423 19034 8523 1 18 . 1 1 76 76 MET N N 76 118.919 118.919 119.173 -0.254 19034 8524 1 18 . 1 1 76 76 MET HA H 76 3.490 3.490 3.877 -0.387 19034 8525 1 18 . 1 1 76 76 MET CA C 76 56.956 56.956 58.268 -1.312 19034 8526 1 18 . 1 1 76 76 MET CB C 76 28.966 28.966 32.147 -3.181 19034 8527 1 18 . 1 1 76 76 MET H H 76 8.700 8.700 8.330 0.370 19034 8528 1 18 . 1 1 77 77 GLN N N 77 118.282 118.282 114.027 4.255 19034 8529 1 18 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.062 -0.206 19034 8530 1 18 . 1 1 77 77 GLN CA C 77 55.700 55.700 56.750 -1.050 19034 8531 1 18 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.474 -2.693 19034 8532 1 18 . 1 1 77 77 GLN H H 77 7.798 7.798 8.024 -0.226 19034 8533 1 18 . 1 1 78 78 GLY N N 78 106.137 106.137 106.318 -0.181 19034 8534 1 18 . 1 1 78 78 GLY CA C 78 43.748 43.748 45.774 -2.026 19034 8535 1 18 . 1 1 78 78 GLY H H 78 7.797 7.797 7.349 0.448 19034 8536 1 18 . 1 1 79 79 LEU N N 79 118.753 118.753 117.306 1.447 19034 8537 1 18 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.651 -0.461 19034 8538 1 18 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.843 -0.580 19034 8539 1 18 . 1 1 79 79 LEU CB C 79 40.914 40.914 43.214 -2.300 19034 8540 1 18 . 1 1 79 79 LEU H H 79 8.039 8.039 7.442 0.597 19034 8541 1 18 . 1 1 80 80 THR N N 80 114.360 114.360 118.133 -3.773 19034 8542 1 18 . 1 1 80 80 THR HA H 80 3.550 3.550 3.874 -0.324 19034 8543 1 18 . 1 1 80 80 THR CA C 80 63.539 63.539 65.548 -2.009 19034 8544 1 18 . 1 1 80 80 THR CB C 80 66.102 66.102 68.428 -2.326 19034 8545 1 18 . 1 1 80 80 THR H H 80 7.177 7.177 8.169 -0.992 19034 8546 1 18 . 1 1 81 81 GLY N N 81 115.554 115.554 115.698 -0.144 19034 8547 1 18 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.338 -2.345 19034 8548 1 18 . 1 1 81 81 GLY H H 81 8.680 8.680 8.374 0.306 19034 8549 1 18 . 1 1 82 82 ARG N N 82 120.945 120.945 121.019 -0.074 19034 8550 1 18 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.345 -0.252 19034 8551 1 18 . 1 1 82 82 ARG CA C 82 53.446 53.446 55.448 -2.002 19034 8552 1 18 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.624 -3.476 19034 8553 1 18 . 1 1 82 82 ARG H H 82 7.520 7.520 7.699 -0.179 19034 8554 1 18 . 1 1 83 83 LYS N N 83 121.584 121.584 119.584 2.000 19034 8555 1 18 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.008 -0.000 19034 8556 1 18 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.437 -2.715 19034 8557 1 18 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.036 -1.446 19034 8558 1 18 . 1 1 83 83 LYS H H 83 8.165 8.165 8.555 -0.390 19034 8559 1 18 . 1 1 84 84 PHE N N 84 125.104 125.104 125.164 -0.060 19034 8560 1 18 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.640 -0.203 19034 8561 1 18 . 1 1 84 84 PHE CA C 84 54.773 54.773 55.253 -0.480 19034 8562 1 18 . 1 1 84 84 PHE CB C 84 39.087 39.087 36.410 2.677 19034 8563 1 18 . 1 1 84 84 PHE H H 84 8.656 8.656 9.209 -0.553 19034 8564 1 18 . 1 1 85 85 ALA N N 85 127.849 127.849 122.115 5.734 19034 8565 1 18 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.298 -0.530 19034 8566 1 18 . 1 1 85 85 ALA CA C 85 51.048 51.048 53.104 -2.056 19034 8567 1 18 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.367 -5.247 19034 8568 1 18 . 1 1 85 85 ALA H H 85 8.831 8.831 7.448 1.383 19034 8569 1 18 . 1 1 86 86 ASN N N 86 113.065 113.065 116.272 -3.207 19034 8570 1 18 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.773 -0.414 19034 8571 1 18 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.591 -2.182 19034 8572 1 18 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.209 -3.487 19034 8573 1 18 . 1 1 86 86 ASN H H 86 8.406 8.406 8.561 -0.155 19034 8574 1 18 . 1 1 87 87 ARG N N 87 121.167 121.167 119.493 1.674 19034 8575 1 18 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.580 -0.059 19034 8576 1 18 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.308 -1.522 19034 8577 1 18 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.779 -2.900 19034 8578 1 18 . 1 1 87 87 ARG H H 87 8.250 8.250 7.879 0.371 19034 8579 1 18 . 1 1 88 88 VAL N N 88 121.437 121.437 118.993 2.444 19034 8580 1 18 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.410 -0.136 19034 8581 1 18 . 1 1 88 88 VAL CA C 88 59.281 59.281 61.641 -2.360 19034 8582 1 18 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.374 -2.084 19034 8583 1 18 . 1 1 88 88 VAL H H 88 8.279 8.279 8.245 0.034 19034 8584 1 18 . 1 1 89 89 VAL N N 89 127.754 127.754 121.377 6.377 19034 8585 1 18 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.226 -0.114 19034 8586 1 18 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.665 0.466 19034 8587 1 18 . 1 1 89 89 VAL CB C 89 30.108 30.108 34.702 -4.594 19034 8588 1 18 . 1 1 89 89 VAL H H 89 8.601 8.601 7.941 0.660 19034 8589 1 18 . 1 1 90 90 VAL N N 90 127.874 127.874 120.302 7.572 19034 8590 1 18 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.459 -0.138 19034 8591 1 18 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.081 -1.592 19034 8592 1 18 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.149 -0.803 19034 8593 1 18 . 1 1 90 90 VAL H H 90 7.866 7.866 8.157 -0.291 19034 8594 1 18 . 1 1 91 91 THR N N 91 114.187 114.187 115.353 -1.166 19034 8595 1 18 . 1 1 91 91 THR HA H 91 5.528 5.528 5.205 0.324 19034 8596 1 18 . 1 1 91 91 THR CA C 91 56.193 56.193 60.106 -3.913 19034 8597 1 18 . 1 1 91 91 THR CB C 91 69.553 69.553 70.924 -1.371 19034 8598 1 18 . 1 1 91 91 THR H H 91 8.119 8.119 8.134 -0.015 19034 8599 1 18 . 1 1 92 92 LYS N N 92 116.111 116.111 121.112 -5.001 19034 8600 1 18 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.489 -0.143 19034 8601 1 18 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.085 -2.431 19034 8602 1 18 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.863 -2.976 19034 8603 1 18 . 1 1 92 92 LYS H H 92 8.199 8.199 8.467 -0.268 19034 8604 1 18 . 1 1 93 93 TYR N N 93 121.017 121.017 121.029 -0.012 19034 8605 1 18 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.430 0.530 19034 8606 1 18 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.264 -2.854 19034 8607 1 18 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.940 -2.400 19034 8608 1 18 . 1 1 93 93 TYR H H 93 8.450 8.450 8.438 0.012 19034 8609 1 18 . 1 1 94 94 CYS N N 94 119.566 119.566 119.604 -0.038 19034 8610 1 18 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.843 -0.031 19034 8611 1 18 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.866 -2.865 19034 8612 1 18 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.996 -4.410 19034 8613 1 18 . 1 1 94 94 CYS H H 94 8.614 8.614 8.438 0.176 19034 8614 1 18 . 1 1 95 95 ASP N N 95 128.707 128.707 120.268 8.439 19034 8615 1 18 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.062 -0.225 19034 8616 1 18 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.110 -2.100 19034 8617 1 18 . 1 1 95 95 ASP CB C 95 39.716 39.716 44.175 -4.459 19034 8618 1 18 . 1 1 95 95 ASP H H 95 8.969 8.969 8.909 0.060 19034 8619 1 18 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.216 -2.481 19034 8620 1 18 . 1 1 97 97 ASP N N 97 118.102 118.102 118.799 -0.697 19034 8621 1 18 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.511 -0.082 19034 8622 1 18 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.571 -2.530 19034 8623 1 18 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.513 -2.754 19034 8624 1 18 . 1 1 97 97 ASP H H 97 8.189 8.189 8.855 -0.666 19034 8625 1 18 . 1 1 98 98 SER N N 98 116.394 116.394 111.534 4.860 19034 8626 1 18 . 1 1 98 98 SER HA H 98 3.961 3.961 4.289 -0.328 19034 8627 1 18 . 1 1 98 98 SER CA C 98 59.519 59.519 59.487 0.032 19034 8628 1 18 . 1 1 98 98 SER H H 98 7.792 7.792 8.240 -0.448 19034 8629 1 18 . 1 1 99 99 TYR N N 99 121.890 121.890 121.403 0.487 19034 8630 1 18 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.596 -0.854 19034 8631 1 18 . 1 1 99 99 TYR CA C 99 58.797 58.797 59.435 -0.638 19034 8632 1 18 . 1 1 99 99 TYR CB C 99 36.175 36.175 40.295 -4.120 19034 8633 1 18 . 1 1 99 99 TYR H H 99 7.625 7.625 7.674 -0.049 19034 8634 1 18 . 1 1 100 100 HIS N N 100 118.065 118.065 117.628 0.437 19034 8635 1 18 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.334 -0.204 19034 8636 1 18 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.666 -3.058 19034 8637 1 18 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.206 -4.412 19034 8638 1 18 . 1 1 100 100 HIS H H 100 8.425 8.425 8.210 0.214 19034 8639 1 18 . 1 1 101 101 ARG N N 101 116.756 116.756 117.639 -0.883 19034 8640 1 18 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.543 -0.442 19034 8641 1 18 . 1 1 101 101 ARG CA C 101 53.641 53.641 53.840 -0.199 19034 8642 1 18 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.047 -3.938 19034 8643 1 18 . 1 1 101 101 ARG H H 101 7.406 7.406 7.643 -0.237 19034 8644 1 18 . 1 1 102 102 ARG N N 102 115.254 115.254 121.321 -6.067 19034 8645 1 18 . 1 1 102 102 ARG HA H 102 2.300 2.300 2.701 -0.401 19034 8646 1 18 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.549 -1.963 19034 8647 1 18 . 1 1 102 102 ARG CB C 102 25.084 25.084 28.748 -3.664 19034 8648 1 18 . 1 1 102 102 ARG H H 102 7.297 7.297 8.698 -1.401 19034 8649 1 18 . 1 1 103 103 ASP N N 103 119.588 119.588 121.347 -1.759 19034 8650 1 18 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.459 -0.113 19034 8651 1 18 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.474 -3.893 19034 8652 1 18 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.995 -2.246 19034 8653 1 18 . 1 1 103 103 ASP H H 103 7.467 7.467 7.418 0.049 19034 8654 1 18 . 1 1 104 104 PHE N N 104 120.438 120.438 121.044 -0.606 19034 8655 1 18 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.720 -0.380 19034 8656 1 18 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.245 -4.544 19034 8657 1 18 . 1 1 104 104 PHE CB C 104 36.842 36.842 40.248 -3.406 19034 8658 1 18 . 1 1 104 104 PHE H H 104 7.138 7.138 7.526 -0.388 19034 8659 1 19 . 1 1 2 2 GLY CA C 2 42.457 42.457 45.842 -3.385 19034 8660 1 19 . 1 1 3 3 HIS N N 3 118.891 118.891 119.646 -0.755 19034 8661 1 19 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.951 -0.118 19034 8662 1 19 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.702 -3.184 19034 8663 1 19 . 1 1 3 3 HIS CB C 3 26.412 26.412 30.522 -4.110 19034 8664 1 19 . 1 1 3 3 HIS H H 3 8.079 8.079 8.283 -0.204 19034 8665 1 19 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.308 -1.292 19034 8666 1 19 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.509 -2.542 19034 8667 1 19 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.037 -2.099 19034 8668 1 19 . 1 1 5 5 THR N N 5 113.236 113.236 111.222 2.014 19034 8669 1 19 . 1 1 5 5 THR HA H 5 4.430 4.430 4.552 -0.122 19034 8670 1 19 . 1 1 5 5 THR CA C 5 56.748 56.748 59.615 -2.868 19034 8671 1 19 . 1 1 5 5 THR CB C 5 69.859 69.859 71.633 -1.774 19034 8672 1 19 . 1 1 5 5 THR H H 5 6.242 6.242 7.809 -1.567 19034 8673 1 19 . 1 1 6 6 GLU N N 6 114.417 114.417 120.529 -6.112 19034 8674 1 19 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.186 -0.011 19034 8675 1 19 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.337 -1.913 19034 8676 1 19 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.318 -3.189 19034 8677 1 19 . 1 1 6 6 GLU H H 6 10.185 10.185 8.681 1.504 19034 8678 1 19 . 1 1 7 7 VAL N N 7 119.290 119.290 116.247 3.043 19034 8679 1 19 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.884 0.154 19034 8680 1 19 . 1 1 7 7 VAL CA C 7 58.276 58.276 59.909 -1.633 19034 8681 1 19 . 1 1 7 7 VAL CB C 7 30.522 30.522 34.215 -3.693 19034 8682 1 19 . 1 1 7 7 VAL H H 7 8.270 8.270 7.484 0.786 19034 8683 1 19 . 1 1 8 8 LEU N N 8 130.138 130.138 124.516 5.622 19034 8684 1 19 . 1 1 8 8 LEU HA H 8 4.641 4.641 4.987 -0.346 19034 8685 1 19 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.456 -3.668 19034 8686 1 19 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.577 -2.692 19034 8687 1 19 . 1 1 8 8 LEU H H 8 9.316 9.316 8.978 0.338 19034 8688 1 19 . 1 1 9 9 CYS N N 9 123.769 123.769 121.799 1.970 19034 8689 1 19 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.183 -0.144 19034 8690 1 19 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.634 -3.386 19034 8691 1 19 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.919 -3.691 19034 8692 1 19 . 1 1 9 9 CYS H H 9 8.902 8.902 9.062 -0.160 19034 8693 1 19 . 1 1 10 10 LEU N N 10 127.313 127.313 129.116 -1.803 19034 8694 1 19 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.561 0.023 19034 8695 1 19 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.445 -2.077 19034 8696 1 19 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.153 -2.444 19034 8697 1 19 . 1 1 10 10 LEU H H 10 9.203 9.203 9.076 0.127 19034 8698 1 19 . 1 1 11 11 MET N N 11 124.158 124.158 123.623 0.535 19034 8699 1 19 . 1 1 11 11 MET HA H 11 4.481 4.481 4.626 -0.145 19034 8700 1 19 . 1 1 11 11 MET CA C 11 52.655 52.655 55.332 -2.677 19034 8701 1 19 . 1 1 11 11 MET CB C 11 33.156 33.156 35.053 -1.897 19034 8702 1 19 . 1 1 11 11 MET H H 11 9.161 9.161 8.500 0.661 19034 8703 1 19 . 1 1 12 12 ASN N N 12 114.067 114.067 113.918 0.149 19034 8704 1 19 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.341 -0.060 19034 8705 1 19 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.409 -2.724 19034 8706 1 19 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.863 -1.549 19034 8707 1 19 . 1 1 12 12 ASN H H 12 8.842 8.842 9.041 -0.199 19034 8708 1 19 . 1 1 13 13 MET N N 13 118.202 118.202 117.665 0.537 19034 8709 1 19 . 1 1 13 13 MET HA H 13 3.952 3.952 4.333 -0.381 19034 8710 1 19 . 1 1 13 13 MET CA C 13 55.132 55.132 58.572 -3.439 19034 8711 1 19 . 1 1 13 13 MET CB C 13 31.944 31.944 34.006 -2.062 19034 8712 1 19 . 1 1 13 13 MET H H 13 8.519 8.519 8.222 0.297 19034 8713 1 19 . 1 1 14 14 VAL N N 14 110.436 110.436 112.650 -2.214 19034 8714 1 19 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.465 -0.013 19034 8715 1 19 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.145 -4.324 19034 8716 1 19 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.905 -1.151 19034 8717 1 19 . 1 1 14 14 VAL H H 14 6.949 6.949 7.446 -0.497 19034 8718 1 19 . 1 1 15 15 LEU N N 15 123.248 123.248 122.455 0.793 19034 8719 1 19 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.744 0.035 19034 8720 1 19 . 1 1 15 15 LEU CA C 15 48.881 48.881 52.463 -3.582 19034 8721 1 19 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.024 -2.524 19034 8722 1 19 . 1 1 15 15 LEU H H 15 8.346 8.346 8.440 -0.094 19034 8723 1 19 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.386 -0.503 19034 8724 1 19 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.005 -7.899 19034 8725 1 19 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.785 -2.272 19034 8726 1 19 . 1 1 17 17 GLU N N 17 119.496 119.496 115.569 3.927 19034 8727 1 19 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.511 -0.400 19034 8728 1 19 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.121 -1.626 19034 8729 1 19 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.605 -2.717 19034 8730 1 19 . 1 1 17 17 GLU H H 17 7.754 7.754 8.281 -0.527 19034 8731 1 19 . 1 1 18 18 GLU N N 18 112.697 112.697 118.923 -6.226 19034 8732 1 19 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.563 -0.585 19034 8733 1 19 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.205 0.080 19034 8734 1 19 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.038 -4.962 19034 8735 1 19 . 1 1 18 18 GLU H H 18 8.975 8.975 7.992 0.983 19034 8736 1 19 . 1 1 19 19 LEU N N 19 113.096 113.096 119.289 -6.193 19034 8737 1 19 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.630 -0.211 19034 8738 1 19 . 1 1 19 19 LEU CA C 19 50.949 50.949 54.783 -3.834 19034 8739 1 19 . 1 1 19 19 LEU CB C 19 40.343 40.343 42.543 -2.200 19034 8740 1 19 . 1 1 19 19 LEU H H 19 7.266 7.266 7.950 -0.684 19034 8741 1 19 . 1 1 20 20 LEU N N 20 119.130 119.130 117.530 1.600 19034 8742 1 19 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.170 -0.132 19034 8743 1 19 . 1 1 20 20 LEU CA C 20 54.002 54.002 55.663 -1.661 19034 8744 1 19 . 1 1 20 20 LEU CB C 20 40.266 40.266 41.623 -1.357 19034 8745 1 19 . 1 1 20 20 LEU H H 20 7.102 7.102 7.701 -0.599 19034 8746 1 19 . 1 1 21 21 ASP N N 21 120.713 120.713 119.711 1.002 19034 8747 1 19 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.634 -0.027 19034 8748 1 19 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.250 -3.444 19034 8749 1 19 . 1 1 21 21 ASP CB C 21 40.567 40.567 39.744 0.823 19034 8750 1 19 . 1 1 21 21 ASP H H 21 8.071 8.071 8.030 0.041 19034 8751 1 19 . 1 1 22 22 ASP N N 22 126.353 126.353 122.488 3.865 19034 8752 1 19 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.369 -0.127 19034 8753 1 19 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.565 -0.915 19034 8754 1 19 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.200 -3.117 19034 8755 1 19 . 1 1 22 22 ASP H H 22 8.835 8.835 8.169 0.666 19034 8756 1 19 . 1 1 23 23 GLU N N 23 119.623 119.623 115.294 4.329 19034 8757 1 19 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.430 -0.364 19034 8758 1 19 . 1 1 23 23 GLU CA C 23 56.840 56.840 57.379 -0.539 19034 8759 1 19 . 1 1 23 23 GLU CB C 23 26.412 26.412 30.013 -3.601 19034 8760 1 19 . 1 1 23 23 GLU H H 23 8.177 8.177 8.124 0.053 19034 8761 1 19 . 1 1 24 24 GLU N N 24 121.959 121.959 121.411 0.548 19034 8762 1 19 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.311 -0.315 19034 8763 1 19 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.038 -2.677 19034 8764 1 19 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.828 -3.371 19034 8765 1 19 . 1 1 24 24 GLU H H 24 8.218 8.218 7.758 0.460 19034 8766 1 19 . 1 1 25 25 TYR N N 25 119.522 119.522 121.043 -1.521 19034 8767 1 19 . 1 1 25 25 TYR HA H 25 3.951 3.951 3.948 0.003 19034 8768 1 19 . 1 1 25 25 TYR CA C 25 59.647 59.647 62.398 -2.752 19034 8769 1 19 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.576 -2.571 19034 8770 1 19 . 1 1 25 25 TYR H H 25 8.694 8.694 8.433 0.261 19034 8771 1 19 . 1 1 26 26 GLU N N 26 116.410 116.410 116.828 -0.418 19034 8772 1 19 . 1 1 26 26 GLU HA H 26 3.702 3.702 3.979 -0.277 19034 8773 1 19 . 1 1 26 26 GLU CA C 26 56.329 56.329 58.909 -2.580 19034 8774 1 19 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.251 -3.073 19034 8775 1 19 . 1 1 26 26 GLU H H 26 7.852 7.852 8.827 -0.975 19034 8776 1 19 . 1 1 27 27 GLU N N 27 118.895 118.895 120.665 -1.770 19034 8777 1 19 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.039 -0.118 19034 8778 1 19 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.139 -2.694 19034 8779 1 19 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.664 -3.424 19034 8780 1 19 . 1 1 27 27 GLU H H 27 7.555 7.555 7.622 -0.067 19034 8781 1 19 . 1 1 28 28 ILE N N 28 121.720 121.720 119.056 2.664 19034 8782 1 19 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.649 -0.007 19034 8783 1 19 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.894 -2.539 19034 8784 1 19 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.534 -2.468 19034 8785 1 19 . 1 1 28 28 ILE H H 28 7.918 7.918 8.133 -0.215 19034 8786 1 19 . 1 1 29 29 VAL N N 29 119.336 119.336 119.713 -0.377 19034 8787 1 19 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.564 -0.529 19034 8788 1 19 . 1 1 29 29 VAL CA C 29 64.607 64.607 67.015 -2.408 19034 8789 1 19 . 1 1 29 29 VAL CB C 29 29.064 29.064 30.753 -1.689 19034 8790 1 19 . 1 1 29 29 VAL H H 29 7.832 7.832 7.314 0.518 19034 8791 1 19 . 1 1 30 30 GLU N N 30 116.291 116.291 119.621 -3.330 19034 8792 1 19 . 1 1 30 30 GLU HA H 30 3.877 3.877 3.957 -0.080 19034 8793 1 19 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.860 -3.799 19034 8794 1 19 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.067 -2.956 19034 8795 1 19 . 1 1 30 30 GLU H H 30 7.405 7.405 7.575 -0.170 19034 8796 1 19 . 1 1 31 31 ASP N N 31 120.811 120.811 120.083 0.728 19034 8797 1 19 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.319 0.055 19034 8798 1 19 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.329 -2.797 19034 8799 1 19 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.556 -3.271 19034 8800 1 19 . 1 1 31 31 ASP H H 31 8.471 8.471 8.394 0.077 19034 8801 1 19 . 1 1 32 32 VAL N N 32 121.006 121.006 118.999 2.007 19034 8802 1 19 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.379 0.032 19034 8803 1 19 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.654 -1.439 19034 8804 1 19 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.413 -2.868 19034 8805 1 19 . 1 1 32 32 VAL H H 32 8.655 8.655 7.225 1.430 19034 8806 1 19 . 1 1 33 33 ARG N N 33 122.143 122.143 121.126 1.017 19034 8807 1 19 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.911 -0.418 19034 8808 1 19 . 1 1 33 33 ARG CA C 33 58.431 58.431 60.170 -1.739 19034 8809 1 19 . 1 1 33 33 ARG CB C 33 27.232 27.232 30.009 -2.777 19034 8810 1 19 . 1 1 33 33 ARG H H 33 8.507 8.507 8.375 0.132 19034 8811 1 19 . 1 1 34 34 ASP N N 34 120.971 120.971 118.972 1.999 19034 8812 1 19 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.287 -0.031 19034 8813 1 19 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.828 -2.728 19034 8814 1 19 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.772 -2.696 19034 8815 1 19 . 1 1 34 34 ASP H H 34 8.633 8.633 8.328 0.305 19034 8816 1 19 . 1 1 35 35 GLU N N 35 119.918 119.918 119.380 0.538 19034 8817 1 19 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.110 -0.046 19034 8818 1 19 . 1 1 35 35 GLU CA C 35 56.431 56.431 59.010 -2.579 19034 8819 1 19 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.503 -2.643 19034 8820 1 19 . 1 1 35 35 GLU H H 35 8.184 8.184 8.207 -0.023 19034 8821 1 19 . 1 1 36 36 CYS N N 36 114.288 114.288 118.206 -3.918 19034 8822 1 19 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.562 -0.188 19034 8823 1 19 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.059 1.484 19034 8824 1 19 . 1 1 36 36 CYS CB C 36 24.910 24.910 26.663 -1.753 19034 8825 1 19 . 1 1 36 36 CYS H H 36 8.584 8.584 8.117 0.467 19034 8826 1 19 . 1 1 37 37 SER N N 37 114.987 114.987 115.959 -0.972 19034 8827 1 19 . 1 1 37 37 SER HA H 37 5.135 5.135 4.392 0.743 19034 8828 1 19 . 1 1 37 37 SER CA C 37 58.124 58.124 61.064 -2.940 19034 8829 1 19 . 1 1 37 37 SER CB C 37 60.481 60.481 62.955 -2.474 19034 8830 1 19 . 1 1 37 37 SER H H 37 8.164 8.164 7.779 0.385 19034 8831 1 19 . 1 1 38 38 LYS N N 38 119.574 119.574 121.568 -1.994 19034 8832 1 19 . 1 1 38 38 LYS HA H 38 3.804 3.804 4.053 -0.249 19034 8833 1 19 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.745 -3.255 19034 8834 1 19 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.481 -3.110 19034 8835 1 19 . 1 1 38 38 LYS H H 38 7.111 7.111 7.605 -0.494 19034 8836 1 19 . 1 1 39 39 TYR N N 39 116.372 116.372 116.215 0.157 19034 8837 1 19 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.686 -0.382 19034 8838 1 19 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.348 -1.424 19034 8839 1 19 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.250 -2.128 19034 8840 1 19 . 1 1 39 39 TYR H H 39 7.576 7.576 7.924 -0.348 19034 8841 1 19 . 1 1 40 40 GLY N N 40 103.718 103.718 105.771 -2.053 19034 8842 1 19 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.044 -2.858 19034 8843 1 19 . 1 1 40 40 GLY H H 40 7.380 7.380 7.501 -0.121 19034 8844 1 19 . 1 1 41 41 LEU N N 41 118.877 118.877 121.686 -2.809 19034 8845 1 19 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.542 -0.210 19034 8846 1 19 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.580 -0.510 19034 8847 1 19 . 1 1 41 41 LEU CB C 41 39.959 39.959 43.067 -3.108 19034 8848 1 19 . 1 1 41 41 LEU H H 41 8.260 8.260 8.133 0.127 19034 8849 1 19 . 1 1 42 42 VAL N N 42 127.032 127.032 127.794 -0.762 19034 8850 1 19 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.830 -0.323 19034 8851 1 19 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.513 -2.565 19034 8852 1 19 . 1 1 42 42 VAL CB C 42 30.002 30.002 30.119 -0.117 19034 8853 1 19 . 1 1 42 42 VAL H H 42 8.598 8.598 8.158 0.440 19034 8854 1 19 . 1 1 43 43 LYS N N 43 130.977 130.977 128.760 2.217 19034 8855 1 19 . 1 1 43 43 LYS HA H 43 4.126 4.126 3.980 0.146 19034 8856 1 19 . 1 1 43 43 LYS CA C 43 55.022 55.022 59.341 -4.319 19034 8857 1 19 . 1 1 43 43 LYS CB C 43 32.093 32.093 32.854 -0.761 19034 8858 1 19 . 1 1 43 43 LYS H H 43 9.307 9.307 8.430 0.877 19034 8859 1 19 . 1 1 44 44 SER N N 44 110.453 110.453 108.600 1.853 19034 8860 1 19 . 1 1 44 44 SER HA H 44 4.492 4.492 4.720 -0.228 19034 8861 1 19 . 1 1 44 44 SER CA C 44 55.890 55.890 57.608 -1.718 19034 8862 1 19 . 1 1 44 44 SER CB C 44 62.940 62.940 65.625 -2.685 19034 8863 1 19 . 1 1 44 44 SER H H 44 7.938 7.938 7.831 0.107 19034 8864 1 19 . 1 1 45 45 ILE N N 45 118.542 118.542 120.853 -2.311 19034 8865 1 19 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.819 0.231 19034 8866 1 19 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.848 -3.317 19034 8867 1 19 . 1 1 45 45 ILE CB C 45 40.320 40.320 42.116 -1.796 19034 8868 1 19 . 1 1 45 45 ILE H H 45 8.136 8.136 8.399 -0.263 19034 8869 1 19 . 1 1 46 46 GLU N N 46 125.456 125.456 126.617 -1.161 19034 8870 1 19 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.752 -0.052 19034 8871 1 19 . 1 1 46 46 GLU CA C 46 52.467 52.467 54.775 -2.308 19034 8872 1 19 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.759 -0.996 19034 8873 1 19 . 1 1 46 46 GLU H H 46 9.364 9.364 9.107 0.257 19034 8874 1 19 . 1 1 47 47 ILE N N 47 122.471 122.471 127.214 -4.743 19034 8875 1 19 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.575 0.130 19034 8876 1 19 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.232 -1.897 19034 8877 1 19 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.657 -1.869 19034 8878 1 19 . 1 1 47 47 ILE H H 47 8.672 8.672 8.506 0.166 19034 8879 1 19 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.287 -2.411 19034 8880 1 19 . 1 1 49 49 ARG N N 49 120.907 120.907 121.233 -0.326 19034 8881 1 19 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.697 0.010 19034 8882 1 19 . 1 1 49 49 ARG CB C 49 29.928 29.928 31.099 -1.171 19034 8883 1 19 . 1 1 49 49 ARG H H 49 7.944 7.944 8.238 -0.294 19034 8884 1 19 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.357 0.035 19034 8885 1 19 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.583 -1.955 19034 8886 1 19 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.069 -2.443 19034 8887 1 19 . 1 1 51 51 VAL N N 51 121.425 121.425 121.294 0.131 19034 8888 1 19 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.018 -0.031 19034 8889 1 19 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.804 -2.947 19034 8890 1 19 . 1 1 51 51 VAL CB C 51 32.238 32.238 32.069 0.168 19034 8891 1 19 . 1 1 51 51 VAL H H 51 7.992 7.992 8.428 -0.436 19034 8892 1 19 . 1 1 52 52 ASP N N 52 127.160 127.160 125.473 1.687 19034 8893 1 19 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.428 -0.191 19034 8894 1 19 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.133 -1.845 19034 8895 1 19 . 1 1 52 52 ASP CB C 52 37.950 37.950 38.898 -0.948 19034 8896 1 19 . 1 1 52 52 ASP H H 52 8.746 8.746 8.628 0.118 19034 8897 1 19 . 1 1 53 53 GLY N N 53 108.483 108.483 110.992 -2.509 19034 8898 1 19 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.946 -1.972 19034 8899 1 19 . 1 1 53 53 GLY H H 53 8.589 8.589 8.440 0.149 19034 8900 1 19 . 1 1 54 54 VAL N N 54 120.874 120.874 120.525 0.349 19034 8901 1 19 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.402 -0.243 19034 8902 1 19 . 1 1 54 54 VAL CA C 54 58.489 58.489 60.206 -1.717 19034 8903 1 19 . 1 1 54 54 VAL CB C 54 32.033 32.033 34.054 -2.021 19034 8904 1 19 . 1 1 54 54 VAL H H 54 7.804 7.804 7.116 0.688 19034 8905 1 19 . 1 1 55 55 GLU N N 55 126.140 126.140 124.968 1.172 19034 8906 1 19 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.239 -0.066 19034 8907 1 19 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.330 -2.634 19034 8908 1 19 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.251 -3.491 19034 8909 1 19 . 1 1 55 55 GLU H H 55 8.578 8.578 8.511 0.067 19034 8910 1 19 . 1 1 56 56 VAL N N 56 124.648 124.648 114.481 10.167 19034 8911 1 19 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.541 -0.186 19034 8912 1 19 . 1 1 56 56 VAL CA C 56 57.070 57.070 57.758 -0.688 19034 8913 1 19 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.485 -2.679 19034 8914 1 19 . 1 1 56 56 VAL H H 56 7.661 7.661 8.308 -0.647 19034 8915 1 19 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.487 -0.370 19034 8916 1 19 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.638 -2.397 19034 8917 1 19 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.983 -2.738 19034 8918 1 19 . 1 1 58 58 GLY N N 58 109.755 109.755 111.423 -1.668 19034 8919 1 19 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.169 -2.322 19034 8920 1 19 . 1 1 58 58 GLY H H 58 8.577 8.577 8.642 -0.065 19034 8921 1 19 . 1 1 59 59 CYS N N 59 118.400 118.400 118.723 -0.323 19034 8922 1 19 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.172 -0.117 19034 8923 1 19 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.810 -1.486 19034 8924 1 19 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.555 -4.377 19034 8925 1 19 . 1 1 59 59 CYS H H 59 7.631 7.631 7.548 0.083 19034 8926 1 19 . 1 1 60 60 GLY N N 60 119.002 119.002 114.643 4.359 19034 8927 1 19 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.571 -3.432 19034 8928 1 19 . 1 1 60 60 GLY H H 60 10.447 10.447 9.087 1.360 19034 8929 1 19 . 1 1 61 61 LYS N N 61 122.250 122.250 121.248 1.002 19034 8930 1 19 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.267 0.064 19034 8931 1 19 . 1 1 61 61 LYS CA C 61 52.944 52.944 56.232 -3.288 19034 8932 1 19 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.075 0.098 19034 8933 1 19 . 1 1 61 61 LYS H H 61 8.233 8.233 7.130 1.103 19034 8934 1 19 . 1 1 62 62 ILE N N 62 118.312 118.312 118.662 -0.350 19034 8935 1 19 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.517 -0.221 19034 8936 1 19 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.242 -1.856 19034 8937 1 19 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.872 -2.869 19034 8938 1 19 . 1 1 62 62 ILE H H 62 7.272 7.272 7.751 -0.479 19034 8939 1 19 . 1 1 63 63 PHE N N 63 125.445 125.445 122.661 2.784 19034 8940 1 19 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.710 -0.410 19034 8941 1 19 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.077 -2.583 19034 8942 1 19 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.840 -2.049 19034 8943 1 19 . 1 1 63 63 PHE H H 63 8.876 8.876 8.351 0.525 19034 8944 1 19 . 1 1 64 64 VAL N N 64 122.504 122.504 118.916 3.588 19034 8945 1 19 . 1 1 64 64 VAL HA H 64 4.320 4.320 5.048 -0.728 19034 8946 1 19 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.063 -1.535 19034 8947 1 19 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.609 -4.038 19034 8948 1 19 . 1 1 64 64 VAL H H 64 9.161 9.161 9.310 -0.149 19034 8949 1 19 . 1 1 65 65 GLU N N 65 127.687 127.687 124.763 2.924 19034 8950 1 19 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.821 -0.144 19034 8951 1 19 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.451 -3.006 19034 8952 1 19 . 1 1 65 65 GLU CB C 65 28.559 28.559 33.185 -4.626 19034 8953 1 19 . 1 1 65 65 GLU H H 65 8.601 8.601 8.939 -0.338 19034 8954 1 19 . 1 1 66 66 PHE N N 66 126.672 126.672 123.213 3.459 19034 8955 1 19 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.568 -0.475 19034 8956 1 19 . 1 1 66 66 PHE CA C 66 55.185 55.185 55.919 -0.734 19034 8957 1 19 . 1 1 66 66 PHE CB C 66 39.141 39.141 41.716 -2.575 19034 8958 1 19 . 1 1 66 66 PHE H H 66 9.352 9.352 9.070 0.282 19034 8959 1 19 . 1 1 67 67 THR N N 67 109.616 109.616 113.549 -3.933 19034 8960 1 19 . 1 1 67 67 THR HA H 67 4.248 4.248 4.605 -0.357 19034 8961 1 19 . 1 1 67 67 THR CA C 67 60.963 60.963 61.272 -0.309 19034 8962 1 19 . 1 1 67 67 THR CB C 67 66.974 66.974 69.420 -2.446 19034 8963 1 19 . 1 1 67 67 THR H H 67 9.072 9.072 8.247 0.825 19034 8964 1 19 . 1 1 68 68 SER N N 68 111.776 111.776 114.801 -3.025 19034 8965 1 19 . 1 1 68 68 SER HA H 68 4.922 4.922 4.897 0.025 19034 8966 1 19 . 1 1 68 68 SER CA C 68 53.411 53.411 57.165 -3.754 19034 8967 1 19 . 1 1 68 68 SER CB C 68 63.507 63.507 65.771 -2.264 19034 8968 1 19 . 1 1 68 68 SER H H 68 7.511 7.511 7.864 -0.353 19034 8969 1 19 . 1 1 69 69 VAL N N 69 123.476 123.476 123.563 -0.087 19034 8970 1 19 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.907 -0.502 19034 8971 1 19 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.880 -3.292 19034 8972 1 19 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.891 -3.013 19034 8973 1 19 . 1 1 69 69 VAL H H 69 8.854 8.854 8.899 -0.045 19034 8974 1 19 . 1 1 70 70 PHE N N 70 119.530 119.530 117.247 2.283 19034 8975 1 19 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.261 -0.032 19034 8976 1 19 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.279 -3.377 19034 8977 1 19 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.567 -2.304 19034 8978 1 19 . 1 1 70 70 PHE H H 70 7.673 7.673 8.485 -0.812 19034 8979 1 19 . 1 1 71 71 ASP N N 71 120.024 120.024 119.930 0.094 19034 8980 1 19 . 1 1 71 71 ASP HA H 71 4.176 4.176 5.038 -0.862 19034 8981 1 19 . 1 1 71 71 ASP CA C 71 54.306 54.306 55.989 -1.683 19034 8982 1 19 . 1 1 71 71 ASP CB C 71 37.867 37.867 42.173 -4.306 19034 8983 1 19 . 1 1 71 71 ASP H H 71 7.585 7.585 8.285 -0.700 19034 8984 1 19 . 1 1 72 72 CYS N N 72 119.689 119.689 122.034 -2.345 19034 8985 1 19 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.047 -0.251 19034 8986 1 19 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.956 -5.809 19034 8987 1 19 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.737 -2.388 19034 8988 1 19 . 1 1 72 72 CYS H H 72 7.087 7.087 8.214 -1.127 19034 8989 1 19 . 1 1 73 73 GLN N N 73 117.350 117.350 116.689 0.661 19034 8990 1 19 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.147 0.259 19034 8991 1 19 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.532 -2.171 19034 8992 1 19 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.597 -1.714 19034 8993 1 19 . 1 1 73 73 GLN H H 73 8.478 8.478 8.208 0.270 19034 8994 1 19 . 1 1 74 74 LYS N N 74 119.692 119.692 119.116 0.576 19034 8995 1 19 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.269 -0.495 19034 8996 1 19 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.700 -1.873 19034 8997 1 19 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.850 -3.348 19034 8998 1 19 . 1 1 74 74 LYS H H 74 7.468 7.468 7.544 -0.076 19034 8999 1 19 . 1 1 75 75 ALA N N 75 124.287 124.287 122.475 1.812 19034 9000 1 19 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.975 -1.380 19034 9001 1 19 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.939 -3.243 19034 9002 1 19 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.340 -1.249 19034 9003 1 19 . 1 1 75 75 ALA H H 75 7.549 7.549 7.846 -0.297 19034 9004 1 19 . 1 1 76 76 MET N N 76 118.919 118.919 117.408 1.511 19034 9005 1 19 . 1 1 76 76 MET HA H 76 3.490 3.490 3.919 -0.429 19034 9006 1 19 . 1 1 76 76 MET CA C 76 56.956 56.956 58.309 -1.353 19034 9007 1 19 . 1 1 76 76 MET CB C 76 28.966 28.966 31.786 -2.820 19034 9008 1 19 . 1 1 76 76 MET H H 76 8.700 8.700 8.341 0.359 19034 9009 1 19 . 1 1 77 77 GLN N N 77 118.282 118.282 118.212 0.070 19034 9010 1 19 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.401 -0.545 19034 9011 1 19 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.294 -1.594 19034 9012 1 19 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.760 -2.979 19034 9013 1 19 . 1 1 77 77 GLN H H 77 7.798 7.798 7.604 0.194 19034 9014 1 19 . 1 1 78 78 GLY N N 78 106.137 106.137 108.565 -2.428 19034 9015 1 19 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.919 -3.171 19034 9016 1 19 . 1 1 78 78 GLY H H 78 7.797 7.797 8.229 -0.432 19034 9017 1 19 . 1 1 79 79 LEU N N 79 118.753 118.753 117.987 0.766 19034 9018 1 19 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.502 -0.312 19034 9019 1 19 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.412 -0.149 19034 9020 1 19 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.624 -1.710 19034 9021 1 19 . 1 1 79 79 LEU H H 79 8.039 8.039 7.317 0.722 19034 9022 1 19 . 1 1 80 80 THR N N 80 114.360 114.360 115.863 -1.503 19034 9023 1 19 . 1 1 80 80 THR HA H 80 3.550 3.550 3.990 -0.440 19034 9024 1 19 . 1 1 80 80 THR CA C 80 63.539 63.539 64.795 -1.256 19034 9025 1 19 . 1 1 80 80 THR CB C 80 66.102 66.102 69.337 -3.235 19034 9026 1 19 . 1 1 80 80 THR H H 80 7.177 7.177 7.502 -0.325 19034 9027 1 19 . 1 1 81 81 GLY N N 81 115.554 115.554 117.088 -1.534 19034 9028 1 19 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.270 -2.277 19034 9029 1 19 . 1 1 81 81 GLY H H 81 8.680 8.680 8.738 -0.058 19034 9030 1 19 . 1 1 82 82 ARG N N 82 120.945 120.945 121.533 -0.588 19034 9031 1 19 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.360 -0.267 19034 9032 1 19 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.890 -3.444 19034 9033 1 19 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.811 -3.663 19034 9034 1 19 . 1 1 82 82 ARG H H 82 7.520 7.520 7.434 0.086 19034 9035 1 19 . 1 1 83 83 LYS N N 83 121.584 121.584 117.412 4.172 19034 9036 1 19 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.139 -0.131 19034 9037 1 19 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.619 -2.897 19034 9038 1 19 . 1 1 83 83 LYS CB C 83 31.590 31.590 34.679 -3.089 19034 9039 1 19 . 1 1 83 83 LYS H H 83 8.165 8.165 8.585 -0.419 19034 9040 1 19 . 1 1 84 84 PHE N N 84 125.104 125.104 123.398 1.706 19034 9041 1 19 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.674 -0.237 19034 9042 1 19 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.365 -1.593 19034 9043 1 19 . 1 1 84 84 PHE CB C 84 39.087 39.087 39.264 -0.177 19034 9044 1 19 . 1 1 84 84 PHE H H 84 8.656 8.656 8.841 -0.185 19034 9045 1 19 . 1 1 85 85 ALA N N 85 127.849 127.849 119.774 8.075 19034 9046 1 19 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.277 -0.509 19034 9047 1 19 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.633 -1.585 19034 9048 1 19 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.853 -5.732 19034 9049 1 19 . 1 1 85 85 ALA H H 85 8.831 8.831 7.793 1.038 19034 9050 1 19 . 1 1 86 86 ASN N N 86 113.065 113.065 116.813 -3.748 19034 9051 1 19 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.728 -0.369 19034 9052 1 19 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.484 -2.075 19034 9053 1 19 . 1 1 86 86 ASN CB C 86 35.722 35.722 39.872 -4.150 19034 9054 1 19 . 1 1 86 86 ASN H H 86 8.406 8.406 8.577 -0.171 19034 9055 1 19 . 1 1 87 87 ARG N N 87 121.167 121.167 119.933 1.234 19034 9056 1 19 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.573 -0.052 19034 9057 1 19 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.105 -1.319 19034 9058 1 19 . 1 1 87 87 ARG CB C 87 29.880 29.880 33.305 -3.425 19034 9059 1 19 . 1 1 87 87 ARG H H 87 8.250 8.250 7.904 0.346 19034 9060 1 19 . 1 1 88 88 VAL N N 88 121.437 121.437 122.155 -0.718 19034 9061 1 19 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.221 0.053 19034 9062 1 19 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.456 -3.175 19034 9063 1 19 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.304 -1.014 19034 9064 1 19 . 1 1 88 88 VAL H H 88 8.279 8.279 8.298 -0.019 19034 9065 1 19 . 1 1 89 89 VAL N N 89 127.754 127.754 128.352 -0.598 19034 9066 1 19 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.192 -0.080 19034 9067 1 19 . 1 1 89 89 VAL CA C 89 61.131 61.131 61.987 -0.856 19034 9068 1 19 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.348 -2.240 19034 9069 1 19 . 1 1 89 89 VAL H H 89 8.601 8.601 8.681 -0.080 19034 9070 1 19 . 1 1 90 90 VAL N N 90 127.874 127.874 125.945 1.929 19034 9071 1 19 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.438 -0.117 19034 9072 1 19 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.967 -1.478 19034 9073 1 19 . 1 1 90 90 VAL CB C 90 32.346 32.346 34.054 -1.708 19034 9074 1 19 . 1 1 90 90 VAL H H 90 7.866 7.866 8.045 -0.179 19034 9075 1 19 . 1 1 91 91 THR N N 91 114.187 114.187 118.586 -4.399 19034 9076 1 19 . 1 1 91 91 THR HA H 91 5.528 5.528 5.033 0.495 19034 9077 1 19 . 1 1 91 91 THR CA C 91 56.193 56.193 59.945 -3.752 19034 9078 1 19 . 1 1 91 91 THR CB C 91 69.553 69.553 70.112 -0.559 19034 9079 1 19 . 1 1 91 91 THR H H 91 8.119 8.119 8.091 0.028 19034 9080 1 19 . 1 1 92 92 LYS N N 92 116.111 116.111 122.073 -5.962 19034 9081 1 19 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.526 -0.180 19034 9082 1 19 . 1 1 92 92 LYS CA C 92 52.654 52.654 55.011 -2.357 19034 9083 1 19 . 1 1 92 92 LYS CB C 92 33.887 33.887 37.031 -3.144 19034 9084 1 19 . 1 1 92 92 LYS H H 92 8.199 8.199 8.203 -0.004 19034 9085 1 19 . 1 1 93 93 TYR N N 93 121.017 121.017 119.633 1.384 19034 9086 1 19 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.492 0.468 19034 9087 1 19 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.027 -2.617 19034 9088 1 19 . 1 1 93 93 TYR CB C 93 36.540 36.540 39.303 -2.763 19034 9089 1 19 . 1 1 93 93 TYR H H 93 8.450 8.450 8.327 0.123 19034 9090 1 19 . 1 1 94 94 CYS N N 94 119.566 119.566 118.715 0.851 19034 9091 1 19 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.927 -0.115 19034 9092 1 19 . 1 1 94 94 CYS CA C 94 54.001 54.001 56.779 -2.778 19034 9093 1 19 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.455 -3.869 19034 9094 1 19 . 1 1 94 94 CYS H H 94 8.614 8.614 8.588 0.026 19034 9095 1 19 . 1 1 95 95 ASP N N 95 128.707 128.707 120.091 8.616 19034 9096 1 19 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.025 -0.188 19034 9097 1 19 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.237 -2.227 19034 9098 1 19 . 1 1 95 95 ASP CB C 95 39.716 39.716 43.167 -3.451 19034 9099 1 19 . 1 1 95 95 ASP H H 95 8.969 8.969 8.819 0.150 19034 9100 1 19 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.450 -2.715 19034 9101 1 19 . 1 1 97 97 ASP N N 97 118.102 118.102 119.965 -1.863 19034 9102 1 19 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.544 -0.115 19034 9103 1 19 . 1 1 97 97 ASP CA C 97 55.041 55.041 58.663 -3.622 19034 9104 1 19 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.603 -2.844 19034 9105 1 19 . 1 1 97 97 ASP H H 97 8.189 8.189 8.650 -0.461 19034 9106 1 19 . 1 1 98 98 SER N N 98 116.394 116.394 111.361 5.033 19034 9107 1 19 . 1 1 98 98 SER HA H 98 3.961 3.961 4.246 -0.285 19034 9108 1 19 . 1 1 98 98 SER CA C 98 59.519 59.519 59.558 -0.039 19034 9109 1 19 . 1 1 98 98 SER H H 98 7.792 7.792 8.543 -0.750 19034 9110 1 19 . 1 1 99 99 TYR N N 99 121.890 121.890 122.281 -0.391 19034 9111 1 19 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.343 -0.601 19034 9112 1 19 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.757 -1.960 19034 9113 1 19 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.677 -3.502 19034 9114 1 19 . 1 1 99 99 TYR H H 99 7.625 7.625 7.529 0.096 19034 9115 1 19 . 1 1 100 100 HIS N N 100 118.065 118.065 116.929 1.136 19034 9116 1 19 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.551 -0.421 19034 9117 1 19 . 1 1 100 100 HIS CA C 100 55.608 55.608 59.255 -3.647 19034 9118 1 19 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.234 -4.440 19034 9119 1 19 . 1 1 100 100 HIS H H 100 8.425 8.425 7.809 0.616 19034 9120 1 19 . 1 1 101 101 ARG N N 101 116.756 116.756 119.326 -2.570 19034 9121 1 19 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.485 -0.384 19034 9122 1 19 . 1 1 101 101 ARG CA C 101 53.641 53.641 55.303 -1.662 19034 9123 1 19 . 1 1 101 101 ARG CB C 101 28.109 28.109 30.984 -2.875 19034 9124 1 19 . 1 1 101 101 ARG H H 101 7.406 7.406 7.625 -0.219 19034 9125 1 19 . 1 1 102 102 ARG N N 102 115.254 115.254 118.958 -3.704 19034 9126 1 19 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.170 -0.870 19034 9127 1 19 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.998 -1.412 19034 9128 1 19 . 1 1 102 102 ARG CB C 102 25.084 25.084 30.165 -5.081 19034 9129 1 19 . 1 1 102 102 ARG H H 102 7.297 7.297 8.163 -0.866 19034 9130 1 19 . 1 1 103 103 ASP N N 103 119.588 119.588 120.240 -0.652 19034 9131 1 19 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.379 -0.033 19034 9132 1 19 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.249 -3.668 19034 9133 1 19 . 1 1 103 103 ASP CB C 103 37.749 37.749 39.328 -1.579 19034 9134 1 19 . 1 1 103 103 ASP H H 103 7.467 7.467 7.964 -0.497 19034 9135 1 19 . 1 1 104 104 PHE N N 104 120.438 120.438 118.854 1.584 19034 9136 1 19 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.510 -0.170 19034 9137 1 19 . 1 1 104 104 PHE CA C 104 52.701 52.701 58.700 -5.999 19034 9138 1 19 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.758 -2.916 19034 9139 1 19 . 1 1 104 104 PHE H H 104 7.138 7.138 6.805 0.333 19034 9140 1 20 . 1 1 2 2 GLY CA C 2 42.457 42.457 44.535 -2.078 19034 9141 1 20 . 1 1 3 3 HIS N N 3 118.891 118.891 118.560 0.331 19034 9142 1 20 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.555 0.278 19034 9143 1 20 . 1 1 3 3 HIS CA C 3 50.518 50.518 54.044 -3.526 19034 9144 1 20 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.580 -3.168 19034 9145 1 20 . 1 1 3 3 HIS H H 3 8.079 8.079 8.354 -0.275 19034 9146 1 20 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.248 -1.232 19034 9147 1 20 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.244 -2.277 19034 9148 1 20 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.373 -2.435 19034 9149 1 20 . 1 1 5 5 THR N N 5 113.236 113.236 112.646 0.590 19034 9150 1 20 . 1 1 5 5 THR HA H 5 4.430 4.430 4.567 -0.137 19034 9151 1 20 . 1 1 5 5 THR CA C 5 56.748 56.748 59.510 -2.762 19034 9152 1 20 . 1 1 5 5 THR CB C 5 69.859 69.859 71.511 -1.652 19034 9153 1 20 . 1 1 5 5 THR H H 5 6.242 6.242 7.168 -0.926 19034 9154 1 20 . 1 1 6 6 GLU N N 6 114.417 114.417 121.045 -6.628 19034 9155 1 20 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.302 -0.127 19034 9156 1 20 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.580 -2.156 19034 9157 1 20 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.895 -3.766 19034 9158 1 20 . 1 1 6 6 GLU H H 6 10.185 10.185 8.829 1.356 19034 9159 1 20 . 1 1 7 7 VAL N N 7 119.290 119.290 118.892 0.398 19034 9160 1 20 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.610 0.428 19034 9161 1 20 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.938 -2.662 19034 9162 1 20 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.849 -3.327 19034 9163 1 20 . 1 1 7 7 VAL H H 7 8.270 8.270 7.478 0.792 19034 9164 1 20 . 1 1 8 8 LEU N N 8 130.138 130.138 129.182 0.956 19034 9165 1 20 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.338 -0.697 19034 9166 1 20 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.803 -4.015 19034 9167 1 20 . 1 1 8 8 LEU CB C 8 43.885 43.885 46.960 -3.075 19034 9168 1 20 . 1 1 8 8 LEU H H 8 9.316 9.316 8.238 1.078 19034 9169 1 20 . 1 1 9 9 CYS N N 9 123.769 123.769 122.517 1.252 19034 9170 1 20 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.168 -0.129 19034 9171 1 20 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.507 -3.259 19034 9172 1 20 . 1 1 9 9 CYS CB C 9 26.228 26.228 30.180 -3.952 19034 9173 1 20 . 1 1 9 9 CYS H H 9 8.902 8.902 8.990 -0.088 19034 9174 1 20 . 1 1 10 10 LEU N N 10 127.313 127.313 129.190 -1.877 19034 9175 1 20 . 1 1 10 10 LEU HA H 10 4.584 4.584 4.848 -0.264 19034 9176 1 20 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.250 -1.882 19034 9177 1 20 . 1 1 10 10 LEU CB C 10 40.709 40.709 41.984 -1.275 19034 9178 1 20 . 1 1 10 10 LEU H H 10 9.203 9.203 8.920 0.283 19034 9179 1 20 . 1 1 11 11 MET N N 11 124.158 124.158 123.919 0.239 19034 9180 1 20 . 1 1 11 11 MET HA H 11 4.481 4.481 4.310 0.171 19034 9181 1 20 . 1 1 11 11 MET CA C 11 52.655 52.655 57.026 -4.371 19034 9182 1 20 . 1 1 11 11 MET CB C 11 33.156 33.156 33.512 -0.356 19034 9183 1 20 . 1 1 11 11 MET H H 11 9.161 9.161 8.131 1.030 19034 9184 1 20 . 1 1 12 12 ASN N N 12 114.067 114.067 112.020 2.047 19034 9185 1 20 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.329 -0.048 19034 9186 1 20 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.872 -3.187 19034 9187 1 20 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.496 -1.183 19034 9188 1 20 . 1 1 12 12 ASN H H 12 8.842 8.842 8.920 -0.078 19034 9189 1 20 . 1 1 13 13 MET N N 13 118.202 118.202 117.091 1.111 19034 9190 1 20 . 1 1 13 13 MET HA H 13 3.952 3.952 4.333 -0.381 19034 9191 1 20 . 1 1 13 13 MET CA C 13 55.132 55.132 58.438 -3.306 19034 9192 1 20 . 1 1 13 13 MET CB C 13 31.944 31.944 33.998 -2.054 19034 9193 1 20 . 1 1 13 13 MET H H 13 8.519 8.519 7.714 0.805 19034 9194 1 20 . 1 1 14 14 VAL N N 14 110.436 110.436 112.589 -2.153 19034 9195 1 20 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.344 0.108 19034 9196 1 20 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.346 -4.525 19034 9197 1 20 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.555 -0.801 19034 9198 1 20 . 1 1 14 14 VAL H H 14 6.949 6.949 7.876 -0.927 19034 9199 1 20 . 1 1 15 15 LEU N N 15 123.248 123.248 117.716 5.532 19034 9200 1 20 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.808 -0.029 19034 9201 1 20 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.516 -2.635 19034 9202 1 20 . 1 1 15 15 LEU CB C 15 39.500 39.500 43.283 -3.783 19034 9203 1 20 . 1 1 15 15 LEU H H 15 8.346 8.346 8.000 0.346 19034 9204 1 20 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.395 -0.512 19034 9205 1 20 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.295 -8.189 19034 9206 1 20 . 1 1 16 16 PRO CB C 16 29.513 29.513 32.141 -2.628 19034 9207 1 20 . 1 1 17 17 GLU N N 17 119.496 119.496 115.905 3.591 19034 9208 1 20 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.491 -0.380 19034 9209 1 20 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.311 -1.816 19034 9210 1 20 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.483 -2.595 19034 9211 1 20 . 1 1 17 17 GLU H H 17 7.754 7.754 8.581 -0.827 19034 9212 1 20 . 1 1 18 18 GLU N N 18 112.697 112.697 118.344 -5.647 19034 9213 1 20 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.548 -0.570 19034 9214 1 20 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.600 -0.315 19034 9215 1 20 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.949 -5.873 19034 9216 1 20 . 1 1 18 18 GLU H H 18 8.975 8.975 7.867 1.108 19034 9217 1 20 . 1 1 19 19 LEU N N 19 113.096 113.096 123.765 -10.669 19034 9218 1 20 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.321 0.098 19034 9219 1 20 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.398 -4.449 19034 9220 1 20 . 1 1 19 19 LEU CB C 19 40.343 40.343 40.305 0.038 19034 9221 1 20 . 1 1 19 19 LEU H H 19 7.266 7.266 7.638 -0.372 19034 9222 1 20 . 1 1 20 20 LEU N N 20 119.130 119.130 119.035 0.095 19034 9223 1 20 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.556 -0.518 19034 9224 1 20 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.553 -0.551 19034 9225 1 20 . 1 1 20 20 LEU CB C 20 40.266 40.266 43.568 -3.302 19034 9226 1 20 . 1 1 20 20 LEU H H 20 7.102 7.102 7.992 -0.890 19034 9227 1 20 . 1 1 21 21 ASP N N 21 120.713 120.713 119.925 0.788 19034 9228 1 20 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.911 -0.304 19034 9229 1 20 . 1 1 21 21 ASP CA C 21 50.806 50.806 53.439 -2.633 19034 9230 1 20 . 1 1 21 21 ASP CB C 21 40.567 40.567 44.259 -3.692 19034 9231 1 20 . 1 1 21 21 ASP H H 21 8.071 8.071 7.938 0.133 19034 9232 1 20 . 1 1 22 22 ASP N N 22 126.353 126.353 119.975 6.378 19034 9233 1 20 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.473 -0.231 19034 9234 1 20 . 1 1 22 22 ASP CA C 22 55.650 55.650 55.305 0.345 19034 9235 1 20 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.536 -3.453 19034 9236 1 20 . 1 1 22 22 ASP H H 22 8.835 8.835 8.512 0.323 19034 9237 1 20 . 1 1 23 23 GLU N N 23 119.623 119.623 119.091 0.532 19034 9238 1 20 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.211 -0.145 19034 9239 1 20 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.229 -1.389 19034 9240 1 20 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.412 -3.000 19034 9241 1 20 . 1 1 23 23 GLU H H 23 8.177 8.177 8.230 -0.053 19034 9242 1 20 . 1 1 24 24 GLU N N 24 121.959 121.959 120.622 1.337 19034 9243 1 20 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.087 -0.091 19034 9244 1 20 . 1 1 24 24 GLU CA C 24 56.361 56.361 59.448 -3.087 19034 9245 1 20 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.267 -2.810 19034 9246 1 20 . 1 1 24 24 GLU H H 24 8.218 8.218 8.743 -0.525 19034 9247 1 20 . 1 1 25 25 TYR N N 25 119.522 119.522 118.726 0.796 19034 9248 1 20 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.188 -0.237 19034 9249 1 20 . 1 1 25 25 TYR CA C 25 59.647 59.647 60.818 -1.171 19034 9250 1 20 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.497 -2.492 19034 9251 1 20 . 1 1 25 25 TYR H H 25 8.694 8.694 8.110 0.584 19034 9252 1 20 . 1 1 26 26 GLU N N 26 116.410 116.410 118.577 -2.167 19034 9253 1 20 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.086 -0.384 19034 9254 1 20 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.151 -2.822 19034 9255 1 20 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.822 -3.644 19034 9256 1 20 . 1 1 26 26 GLU H H 26 7.852 7.852 8.091 -0.239 19034 9257 1 20 . 1 1 27 27 GLU N N 27 118.895 118.895 119.476 -0.581 19034 9258 1 20 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.045 -0.124 19034 9259 1 20 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.249 -2.804 19034 9260 1 20 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.589 -3.349 19034 9261 1 20 . 1 1 27 27 GLU H H 27 7.555 7.555 7.705 -0.150 19034 9262 1 20 . 1 1 28 28 ILE N N 28 121.720 121.720 118.248 3.472 19034 9263 1 20 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.803 -0.161 19034 9264 1 20 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.192 -1.837 19034 9265 1 20 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.832 -2.766 19034 9266 1 20 . 1 1 28 28 ILE H H 28 7.918 7.918 7.536 0.382 19034 9267 1 20 . 1 1 29 29 VAL N N 29 119.336 119.336 120.960 -1.624 19034 9268 1 20 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.534 -0.499 19034 9269 1 20 . 1 1 29 29 VAL CA C 29 64.607 64.607 67.026 -2.419 19034 9270 1 20 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.545 -2.481 19034 9271 1 20 . 1 1 29 29 VAL H H 29 7.832 7.832 7.440 0.392 19034 9272 1 20 . 1 1 30 30 GLU N N 30 116.291 116.291 118.346 -2.055 19034 9273 1 20 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.074 -0.197 19034 9274 1 20 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.000 -2.939 19034 9275 1 20 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.185 -3.074 19034 9276 1 20 . 1 1 30 30 GLU H H 30 7.405 7.405 7.579 -0.174 19034 9277 1 20 . 1 1 31 31 ASP N N 31 120.811 120.811 120.947 -0.136 19034 9278 1 20 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.438 -0.064 19034 9279 1 20 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.034 -2.502 19034 9280 1 20 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.957 -3.672 19034 9281 1 20 . 1 1 31 31 ASP H H 31 8.471 8.471 7.732 0.739 19034 9282 1 20 . 1 1 32 32 VAL N N 32 121.006 121.006 119.889 1.117 19034 9283 1 20 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.405 0.006 19034 9284 1 20 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.248 -1.033 19034 9285 1 20 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.502 -2.957 19034 9286 1 20 . 1 1 32 32 VAL H H 32 8.655 8.655 7.234 1.421 19034 9287 1 20 . 1 1 33 33 ARG N N 33 122.143 122.143 120.180 1.963 19034 9288 1 20 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.912 -0.419 19034 9289 1 20 . 1 1 33 33 ARG CA C 33 58.431 58.431 60.011 -1.580 19034 9290 1 20 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.913 -2.681 19034 9291 1 20 . 1 1 33 33 ARG H H 33 8.507 8.507 8.190 0.317 19034 9292 1 20 . 1 1 34 34 ASP N N 34 120.971 120.971 118.452 2.519 19034 9293 1 20 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.361 -0.105 19034 9294 1 20 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.319 -2.219 19034 9295 1 20 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.696 -2.620 19034 9296 1 20 . 1 1 34 34 ASP H H 34 8.633 8.633 7.689 0.944 19034 9297 1 20 . 1 1 35 35 GLU N N 35 119.918 119.918 118.842 1.076 19034 9298 1 20 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.072 -0.008 19034 9299 1 20 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.906 -2.475 19034 9300 1 20 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.297 -2.437 19034 9301 1 20 . 1 1 35 35 GLU H H 35 8.184 8.184 7.740 0.444 19034 9302 1 20 . 1 1 36 36 CYS N N 36 114.288 114.288 118.814 -4.526 19034 9303 1 20 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.483 -0.109 19034 9304 1 20 . 1 1 36 36 CYS CA C 36 62.543 62.543 62.434 0.109 19034 9305 1 20 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.469 -2.559 19034 9306 1 20 . 1 1 36 36 CYS H H 36 8.584 8.584 8.595 -0.011 19034 9307 1 20 . 1 1 37 37 SER N N 37 114.987 114.987 115.012 -0.025 19034 9308 1 20 . 1 1 37 37 SER HA H 37 5.135 5.135 4.517 0.618 19034 9309 1 20 . 1 1 37 37 SER CA C 37 58.124 58.124 60.358 -2.234 19034 9310 1 20 . 1 1 37 37 SER CB C 37 60.481 60.481 62.496 -2.015 19034 9311 1 20 . 1 1 37 37 SER H H 37 8.164 8.164 7.927 0.237 19034 9312 1 20 . 1 1 38 38 LYS N N 38 119.574 119.574 120.684 -1.110 19034 9313 1 20 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.977 -0.173 19034 9314 1 20 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.647 -3.157 19034 9315 1 20 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.184 -2.813 19034 9316 1 20 . 1 1 38 38 LYS H H 38 7.111 7.111 7.573 -0.462 19034 9317 1 20 . 1 1 39 39 TYR N N 39 116.372 116.372 116.124 0.248 19034 9318 1 20 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.631 -0.327 19034 9319 1 20 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.769 -1.845 19034 9320 1 20 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.706 -2.584 19034 9321 1 20 . 1 1 39 39 TYR H H 39 7.576 7.576 7.856 -0.280 19034 9322 1 20 . 1 1 40 40 GLY N N 40 103.718 103.718 105.793 -2.075 19034 9323 1 20 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.636 -3.450 19034 9324 1 20 . 1 1 40 40 GLY H H 40 7.380 7.380 7.812 -0.432 19034 9325 1 20 . 1 1 41 41 LEU N N 41 118.877 118.877 122.559 -3.682 19034 9326 1 20 . 1 1 41 41 LEU HA H 41 4.332 4.332 5.060 -0.728 19034 9327 1 20 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.390 -0.320 19034 9328 1 20 . 1 1 41 41 LEU CB C 41 39.959 39.959 45.328 -5.369 19034 9329 1 20 . 1 1 41 41 LEU H H 41 8.260 8.260 8.946 -0.686 19034 9330 1 20 . 1 1 42 42 VAL N N 42 127.032 127.032 126.338 0.694 19034 9331 1 20 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.929 -0.422 19034 9332 1 20 . 1 1 42 42 VAL CA C 42 59.948 59.948 61.709 -1.760 19034 9333 1 20 . 1 1 42 42 VAL CB C 42 30.002 30.002 32.057 -2.055 19034 9334 1 20 . 1 1 42 42 VAL H H 42 8.598 8.598 8.561 0.037 19034 9335 1 20 . 1 1 43 43 LYS N N 43 130.977 130.977 128.640 2.337 19034 9336 1 20 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.176 -0.050 19034 9337 1 20 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.756 -3.734 19034 9338 1 20 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.508 -1.415 19034 9339 1 20 . 1 1 43 43 LYS H H 43 9.307 9.307 8.784 0.523 19034 9340 1 20 . 1 1 44 44 SER N N 44 110.453 110.453 109.509 0.944 19034 9341 1 20 . 1 1 44 44 SER HA H 44 4.492 4.492 4.718 -0.226 19034 9342 1 20 . 1 1 44 44 SER CA C 44 55.890 55.890 57.492 -1.602 19034 9343 1 20 . 1 1 44 44 SER CB C 44 62.940 62.940 66.044 -3.104 19034 9344 1 20 . 1 1 44 44 SER H H 44 7.938 7.938 7.614 0.324 19034 9345 1 20 . 1 1 45 45 ILE N N 45 118.542 118.542 121.323 -2.781 19034 9346 1 20 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.749 0.301 19034 9347 1 20 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.747 -3.216 19034 9348 1 20 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.633 -1.313 19034 9349 1 20 . 1 1 45 45 ILE H H 45 8.136 8.136 8.461 -0.325 19034 9350 1 20 . 1 1 46 46 GLU N N 46 125.456 125.456 127.027 -1.571 19034 9351 1 20 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.760 -0.060 19034 9352 1 20 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.311 -2.844 19034 9353 1 20 . 1 1 46 46 GLU CB C 46 30.763 30.763 32.207 -1.444 19034 9354 1 20 . 1 1 46 46 GLU H H 46 9.364 9.364 9.374 -0.010 19034 9355 1 20 . 1 1 47 47 ILE N N 47 122.471 122.471 126.828 -4.357 19034 9356 1 20 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.656 0.049 19034 9357 1 20 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.385 -2.050 19034 9358 1 20 . 1 1 47 47 ILE CB C 47 36.788 36.788 39.071 -2.283 19034 9359 1 20 . 1 1 47 47 ILE H H 47 8.672 8.672 8.392 0.280 19034 9360 1 20 . 1 1 48 48 PRO CB C 48 29.876 29.876 31.249 -1.373 19034 9361 1 20 . 1 1 49 49 ARG N N 49 120.907 120.907 125.453 -4.546 19034 9362 1 20 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.479 0.228 19034 9363 1 20 . 1 1 49 49 ARG CB C 49 29.928 29.928 28.759 1.169 19034 9364 1 20 . 1 1 49 49 ARG H H 49 7.944 7.944 8.029 -0.085 19034 9365 1 20 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.524 -0.132 19034 9366 1 20 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.716 -2.088 19034 9367 1 20 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.436 -2.810 19034 9368 1 20 . 1 1 51 51 VAL N N 51 121.425 121.425 121.131 0.294 19034 9369 1 20 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.219 -0.232 19034 9370 1 20 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.319 -2.462 19034 9371 1 20 . 1 1 51 51 VAL CB C 51 32.238 32.238 32.230 0.008 19034 9372 1 20 . 1 1 51 51 VAL H H 51 7.992 7.992 8.543 -0.551 19034 9373 1 20 . 1 1 52 52 ASP N N 52 127.160 127.160 129.975 -2.815 19034 9374 1 20 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.265 -0.028 19034 9375 1 20 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.203 -1.915 19034 9376 1 20 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.270 -2.320 19034 9377 1 20 . 1 1 52 52 ASP H H 52 8.746 8.746 9.276 -0.530 19034 9378 1 20 . 1 1 53 53 GLY N N 53 108.483 108.483 103.579 4.904 19034 9379 1 20 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.971 -1.997 19034 9380 1 20 . 1 1 53 53 GLY H H 53 8.589 8.589 8.478 0.111 19034 9381 1 20 . 1 1 54 54 VAL N N 54 120.874 120.874 122.470 -1.596 19034 9382 1 20 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.128 0.031 19034 9383 1 20 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.584 -3.095 19034 9384 1 20 . 1 1 54 54 VAL CB C 54 32.033 32.033 32.903 -0.870 19034 9385 1 20 . 1 1 54 54 VAL H H 54 7.804 7.804 7.751 0.053 19034 9386 1 20 . 1 1 55 55 GLU N N 55 126.140 126.140 126.759 -0.619 19034 9387 1 20 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.215 -0.042 19034 9388 1 20 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.139 -2.443 19034 9389 1 20 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.783 -4.023 19034 9390 1 20 . 1 1 55 55 GLU H H 55 8.578 8.578 8.596 -0.018 19034 9391 1 20 . 1 1 56 56 VAL N N 56 124.648 124.648 124.750 -0.102 19034 9392 1 20 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.349 0.006 19034 9393 1 20 . 1 1 56 56 VAL CA C 56 57.070 57.070 59.475 -2.405 19034 9394 1 20 . 1 1 56 56 VAL CB C 56 29.806 29.806 32.407 -2.601 19034 9395 1 20 . 1 1 56 56 VAL H H 56 7.661 7.661 8.261 -0.600 19034 9396 1 20 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.438 -0.321 19034 9397 1 20 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.779 -2.538 19034 9398 1 20 . 1 1 57 57 PRO CB C 57 29.245 29.245 30.278 -1.033 19034 9399 1 20 . 1 1 58 58 GLY N N 58 109.755 109.755 111.532 -1.777 19034 9400 1 20 . 1 1 58 58 GLY CA C 58 42.847 42.847 44.925 -2.078 19034 9401 1 20 . 1 1 58 58 GLY H H 58 8.577 8.577 8.177 0.400 19034 9402 1 20 . 1 1 59 59 CYS N N 59 118.400 118.400 120.145 -1.745 19034 9403 1 20 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.380 -0.325 19034 9404 1 20 . 1 1 59 59 CYS CA C 59 59.324 59.324 61.159 -1.835 19034 9405 1 20 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.629 -4.451 19034 9406 1 20 . 1 1 59 59 CYS H H 59 7.631 7.631 7.915 -0.284 19034 9407 1 20 . 1 1 60 60 GLY N N 60 119.002 119.002 113.797 5.205 19034 9408 1 20 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.501 -3.362 19034 9409 1 20 . 1 1 60 60 GLY H H 60 10.447 10.447 9.105 1.342 19034 9410 1 20 . 1 1 61 61 LYS N N 61 122.250 122.250 119.222 3.028 19034 9411 1 20 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.848 -0.517 19034 9412 1 20 . 1 1 61 61 LYS CA C 61 52.944 52.944 53.935 -0.991 19034 9413 1 20 . 1 1 61 61 LYS CB C 61 33.173 33.173 34.373 -1.200 19034 9414 1 20 . 1 1 61 61 LYS H H 61 8.233 8.233 7.368 0.865 19034 9415 1 20 . 1 1 62 62 ILE N N 62 118.312 118.312 122.799 -4.487 19034 9416 1 20 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.328 -0.032 19034 9417 1 20 . 1 1 62 62 ILE CA C 62 57.386 57.386 61.123 -3.737 19034 9418 1 20 . 1 1 62 62 ILE CB C 62 39.003 39.003 39.312 -0.309 19034 9419 1 20 . 1 1 62 62 ILE H H 62 7.272 7.272 8.629 -1.357 19034 9420 1 20 . 1 1 63 63 PHE N N 63 125.445 125.445 125.978 -0.533 19034 9421 1 20 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.025 0.275 19034 9422 1 20 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.824 -3.330 19034 9423 1 20 . 1 1 63 63 PHE CB C 63 39.791 39.791 40.776 -0.986 19034 9424 1 20 . 1 1 63 63 PHE H H 63 8.876 8.876 8.862 0.014 19034 9425 1 20 . 1 1 64 64 VAL N N 64 122.504 122.504 120.206 2.298 19034 9426 1 20 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.996 -0.676 19034 9427 1 20 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.055 -1.527 19034 9428 1 20 . 1 1 64 64 VAL CB C 64 32.571 32.571 36.098 -3.527 19034 9429 1 20 . 1 1 64 64 VAL H H 64 9.161 9.161 8.936 0.225 19034 9430 1 20 . 1 1 65 65 GLU N N 65 127.687 127.687 120.676 7.011 19034 9431 1 20 . 1 1 65 65 GLU HA H 65 4.677 4.677 5.036 -0.359 19034 9432 1 20 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.093 -2.647 19034 9433 1 20 . 1 1 65 65 GLU CB C 65 28.559 28.559 34.002 -5.443 19034 9434 1 20 . 1 1 65 65 GLU H H 65 8.601 8.601 8.247 0.354 19034 9435 1 20 . 1 1 66 66 PHE N N 66 126.672 126.672 122.702 3.970 19034 9436 1 20 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.487 -0.394 19034 9437 1 20 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.581 -1.396 19034 9438 1 20 . 1 1 66 66 PHE CB C 66 39.141 39.141 41.902 -2.761 19034 9439 1 20 . 1 1 66 66 PHE H H 66 9.352 9.352 8.746 0.606 19034 9440 1 20 . 1 1 67 67 THR N N 67 109.616 109.616 111.662 -2.046 19034 9441 1 20 . 1 1 67 67 THR HA H 67 4.248 4.248 4.442 -0.194 19034 9442 1 20 . 1 1 67 67 THR CA C 67 60.963 60.963 62.977 -2.014 19034 9443 1 20 . 1 1 67 67 THR CB C 67 66.974 66.974 69.838 -2.864 19034 9444 1 20 . 1 1 67 67 THR H H 67 9.072 9.072 8.386 0.686 19034 9445 1 20 . 1 1 68 68 SER N N 68 111.776 111.776 116.358 -4.582 19034 9446 1 20 . 1 1 68 68 SER HA H 68 4.922 4.922 4.815 0.107 19034 9447 1 20 . 1 1 68 68 SER CA C 68 53.411 53.411 57.708 -4.297 19034 9448 1 20 . 1 1 68 68 SER CB C 68 63.507 63.507 66.072 -2.565 19034 9449 1 20 . 1 1 68 68 SER H H 68 7.511 7.511 7.761 -0.250 19034 9450 1 20 . 1 1 69 69 VAL N N 69 123.476 123.476 124.181 -0.705 19034 9451 1 20 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.811 -0.406 19034 9452 1 20 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.352 -2.764 19034 9453 1 20 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.377 -2.499 19034 9454 1 20 . 1 1 69 69 VAL H H 69 8.854 8.854 9.063 -0.209 19034 9455 1 20 . 1 1 70 70 PHE N N 70 119.530 119.530 118.128 1.402 19034 9456 1 20 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.087 0.142 19034 9457 1 20 . 1 1 70 70 PHE CA C 70 57.902 57.902 62.001 -4.099 19034 9458 1 20 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.297 -2.034 19034 9459 1 20 . 1 1 70 70 PHE H H 70 7.673 7.673 8.370 -0.697 19034 9460 1 20 . 1 1 71 71 ASP N N 71 120.024 120.024 118.997 1.027 19034 9461 1 20 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.477 -0.301 19034 9462 1 20 . 1 1 71 71 ASP CA C 71 54.306 54.306 57.237 -2.931 19034 9463 1 20 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.170 -2.303 19034 9464 1 20 . 1 1 71 71 ASP H H 71 7.585 7.585 8.239 -0.654 19034 9465 1 20 . 1 1 72 72 CYS N N 72 119.689 119.689 117.658 2.031 19034 9466 1 20 . 1 1 72 72 CYS HA H 72 2.796 2.796 3.413 -0.617 19034 9467 1 20 . 1 1 72 72 CYS CA C 72 57.147 57.147 63.121 -5.974 19034 9468 1 20 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.450 -2.101 19034 9469 1 20 . 1 1 72 72 CYS H H 72 7.087 7.087 7.331 -0.244 19034 9470 1 20 . 1 1 73 73 GLN N N 73 117.350 117.350 120.080 -2.730 19034 9471 1 20 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.033 0.373 19034 9472 1 20 . 1 1 73 73 GLN CA C 73 56.361 56.361 59.256 -2.895 19034 9473 1 20 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.680 -1.797 19034 9474 1 20 . 1 1 73 73 GLN H H 73 8.478 8.478 7.755 0.723 19034 9475 1 20 . 1 1 74 74 LYS N N 74 119.692 119.692 119.261 0.431 19034 9476 1 20 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.115 -0.341 19034 9477 1 20 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.897 -2.070 19034 9478 1 20 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.337 -2.835 19034 9479 1 20 . 1 1 74 74 LYS H H 74 7.468 7.468 7.288 0.180 19034 9480 1 20 . 1 1 75 75 ALA N N 75 124.287 124.287 121.972 2.315 19034 9481 1 20 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.642 -1.047 19034 9482 1 20 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.683 -2.987 19034 9483 1 20 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.407 -1.316 19034 9484 1 20 . 1 1 75 75 ALA H H 75 7.549 7.549 8.129 -0.580 19034 9485 1 20 . 1 1 76 76 MET N N 76 118.919 118.919 118.671 0.248 19034 9486 1 20 . 1 1 76 76 MET HA H 76 3.490 3.490 3.829 -0.339 19034 9487 1 20 . 1 1 76 76 MET CA C 76 56.956 56.956 57.910 -0.954 19034 9488 1 20 . 1 1 76 76 MET CB C 76 28.966 28.966 31.938 -2.972 19034 9489 1 20 . 1 1 76 76 MET H H 76 8.700 8.700 8.148 0.552 19034 9490 1 20 . 1 1 77 77 GLN N N 77 118.282 118.282 116.855 1.427 19034 9491 1 20 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.092 -0.236 19034 9492 1 20 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.985 -2.285 19034 9493 1 20 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.731 -2.950 19034 9494 1 20 . 1 1 77 77 GLN H H 77 7.798 7.798 7.929 -0.131 19034 9495 1 20 . 1 1 78 78 GLY N N 78 106.137 106.137 106.932 -0.795 19034 9496 1 20 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.405 -2.657 19034 9497 1 20 . 1 1 78 78 GLY H H 78 7.797 7.797 7.905 -0.108 19034 9498 1 20 . 1 1 79 79 LEU N N 79 118.753 118.753 117.806 0.947 19034 9499 1 20 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.551 -0.361 19034 9500 1 20 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.118 0.145 19034 9501 1 20 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.698 -1.784 19034 9502 1 20 . 1 1 79 79 LEU H H 79 8.039 8.039 7.377 0.662 19034 9503 1 20 . 1 1 80 80 THR N N 80 114.360 114.360 117.584 -3.224 19034 9504 1 20 . 1 1 80 80 THR HA H 80 3.550 3.550 3.970 -0.420 19034 9505 1 20 . 1 1 80 80 THR CA C 80 63.539 63.539 65.051 -1.512 19034 9506 1 20 . 1 1 80 80 THR CB C 80 66.102 66.102 68.294 -2.192 19034 9507 1 20 . 1 1 80 80 THR H H 80 7.177 7.177 7.464 -0.287 19034 9508 1 20 . 1 1 81 81 GLY N N 81 115.554 115.554 115.388 0.166 19034 9509 1 20 . 1 1 81 81 GLY CA C 81 42.993 42.993 44.811 -1.818 19034 9510 1 20 . 1 1 81 81 GLY H H 81 8.680 8.680 8.262 0.418 19034 9511 1 20 . 1 1 82 82 ARG N N 82 120.945 120.945 121.918 -0.973 19034 9512 1 20 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.279 -0.186 19034 9513 1 20 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.362 -2.916 19034 9514 1 20 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.046 -2.898 19034 9515 1 20 . 1 1 82 82 ARG H H 82 7.520 7.520 7.847 -0.327 19034 9516 1 20 . 1 1 83 83 LYS N N 83 121.584 121.584 119.620 1.964 19034 9517 1 20 . 1 1 83 83 LYS HA H 83 5.008 5.008 4.988 0.020 19034 9518 1 20 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.383 -2.661 19034 9519 1 20 . 1 1 83 83 LYS CB C 83 31.590 31.590 32.715 -1.125 19034 9520 1 20 . 1 1 83 83 LYS H H 83 8.165 8.165 8.573 -0.408 19034 9521 1 20 . 1 1 84 84 PHE N N 84 125.104 125.104 121.894 3.210 19034 9522 1 20 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.389 0.048 19034 9523 1 20 . 1 1 84 84 PHE CA C 84 54.773 54.773 57.936 -3.163 19034 9524 1 20 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.556 0.531 19034 9525 1 20 . 1 1 84 84 PHE H H 84 8.656 8.656 8.905 -0.249 19034 9526 1 20 . 1 1 85 85 ALA N N 85 127.849 127.849 120.254 7.595 19034 9527 1 20 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.207 -0.439 19034 9528 1 20 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.850 -1.802 19034 9529 1 20 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.633 -5.512 19034 9530 1 20 . 1 1 85 85 ALA H H 85 8.831 8.831 7.702 1.129 19034 9531 1 20 . 1 1 86 86 ASN N N 86 113.065 113.065 114.910 -1.845 19034 9532 1 20 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.816 -0.457 19034 9533 1 20 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.608 -2.199 19034 9534 1 20 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.789 -5.067 19034 9535 1 20 . 1 1 86 86 ASN H H 86 8.406 8.406 8.625 -0.219 19034 9536 1 20 . 1 1 87 87 ARG N N 87 121.167 121.167 119.764 1.403 19034 9537 1 20 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.607 -0.086 19034 9538 1 20 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.623 -1.837 19034 9539 1 20 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.324 -2.444 19034 9540 1 20 . 1 1 87 87 ARG H H 87 8.250 8.250 8.115 0.135 19034 9541 1 20 . 1 1 88 88 VAL N N 88 121.437 121.437 123.013 -1.576 19034 9542 1 20 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.388 -0.114 19034 9543 1 20 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.830 -3.549 19034 9544 1 20 . 1 1 88 88 VAL CB C 88 30.290 30.290 31.680 -1.390 19034 9545 1 20 . 1 1 88 88 VAL H H 88 8.279 8.279 8.386 -0.107 19034 9546 1 20 . 1 1 89 89 VAL N N 89 127.754 127.754 127.407 0.347 19034 9547 1 20 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.227 -0.115 19034 9548 1 20 . 1 1 89 89 VAL CA C 89 61.131 61.131 60.977 0.154 19034 9549 1 20 . 1 1 89 89 VAL CB C 89 30.108 30.108 33.643 -3.535 19034 9550 1 20 . 1 1 89 89 VAL H H 89 8.601 8.601 8.795 -0.194 19034 9551 1 20 . 1 1 90 90 VAL N N 90 127.874 127.874 120.530 7.344 19034 9552 1 20 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.417 -0.096 19034 9553 1 20 . 1 1 90 90 VAL CA C 90 58.489 58.489 59.838 -1.349 19034 9554 1 20 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.383 -1.037 19034 9555 1 20 . 1 1 90 90 VAL H H 90 7.866 7.866 8.316 -0.450 19034 9556 1 20 . 1 1 91 91 THR N N 91 114.187 114.187 114.836 -0.649 19034 9557 1 20 . 1 1 91 91 THR HA H 91 5.528 5.528 4.325 1.203 19034 9558 1 20 . 1 1 91 91 THR CA C 91 56.193 56.193 60.489 -4.296 19034 9559 1 20 . 1 1 91 91 THR CB C 91 69.553 69.553 69.956 -0.402 19034 9560 1 20 . 1 1 91 91 THR H H 91 8.119 8.119 8.195 -0.076 19034 9561 1 20 . 1 1 92 92 LYS N N 92 116.111 116.111 118.759 -2.648 19034 9562 1 20 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.336 0.010 19034 9563 1 20 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.992 -2.338 19034 9564 1 20 . 1 1 92 92 LYS CB C 92 33.887 33.887 34.404 -0.516 19034 9565 1 20 . 1 1 92 92 LYS H H 92 8.199 8.199 7.954 0.245 19034 9566 1 20 . 1 1 93 93 TYR N N 93 121.017 121.017 120.481 0.536 19034 9567 1 20 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.908 0.052 19034 9568 1 20 . 1 1 93 93 TYR CA C 93 56.410 56.410 58.252 -1.843 19034 9569 1 20 . 1 1 93 93 TYR CB C 93 36.540 36.540 37.801 -1.261 19034 9570 1 20 . 1 1 93 93 TYR H H 93 8.450 8.450 8.403 0.047 19034 9571 1 20 . 1 1 94 94 CYS N N 94 119.566 119.566 124.081 -4.515 19034 9572 1 20 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.619 0.193 19034 9573 1 20 . 1 1 94 94 CYS CA C 94 54.001 54.001 59.081 -5.080 19034 9574 1 20 . 1 1 94 94 CYS CB C 94 27.586 27.586 30.512 -2.926 19034 9575 1 20 . 1 1 94 94 CYS H H 94 8.614 8.614 8.751 -0.137 19034 9576 1 20 . 1 1 95 95 ASP N N 95 128.707 128.707 122.201 6.506 19034 9577 1 20 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.010 -0.173 19034 9578 1 20 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.707 -2.697 19034 9579 1 20 . 1 1 95 95 ASP CB C 95 39.716 39.716 41.502 -1.786 19034 9580 1 20 . 1 1 95 95 ASP H H 95 8.969 8.969 9.025 -0.056 19034 9581 1 20 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.030 -2.295 19034 9582 1 20 . 1 1 97 97 ASP N N 97 118.102 118.102 115.801 2.301 19034 9583 1 20 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.494 -0.065 19034 9584 1 20 . 1 1 97 97 ASP CA C 97 55.041 55.041 56.899 -1.858 19034 9585 1 20 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.638 -2.879 19034 9586 1 20 . 1 1 97 97 ASP H H 97 8.189 8.189 8.586 -0.397 19034 9587 1 20 . 1 1 98 98 SER N N 98 116.394 116.394 112.795 3.599 19034 9588 1 20 . 1 1 98 98 SER HA H 98 3.961 3.961 4.204 -0.243 19034 9589 1 20 . 1 1 98 98 SER CA C 98 59.519 59.519 60.809 -1.290 19034 9590 1 20 . 1 1 98 98 SER H H 98 7.792 7.792 7.537 0.255 19034 9591 1 20 . 1 1 99 99 TYR N N 99 121.890 121.890 124.371 -2.481 19034 9592 1 20 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.428 -0.686 19034 9593 1 20 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.941 -2.143 19034 9594 1 20 . 1 1 99 99 TYR CB C 99 36.175 36.175 38.480 -2.305 19034 9595 1 20 . 1 1 99 99 TYR H H 99 7.625 7.625 7.427 0.198 19034 9596 1 20 . 1 1 100 100 HIS N N 100 118.065 118.065 115.679 2.386 19034 9597 1 20 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.366 -0.236 19034 9598 1 20 . 1 1 100 100 HIS CA C 100 55.608 55.608 57.360 -1.752 19034 9599 1 20 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.040 -4.246 19034 9600 1 20 . 1 1 100 100 HIS H H 100 8.425 8.425 7.872 0.553 19034 9601 1 20 . 1 1 101 101 ARG N N 101 116.756 116.756 118.477 -1.721 19034 9602 1 20 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.527 -0.426 19034 9603 1 20 . 1 1 101 101 ARG CA C 101 53.641 53.641 53.868 -0.227 19034 9604 1 20 . 1 1 101 101 ARG CB C 101 28.109 28.109 32.292 -4.183 19034 9605 1 20 . 1 1 101 101 ARG H H 101 7.406 7.406 7.682 -0.276 19034 9606 1 20 . 1 1 102 102 ARG N N 102 115.254 115.254 120.964 -5.710 19034 9607 1 20 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.851 -1.551 19034 9608 1 20 . 1 1 102 102 ARG CA C 102 53.586 53.586 55.366 -1.780 19034 9609 1 20 . 1 1 102 102 ARG CB C 102 25.084 25.084 28.911 -3.827 19034 9610 1 20 . 1 1 102 102 ARG H H 102 7.297 7.297 8.537 -1.240 19034 9611 1 20 . 1 1 103 103 ASP N N 103 119.588 119.588 120.521 -0.933 19034 9612 1 20 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.409 -0.063 19034 9613 1 20 . 1 1 103 103 ASP CA C 103 49.581 49.581 52.896 -3.315 19034 9614 1 20 . 1 1 103 103 ASP CB C 103 37.749 37.749 41.443 -3.694 19034 9615 1 20 . 1 1 103 103 ASP H H 103 7.467 7.467 6.735 0.732 19034 9616 1 20 . 1 1 104 104 PHE N N 104 120.438 120.438 120.941 -0.503 19034 9617 1 20 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.747 -0.407 19034 9618 1 20 . 1 1 104 104 PHE CA C 104 52.701 52.701 56.997 -4.296 19034 9619 1 20 . 1 1 104 104 PHE CB C 104 36.842 36.842 41.009 -4.167 19034 9620 1 20 . 1 1 104 104 PHE H H 104 7.138 7.138 7.955 -0.817 19034 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 96 3.188 -0.400 3.179 19034 2 1 1 "Average Difference" HA 94 0.383 0.198 0.329 19034 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19034 4 1 1 "Average Difference" CA 100 2.747 2.421 1.306 19034 5 1 1 "Average Difference" CB 95 2.828 2.566 1.196 19034 6 1 1 "Average Difference" HN 96 0.567 -0.051 0.568 19034 7 1 2 "Average Difference" N 96 3.309 -0.385 3.304 19034 8 1 2 "Average Difference" HA 94 0.384 0.205 0.327 19034 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19034 10 1 2 "Average Difference" CA 100 2.777 2.402 1.401 19034 11 1 2 "Average Difference" CB 95 2.869 2.636 1.140 19034 12 1 2 "Average Difference" HN 96 0.563 -0.030 0.565 19034 13 1 3 "Average Difference" N 96 2.959 0.111 2.972 19034 14 1 3 "Average Difference" HA 94 0.356 0.193 0.301 19034 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19034 16 1 3 "Average Difference" CA 100 2.735 2.425 1.270 19034 17 1 3 "Average Difference" CB 95 2.803 2.458 1.354 19034 18 1 3 "Average Difference" HN 96 0.536 -0.076 0.534 19034 19 1 4 "Average Difference" N 96 3.109 -0.137 3.122 19034 20 1 4 "Average Difference" HA 94 0.377 0.213 0.313 19034 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19034 22 1 4 "Average Difference" CA 100 2.798 2.441 1.374 19034 23 1 4 "Average Difference" CB 95 2.791 2.504 1.238 19034 24 1 4 "Average Difference" HN 96 0.556 -0.003 0.559 19034 25 1 5 "Average Difference" N 96 3.265 -0.328 3.266 19034 26 1 5 "Average Difference" HA 94 0.407 0.214 0.347 19034 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19034 28 1 5 "Average Difference" CA 100 2.718 2.411 1.260 19034 29 1 5 "Average Difference" CB 95 2.959 2.700 1.217 19034 30 1 5 "Average Difference" HN 96 0.565 0.003 0.568 19034 31 1 6 "Average Difference" N 96 2.869 0.159 2.880 19034 32 1 6 "Average Difference" HA 94 0.389 0.195 0.338 19034 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19034 34 1 6 "Average Difference" CA 100 2.739 2.465 1.200 19034 35 1 6 "Average Difference" CB 95 2.857 2.590 1.214 19034 36 1 6 "Average Difference" HN 96 0.512 -0.046 0.512 19034 37 1 7 "Average Difference" N 96 2.970 -0.271 2.973 19034 38 1 7 "Average Difference" HA 94 0.349 0.208 0.282 19034 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19034 40 1 7 "Average Difference" CA 100 2.714 2.422 1.232 19034 41 1 7 "Average Difference" CB 95 2.822 2.607 1.086 19034 42 1 7 "Average Difference" HN 96 0.514 -0.029 0.516 19034 43 1 8 "Average Difference" N 96 3.069 -0.009 3.085 19034 44 1 8 "Average Difference" HA 94 0.395 0.197 0.344 19034 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19034 46 1 8 "Average Difference" CA 100 2.716 2.396 1.285 19034 47 1 8 "Average Difference" CB 95 2.741 2.504 1.121 19034 48 1 8 "Average Difference" HN 96 0.527 -0.039 0.528 19034 49 1 9 "Average Difference" N 96 2.911 -0.108 2.924 19034 50 1 9 "Average Difference" HA 94 0.388 0.195 0.337 19034 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19034 52 1 9 "Average Difference" CA 100 2.743 2.454 1.232 19034 53 1 9 "Average Difference" CB 95 2.853 2.571 1.244 19034 54 1 9 "Average Difference" HN 96 0.613 -0.044 0.614 19034 55 1 10 "Average Difference" N 96 2.982 0.104 2.995 19034 56 1 10 "Average Difference" HA 94 0.419 0.206 0.366 19034 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19034 58 1 10 "Average Difference" CA 100 2.737 2.435 1.256 19034 59 1 10 "Average Difference" CB 95 2.849 2.546 1.287 19034 60 1 10 "Average Difference" HN 96 0.556 -0.015 0.558 19034 61 1 11 "Average Difference" N 96 3.077 -0.224 3.085 19034 62 1 11 "Average Difference" HA 94 0.335 0.183 0.282 19034 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19034 64 1 11 "Average Difference" CA 100 2.844 2.513 1.338 19034 65 1 11 "Average Difference" CB 95 2.785 2.528 1.176 19034 66 1 11 "Average Difference" HN 96 0.608 -0.002 0.611 19034 67 1 12 "Average Difference" N 96 3.210 -0.086 3.226 19034 68 1 12 "Average Difference" HA 94 0.364 0.174 0.321 19034 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19034 70 1 12 "Average Difference" CA 100 2.796 2.524 1.210 19034 71 1 12 "Average Difference" CB 95 2.794 2.507 1.240 19034 72 1 12 "Average Difference" HN 96 0.549 -0.052 0.550 19034 73 1 13 "Average Difference" N 96 3.122 0.074 3.138 19034 74 1 13 "Average Difference" HA 94 0.436 0.202 0.389 19034 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19034 76 1 13 "Average Difference" CA 100 2.778 2.498 1.221 19034 77 1 13 "Average Difference" CB 95 2.703 2.414 1.223 19034 78 1 13 "Average Difference" HN 96 0.537 -0.051 0.537 19034 79 1 14 "Average Difference" N 96 3.190 -0.315 3.191 19034 80 1 14 "Average Difference" HA 94 0.384 0.192 0.334 19034 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19034 82 1 14 "Average Difference" CA 100 2.648 2.349 1.230 19034 83 1 14 "Average Difference" CB 95 2.749 2.491 1.171 19034 84 1 14 "Average Difference" HN 96 0.513 -0.077 0.510 19034 85 1 15 "Average Difference" N 96 3.082 -0.199 3.091 19034 86 1 15 "Average Difference" HA 94 0.372 0.153 0.341 19034 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19034 88 1 15 "Average Difference" CA 100 2.746 2.446 1.255 19034 89 1 15 "Average Difference" CB 95 2.756 2.422 1.323 19034 90 1 15 "Average Difference" HN 96 0.572 -0.042 0.574 19034 91 1 16 "Average Difference" N 96 3.059 -0.075 3.074 19034 92 1 16 "Average Difference" HA 94 0.370 0.216 0.302 19034 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19034 94 1 16 "Average Difference" CA 100 2.707 2.427 1.205 19034 95 1 16 "Average Difference" CB 95 2.759 2.547 1.065 19034 96 1 16 "Average Difference" HN 96 0.544 0.004 0.547 19034 97 1 17 "Average Difference" N 96 3.089 -0.266 3.094 19034 98 1 17 "Average Difference" HA 94 0.339 0.195 0.279 19034 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19034 100 1 17 "Average Difference" CA 100 2.756 2.426 1.313 19034 101 1 17 "Average Difference" CB 95 2.708 2.445 1.170 19034 102 1 17 "Average Difference" HN 96 0.569 -0.050 0.570 19034 103 1 18 "Average Difference" N 96 3.081 -0.255 3.087 19034 104 1 18 "Average Difference" HA 94 0.353 0.178 0.306 19034 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19034 106 1 18 "Average Difference" CA 100 2.659 2.351 1.250 19034 107 1 18 "Average Difference" CB 95 2.811 2.484 1.323 19034 108 1 18 "Average Difference" HN 96 0.620 -0.094 0.616 19034 109 1 19 "Average Difference" N 96 2.981 -0.225 2.988 19034 110 1 19 "Average Difference" HA 94 0.370 0.206 0.309 19034 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19034 112 1 19 "Average Difference" CA 100 2.751 2.435 1.287 19034 113 1 19 "Average Difference" CB 95 2.817 2.566 1.170 19034 114 1 19 "Average Difference" HN 96 0.538 -0.035 0.539 19034 115 1 20 "Average Difference" N 96 3.107 -0.049 3.123 19034 116 1 20 "Average Difference" HA 94 0.402 0.192 0.355 19034 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19034 118 1 20 "Average Difference" CA 100 2.771 2.458 1.286 19034 119 1 20 "Average Difference" CB 95 2.821 2.494 1.324 19034 120 1 20 "Average Difference" HN 96 0.574 -0.053 0.575 19034 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 19034 _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 GLY CA C 2 42.457 42.457 44.889 -2.432 19034 2 1 . 1 1 3 3 HIS N N 3 118.891 118.891 118.799 0.092 19034 3 1 . 1 1 3 3 HIS HA H 3 4.833 4.833 4.703 0.130 19034 4 1 . 1 1 3 3 HIS CA C 3 50.518 50.518 53.761 -3.243 19034 5 1 . 1 1 3 3 HIS CB C 3 26.412 26.412 29.833 -3.421 19034 6 1 . 1 1 3 3 HIS H H 3 8.079 8.079 8.254 -0.175 19034 7 1 . 1 1 4 4 PRO HA H 4 2.016 2.016 3.503 -1.487 19034 8 1 . 1 1 4 4 PRO CA C 4 59.967 59.967 62.519 -2.552 19034 9 1 . 1 1 4 4 PRO CB C 4 29.938 29.938 32.022 -2.083 19034 10 1 . 1 1 5 5 THR N N 5 113.236 113.236 112.896 0.340 19034 11 1 . 1 1 5 5 THR HA H 5 4.430 4.430 4.572 -0.142 19034 12 1 . 1 1 5 5 THR CA C 5 56.748 56.748 59.530 -2.782 19034 13 1 . 1 1 5 5 THR CB C 5 69.859 69.859 71.625 -1.766 19034 14 1 . 1 1 5 5 THR H H 5 6.242 6.242 7.686 -1.444 19034 15 1 . 1 1 6 6 GLU N N 6 114.417 114.417 119.592 -5.175 19034 16 1 . 1 1 6 6 GLU HA H 6 4.175 4.175 4.314 -0.139 19034 17 1 . 1 1 6 6 GLU CA C 6 55.424 55.424 57.604 -2.180 19034 18 1 . 1 1 6 6 GLU CB C 6 26.129 26.129 29.344 -3.215 19034 19 1 . 1 1 6 6 GLU H H 6 10.185 10.185 8.797 1.388 19034 20 1 . 1 1 7 7 VAL N N 7 119.290 119.290 116.767 2.523 19034 21 1 . 1 1 7 7 VAL HA H 7 5.038 5.038 4.722 0.316 19034 22 1 . 1 1 7 7 VAL CA C 7 58.276 58.276 60.504 -2.228 19034 23 1 . 1 1 7 7 VAL CB C 7 30.522 30.522 33.835 -3.313 19034 24 1 . 1 1 7 7 VAL H H 7 8.270 8.270 7.376 0.894 19034 25 1 . 1 1 8 8 LEU N N 8 130.138 130.138 124.881 5.257 19034 26 1 . 1 1 8 8 LEU HA H 8 4.641 4.641 5.027 -0.386 19034 27 1 . 1 1 8 8 LEU CA C 8 49.788 49.788 53.812 -4.024 19034 28 1 . 1 1 8 8 LEU CB C 8 43.885 43.885 45.978 -2.093 19034 29 1 . 1 1 8 8 LEU H H 8 9.316 9.316 8.846 0.470 19034 30 1 . 1 1 9 9 CYS N N 9 123.769 123.769 123.938 -0.169 19034 31 1 . 1 1 9 9 CYS HA H 9 5.039 5.039 5.015 0.024 19034 32 1 . 1 1 9 9 CYS CA C 9 53.248 53.248 56.976 -3.728 19034 33 1 . 1 1 9 9 CYS CB C 9 26.228 26.228 29.352 -3.124 19034 34 1 . 1 1 9 9 CYS H H 9 8.902 8.902 9.009 -0.107 19034 35 1 . 1 1 10 10 LEU N N 10 127.313 127.313 127.708 -0.395 19034 36 1 . 1 1 10 10 LEU HA H 10 4.584 4.584 5.035 -0.451 19034 37 1 . 1 1 10 10 LEU CA C 10 51.368 51.368 53.293 -1.925 19034 38 1 . 1 1 10 10 LEU CB C 10 40.709 40.709 43.915 -3.206 19034 39 1 . 1 1 10 10 LEU H H 10 9.203 9.203 8.897 0.306 19034 40 1 . 1 1 11 11 MET N N 11 124.158 124.158 121.134 3.024 19034 41 1 . 1 1 11 11 MET HA H 11 4.481 4.481 4.706 -0.225 19034 42 1 . 1 1 11 11 MET CA C 11 52.655 52.655 55.118 -2.463 19034 43 1 . 1 1 11 11 MET CB C 11 33.156 33.156 35.323 -2.167 19034 44 1 . 1 1 11 11 MET H H 11 9.161 9.161 8.263 0.898 19034 45 1 . 1 1 12 12 ASN N N 12 114.067 114.067 113.816 0.252 19034 46 1 . 1 1 12 12 ASN HA H 12 4.281 4.281 4.327 -0.046 19034 47 1 . 1 1 12 12 ASN CA C 12 51.685 51.685 54.762 -3.077 19034 48 1 . 1 1 12 12 ASN CB C 12 35.314 35.314 36.836 -1.522 19034 49 1 . 1 1 12 12 ASN H H 12 8.842 8.842 8.957 -0.115 19034 50 1 . 1 1 13 13 MET N N 13 118.202 118.202 117.740 0.462 19034 51 1 . 1 1 13 13 MET HA H 13 3.952 3.952 4.299 -0.347 19034 52 1 . 1 1 13 13 MET CA C 13 55.132 55.132 58.165 -3.033 19034 53 1 . 1 1 13 13 MET CB C 13 31.944 31.944 33.753 -1.809 19034 54 1 . 1 1 13 13 MET H H 13 8.519 8.519 8.072 0.447 19034 55 1 . 1 1 14 14 VAL N N 14 110.436 110.436 112.233 -1.797 19034 56 1 . 1 1 14 14 VAL HA H 14 4.452 4.452 4.464 -0.012 19034 57 1 . 1 1 14 14 VAL CA C 14 55.821 55.821 60.175 -4.354 19034 58 1 . 1 1 14 14 VAL CB C 14 32.754 32.754 33.796 -1.042 19034 59 1 . 1 1 14 14 VAL H H 14 6.949 6.949 7.662 -0.713 19034 60 1 . 1 1 15 15 LEU N N 15 123.248 123.248 120.570 2.678 19034 61 1 . 1 1 15 15 LEU HA H 15 4.779 4.779 4.807 -0.028 19034 62 1 . 1 1 15 15 LEU CA C 15 48.881 48.881 51.836 -2.955 19034 63 1 . 1 1 15 15 LEU CB C 15 39.500 39.500 42.261 -2.762 19034 64 1 . 1 1 15 15 LEU H H 15 8.346 8.346 8.476 -0.130 19034 65 1 . 1 1 16 16 PRO HA H 16 3.883 3.883 4.411 -0.528 19034 66 1 . 1 1 16 16 PRO CA C 16 56.106 56.106 64.199 -8.093 19034 67 1 . 1 1 16 16 PRO CB C 16 29.513 29.513 31.866 -2.353 19034 68 1 . 1 1 17 17 GLU N N 17 119.496 119.496 115.121 4.376 19034 69 1 . 1 1 17 17 GLU HA H 17 4.111 4.111 4.492 -0.381 19034 70 1 . 1 1 17 17 GLU CA C 17 54.495 54.495 56.361 -1.866 19034 71 1 . 1 1 17 17 GLU CB C 17 26.888 26.888 29.410 -2.522 19034 72 1 . 1 1 17 17 GLU H H 17 7.754 7.754 8.351 -0.597 19034 73 1 . 1 1 18 18 GLU N N 18 112.697 112.697 118.905 -6.208 19034 74 1 . 1 1 18 18 GLU HA H 18 3.978 3.978 4.527 -0.549 19034 75 1 . 1 1 18 18 GLU CA C 18 56.285 56.285 56.158 0.128 19034 76 1 . 1 1 18 18 GLU CB C 18 26.076 26.076 31.119 -5.043 19034 77 1 . 1 1 18 18 GLU H H 18 8.975 8.975 7.860 1.115 19034 78 1 . 1 1 19 19 LEU N N 19 113.096 113.096 121.805 -8.709 19034 79 1 . 1 1 19 19 LEU HA H 19 4.419 4.419 4.512 -0.093 19034 80 1 . 1 1 19 19 LEU CA C 19 50.949 50.949 55.021 -4.073 19034 81 1 . 1 1 19 19 LEU CB C 19 40.343 40.343 41.105 -0.762 19034 82 1 . 1 1 19 19 LEU H H 19 7.266 7.266 8.044 -0.778 19034 83 1 . 1 1 20 20 LEU N N 20 119.130 119.130 118.491 0.639 19034 84 1 . 1 1 20 20 LEU HA H 20 4.038 4.038 4.462 -0.424 19034 85 1 . 1 1 20 20 LEU CA C 20 54.002 54.002 54.822 -0.820 19034 86 1 . 1 1 20 20 LEU CB C 20 40.266 40.266 42.746 -2.480 19034 87 1 . 1 1 20 20 LEU H H 20 7.102 7.102 7.819 -0.717 19034 88 1 . 1 1 21 21 ASP N N 21 120.713 120.713 121.178 -0.465 19034 89 1 . 1 1 21 21 ASP HA H 21 4.607 4.607 4.645 -0.038 19034 90 1 . 1 1 21 21 ASP CA C 21 50.806 50.806 54.688 -3.882 19034 91 1 . 1 1 21 21 ASP CB C 21 40.567 40.567 41.643 -1.076 19034 92 1 . 1 1 21 21 ASP H H 21 8.071 8.071 7.964 0.107 19034 93 1 . 1 1 22 22 ASP N N 22 126.353 126.353 123.684 2.669 19034 94 1 . 1 1 22 22 ASP HA H 22 4.242 4.242 4.369 -0.127 19034 95 1 . 1 1 22 22 ASP CA C 22 55.650 55.650 56.389 -0.740 19034 96 1 . 1 1 22 22 ASP CB C 22 38.083 38.083 41.137 -3.054 19034 97 1 . 1 1 22 22 ASP H H 22 8.835 8.835 8.632 0.204 19034 98 1 . 1 1 23 23 GLU N N 23 119.623 119.623 118.519 1.104 19034 99 1 . 1 1 23 23 GLU HA H 23 4.066 4.066 4.191 -0.125 19034 100 1 . 1 1 23 23 GLU CA C 23 56.840 56.840 58.427 -1.587 19034 101 1 . 1 1 23 23 GLU CB C 23 26.412 26.412 29.529 -3.117 19034 102 1 . 1 1 23 23 GLU H H 23 8.177 8.177 8.396 -0.219 19034 103 1 . 1 1 24 24 GLU N N 24 121.959 121.959 120.627 1.332 19034 104 1 . 1 1 24 24 GLU HA H 24 3.996 3.996 4.180 -0.184 19034 105 1 . 1 1 24 24 GLU CA C 24 56.361 56.361 58.751 -2.390 19034 106 1 . 1 1 24 24 GLU CB C 24 26.457 26.457 29.500 -3.043 19034 107 1 . 1 1 24 24 GLU H H 24 8.218 8.218 8.312 -0.094 19034 108 1 . 1 1 25 25 TYR N N 25 119.522 119.522 120.186 -0.664 19034 109 1 . 1 1 25 25 TYR HA H 25 3.951 3.951 4.074 -0.123 19034 110 1 . 1 1 25 25 TYR CA C 25 59.647 59.647 61.788 -2.142 19034 111 1 . 1 1 25 25 TYR CB C 25 36.005 36.005 38.530 -2.525 19034 112 1 . 1 1 25 25 TYR H H 25 8.694 8.694 8.158 0.536 19034 113 1 . 1 1 26 26 GLU N N 26 116.410 116.410 117.394 -0.984 19034 114 1 . 1 1 26 26 GLU HA H 26 3.702 3.702 4.079 -0.377 19034 115 1 . 1 1 26 26 GLU CA C 26 56.329 56.329 59.173 -2.844 19034 116 1 . 1 1 26 26 GLU CB C 26 26.178 26.178 29.526 -3.348 19034 117 1 . 1 1 26 26 GLU H H 26 7.852 7.852 8.064 -0.212 19034 118 1 . 1 1 27 27 GLU N N 27 118.895 118.895 119.962 -1.067 19034 119 1 . 1 1 27 27 GLU HA H 27 3.921 3.921 4.051 -0.130 19034 120 1 . 1 1 27 27 GLU CA C 27 56.445 56.445 59.104 -2.659 19034 121 1 . 1 1 27 27 GLU CB C 27 26.240 26.240 29.399 -3.159 19034 122 1 . 1 1 27 27 GLU H H 27 7.555 7.555 7.675 -0.120 19034 123 1 . 1 1 28 28 ILE N N 28 121.720 121.720 119.377 2.343 19034 124 1 . 1 1 28 28 ILE HA H 28 3.642 3.642 3.678 -0.036 19034 125 1 . 1 1 28 28 ILE CA C 28 62.355 62.355 64.924 -2.569 19034 126 1 . 1 1 28 28 ILE CB C 28 35.066 35.066 37.723 -2.657 19034 127 1 . 1 1 28 28 ILE H H 28 7.918 7.918 7.933 -0.015 19034 128 1 . 1 1 29 29 VAL N N 29 119.336 119.336 119.345 -0.009 19034 129 1 . 1 1 29 29 VAL HA H 29 3.035 3.035 3.507 -0.472 19034 130 1 . 1 1 29 29 VAL CA C 29 64.607 64.607 66.621 -2.013 19034 131 1 . 1 1 29 29 VAL CB C 29 29.064 29.064 31.135 -2.071 19034 132 1 . 1 1 29 29 VAL H H 29 7.832 7.832 7.467 0.365 19034 133 1 . 1 1 30 30 GLU N N 30 116.291 116.291 119.271 -2.980 19034 134 1 . 1 1 30 30 GLU HA H 30 3.877 3.877 4.020 -0.143 19034 135 1 . 1 1 30 30 GLU CA C 30 56.061 56.061 59.416 -3.355 19034 136 1 . 1 1 30 30 GLU CB C 30 26.111 26.111 29.209 -3.098 19034 137 1 . 1 1 30 30 GLU H H 30 7.405 7.405 7.725 -0.320 19034 138 1 . 1 1 31 31 ASP N N 31 120.811 120.811 120.116 0.695 19034 139 1 . 1 1 31 31 ASP HA H 31 4.374 4.374 4.393 -0.019 19034 140 1 . 1 1 31 31 ASP CA C 31 54.532 54.532 57.218 -2.686 19034 141 1 . 1 1 31 31 ASP CB C 31 37.285 37.285 40.817 -3.532 19034 142 1 . 1 1 31 31 ASP H H 31 8.471 8.471 8.157 0.314 19034 143 1 . 1 1 32 32 VAL N N 32 121.006 121.006 119.013 1.993 19034 144 1 . 1 1 32 32 VAL HA H 32 3.411 3.411 3.581 -0.170 19034 145 1 . 1 1 32 32 VAL CA C 32 64.215 64.215 65.117 -0.902 19034 146 1 . 1 1 32 32 VAL CB C 32 28.545 28.545 31.460 -2.915 19034 147 1 . 1 1 32 32 VAL H H 32 8.655 8.655 7.490 1.165 19034 148 1 . 1 1 33 33 ARG N N 33 122.143 122.143 120.828 1.315 19034 149 1 . 1 1 33 33 ARG HA H 33 3.493 3.493 3.920 -0.427 19034 150 1 . 1 1 33 33 ARG CA C 33 58.431 58.431 59.754 -1.323 19034 151 1 . 1 1 33 33 ARG CB C 33 27.232 27.232 29.895 -2.663 19034 152 1 . 1 1 33 33 ARG H H 33 8.507 8.507 7.931 0.576 19034 153 1 . 1 1 34 34 ASP N N 34 120.971 120.971 118.243 2.728 19034 154 1 . 1 1 34 34 ASP HA H 34 4.256 4.256 4.352 -0.096 19034 155 1 . 1 1 34 34 ASP CA C 34 55.100 55.100 57.344 -2.244 19034 156 1 . 1 1 34 34 ASP CB C 34 38.076 38.076 40.865 -2.789 19034 157 1 . 1 1 34 34 ASP H H 34 8.633 8.633 7.851 0.782 19034 158 1 . 1 1 35 35 GLU N N 35 119.918 119.918 118.796 1.122 19034 159 1 . 1 1 35 35 GLU HA H 35 4.064 4.064 4.090 -0.026 19034 160 1 . 1 1 35 35 GLU CA C 35 56.431 56.431 58.846 -2.415 19034 161 1 . 1 1 35 35 GLU CB C 35 26.860 26.860 29.369 -2.509 19034 162 1 . 1 1 35 35 GLU H H 35 8.184 8.184 7.789 0.395 19034 163 1 . 1 1 36 36 CYS N N 36 114.288 114.288 118.231 -3.943 19034 164 1 . 1 1 36 36 CYS HA H 36 4.374 4.374 4.595 -0.221 19034 165 1 . 1 1 36 36 CYS CA C 36 62.543 62.543 61.404 1.139 19034 166 1 . 1 1 36 36 CYS CB C 36 24.910 24.910 27.649 -2.739 19034 167 1 . 1 1 36 36 CYS H H 36 8.584 8.584 8.172 0.412 19034 168 1 . 1 1 37 37 SER N N 37 114.987 114.987 116.647 -1.660 19034 169 1 . 1 1 37 37 SER HA H 37 5.135 5.135 4.458 0.677 19034 170 1 . 1 1 37 37 SER CA C 37 58.124 58.124 61.024 -2.900 19034 171 1 . 1 1 37 37 SER CB C 37 60.481 60.481 62.721 -2.240 19034 172 1 . 1 1 37 37 SER H H 37 8.164 8.164 8.046 0.118 19034 173 1 . 1 1 38 38 LYS N N 38 119.574 119.574 120.621 -1.047 19034 174 1 . 1 1 38 38 LYS HA H 38 3.804 3.804 3.999 -0.195 19034 175 1 . 1 1 38 38 LYS CA C 38 55.490 55.490 58.450 -2.960 19034 176 1 . 1 1 38 38 LYS CB C 38 29.371 29.371 32.289 -2.918 19034 177 1 . 1 1 38 38 LYS H H 38 7.111 7.111 7.651 -0.540 19034 178 1 . 1 1 39 39 TYR N N 39 116.372 116.372 116.105 0.267 19034 179 1 . 1 1 39 39 TYR HA H 39 4.304 4.304 4.629 -0.325 19034 180 1 . 1 1 39 39 TYR CA C 39 55.924 55.924 57.734 -1.810 19034 181 1 . 1 1 39 39 TYR CB C 39 37.122 37.122 39.597 -2.475 19034 182 1 . 1 1 39 39 TYR H H 39 7.576 7.576 7.867 -0.291 19034 183 1 . 1 1 40 40 GLY N N 40 103.718 103.718 105.994 -2.276 19034 184 1 . 1 1 40 40 GLY CA C 40 42.186 42.186 45.257 -3.071 19034 185 1 . 1 1 40 40 GLY H H 40 7.380 7.380 7.577 -0.197 19034 186 1 . 1 1 41 41 LEU N N 41 118.877 118.877 122.535 -3.658 19034 187 1 . 1 1 41 41 LEU HA H 41 4.332 4.332 4.862 -0.530 19034 188 1 . 1 1 41 41 LEU CA C 41 53.070 53.070 53.765 -0.695 19034 189 1 . 1 1 41 41 LEU CB C 41 39.959 39.959 44.328 -4.369 19034 190 1 . 1 1 41 41 LEU H H 41 8.260 8.260 8.663 -0.403 19034 191 1 . 1 1 42 42 VAL N N 42 127.032 127.032 126.742 0.290 19034 192 1 . 1 1 42 42 VAL HA H 42 3.507 3.507 3.607 -0.100 19034 193 1 . 1 1 42 42 VAL CA C 42 59.948 59.948 62.745 -2.797 19034 194 1 . 1 1 42 42 VAL CB C 42 30.002 30.002 31.642 -1.640 19034 195 1 . 1 1 42 42 VAL H H 42 8.598 8.598 8.506 0.092 19034 196 1 . 1 1 43 43 LYS N N 43 130.977 130.977 128.640 2.337 19034 197 1 . 1 1 43 43 LYS HA H 43 4.126 4.126 4.153 -0.027 19034 198 1 . 1 1 43 43 LYS CA C 43 55.022 55.022 58.266 -3.244 19034 199 1 . 1 1 43 43 LYS CB C 43 32.093 32.093 33.392 -1.299 19034 200 1 . 1 1 43 43 LYS H H 43 9.307 9.307 8.748 0.559 19034 201 1 . 1 1 44 44 SER N N 44 110.453 110.453 109.349 1.104 19034 202 1 . 1 1 44 44 SER HA H 44 4.492 4.492 4.687 -0.195 19034 203 1 . 1 1 44 44 SER CA C 44 55.890 55.890 57.557 -1.667 19034 204 1 . 1 1 44 44 SER CB C 44 62.940 62.940 65.786 -2.846 19034 205 1 . 1 1 44 44 SER H H 44 7.938 7.938 7.628 0.310 19034 206 1 . 1 1 45 45 ILE N N 45 118.542 118.542 120.446 -1.904 19034 207 1 . 1 1 45 45 ILE HA H 45 5.050 5.050 4.832 0.218 19034 208 1 . 1 1 45 45 ILE CA C 45 57.531 57.531 60.642 -3.111 19034 209 1 . 1 1 45 45 ILE CB C 45 40.320 40.320 41.383 -1.063 19034 210 1 . 1 1 45 45 ILE H H 45 8.136 8.136 8.413 -0.277 19034 211 1 . 1 1 46 46 GLU N N 46 125.456 125.456 126.497 -1.041 19034 212 1 . 1 1 46 46 GLU HA H 46 4.700 4.700 4.698 0.002 19034 213 1 . 1 1 46 46 GLU CA C 46 52.467 52.467 55.010 -2.543 19034 214 1 . 1 1 46 46 GLU CB C 46 30.763 30.763 31.932 -1.169 19034 215 1 . 1 1 46 46 GLU H H 46 9.364 9.364 9.208 0.156 19034 216 1 . 1 1 47 47 ILE N N 47 122.471 122.471 126.883 -4.412 19034 217 1 . 1 1 47 47 ILE HA H 47 4.705 4.705 4.635 0.070 19034 218 1 . 1 1 47 47 ILE CA C 47 56.335 56.335 58.353 -2.018 19034 219 1 . 1 1 47 47 ILE CB C 47 36.788 36.788 38.914 -2.126 19034 220 1 . 1 1 47 47 ILE H H 47 8.672 8.672 8.473 0.199 19034 221 1 . 1 1 48 48 PRO CB C 48 29.876 29.876 32.080 -2.203 19034 222 1 . 1 1 49 49 ARG N N 49 120.907 120.907 121.799 -0.892 19034 223 1 . 1 1 49 49 ARG HA H 49 4.707 4.707 4.664 0.043 19034 224 1 . 1 1 49 49 ARG CB C 49 29.928 29.928 30.158 -0.229 19034 225 1 . 1 1 49 49 ARG H H 49 7.944 7.944 8.265 -0.321 19034 226 1 . 1 1 50 50 PRO HA H 50 4.392 4.392 4.417 -0.025 19034 227 1 . 1 1 50 50 PRO CA C 50 60.628 60.628 62.682 -2.054 19034 228 1 . 1 1 50 50 PRO CB C 50 29.626 29.626 32.436 -2.810 19034 229 1 . 1 1 51 51 VAL N N 51 121.425 121.425 121.845 -0.420 19034 230 1 . 1 1 51 51 VAL HA H 51 3.987 3.987 4.129 -0.142 19034 231 1 . 1 1 51 51 VAL CA C 51 58.857 58.857 61.494 -2.637 19034 232 1 . 1 1 51 51 VAL CB C 51 32.238 32.238 32.312 -0.074 19034 233 1 . 1 1 51 51 VAL H H 51 7.992 7.992 8.351 -0.359 19034 234 1 . 1 1 52 52 ASP N N 52 127.160 127.160 128.172 -1.012 19034 235 1 . 1 1 52 52 ASP HA H 52 4.237 4.237 4.337 -0.100 19034 236 1 . 1 1 52 52 ASP CA C 52 53.288 53.288 55.035 -1.747 19034 237 1 . 1 1 52 52 ASP CB C 52 37.950 37.950 40.081 -2.131 19034 238 1 . 1 1 52 52 ASP H H 52 8.746 8.746 8.954 -0.208 19034 239 1 . 1 1 53 53 GLY N N 53 108.483 108.483 105.804 2.679 19034 240 1 . 1 1 53 53 GLY CA C 53 42.974 42.974 44.977 -2.003 19034 241 1 . 1 1 53 53 GLY H H 53 8.589 8.589 8.215 0.374 19034 242 1 . 1 1 54 54 VAL N N 54 120.874 120.874 121.906 -1.032 19034 243 1 . 1 1 54 54 VAL HA H 54 4.159 4.159 4.204 -0.045 19034 244 1 . 1 1 54 54 VAL CA C 54 58.489 58.489 61.317 -2.828 19034 245 1 . 1 1 54 54 VAL CB C 54 32.033 32.033 33.142 -1.109 19034 246 1 . 1 1 54 54 VAL H H 54 7.804 7.804 7.659 0.145 19034 247 1 . 1 1 55 55 GLU N N 55 126.140 126.140 125.868 0.272 19034 248 1 . 1 1 55 55 GLU HA H 55 4.173 4.173 4.270 -0.097 19034 249 1 . 1 1 55 55 GLU CA C 55 53.696 53.696 56.384 -2.688 19034 250 1 . 1 1 55 55 GLU CB C 55 26.760 26.760 30.142 -3.382 19034 251 1 . 1 1 55 55 GLU H H 55 8.578 8.578 8.527 0.051 19034 252 1 . 1 1 56 56 VAL N N 56 124.648 124.648 118.215 6.433 19034 253 1 . 1 1 56 56 VAL HA H 56 4.355 4.355 4.553 -0.198 19034 254 1 . 1 1 56 56 VAL CA C 56 57.070 57.070 58.152 -1.082 19034 255 1 . 1 1 56 56 VAL CB C 56 29.806 29.806 33.060 -3.254 19034 256 1 . 1 1 56 56 VAL H H 56 7.661 7.661 8.140 -0.479 19034 257 1 . 1 1 57 57 PRO HA H 57 4.117 4.117 4.414 -0.297 19034 258 1 . 1 1 57 57 PRO CA C 57 61.241 61.241 63.736 -2.495 19034 259 1 . 1 1 57 57 PRO CB C 57 29.245 29.245 31.452 -2.207 19034 260 1 . 1 1 58 58 GLY N N 58 109.755 109.755 111.536 -1.781 19034 261 1 . 1 1 58 58 GLY CA C 58 42.847 42.847 45.111 -2.264 19034 262 1 . 1 1 58 58 GLY H H 58 8.577 8.577 8.479 0.098 19034 263 1 . 1 1 59 59 CYS N N 59 118.400 118.400 120.207 -1.807 19034 264 1 . 1 1 59 59 CYS HA H 59 4.055 4.055 4.325 -0.270 19034 265 1 . 1 1 59 59 CYS CA C 59 59.324 59.324 60.909 -1.585 19034 266 1 . 1 1 59 59 CYS CB C 59 24.178 24.178 28.328 -4.150 19034 267 1 . 1 1 59 59 CYS H H 59 7.631 7.631 7.730 -0.099 19034 268 1 . 1 1 60 60 GLY N N 60 119.002 119.002 113.901 5.101 19034 269 1 . 1 1 60 60 GLY CA C 60 42.139 42.139 45.602 -3.463 19034 270 1 . 1 1 60 60 GLY H H 60 10.447 10.447 8.821 1.626 19034 271 1 . 1 1 61 61 LYS N N 61 122.250 122.250 119.915 2.335 19034 272 1 . 1 1 61 61 LYS HA H 61 4.331 4.331 4.629 -0.298 19034 273 1 . 1 1 61 61 LYS CA C 61 52.944 52.944 55.105 -2.161 19034 274 1 . 1 1 61 61 LYS CB C 61 33.173 33.173 33.900 -0.727 19034 275 1 . 1 1 61 61 LYS H H 61 8.233 8.233 7.241 0.992 19034 276 1 . 1 1 62 62 ILE N N 62 118.312 118.312 119.767 -1.455 19034 277 1 . 1 1 62 62 ILE HA H 62 4.296 4.296 4.582 -0.286 19034 278 1 . 1 1 62 62 ILE CA C 62 57.386 57.386 59.529 -2.143 19034 279 1 . 1 1 62 62 ILE CB C 62 39.003 39.003 41.481 -2.478 19034 280 1 . 1 1 62 62 ILE H H 62 7.272 7.272 8.058 -0.786 19034 281 1 . 1 1 63 63 PHE N N 63 125.445 125.445 123.632 1.813 19034 282 1 . 1 1 63 63 PHE HA H 63 5.300 5.300 5.423 -0.123 19034 283 1 . 1 1 63 63 PHE CA C 63 53.494 53.494 56.266 -2.772 19034 284 1 . 1 1 63 63 PHE CB C 63 39.791 39.791 41.753 -1.962 19034 285 1 . 1 1 63 63 PHE H H 63 8.876 8.876 8.689 0.187 19034 286 1 . 1 1 64 64 VAL N N 64 122.504 122.504 120.772 1.732 19034 287 1 . 1 1 64 64 VAL HA H 64 4.320 4.320 4.870 -0.550 19034 288 1 . 1 1 64 64 VAL CA C 64 58.528 58.528 60.370 -1.842 19034 289 1 . 1 1 64 64 VAL CB C 64 32.571 32.571 35.407 -2.836 19034 290 1 . 1 1 64 64 VAL H H 64 9.161 9.161 9.032 0.129 19034 291 1 . 1 1 65 65 GLU N N 65 127.687 127.687 125.372 2.315 19034 292 1 . 1 1 65 65 GLU HA H 65 4.677 4.677 4.801 -0.124 19034 293 1 . 1 1 65 65 GLU CA C 65 51.445 51.445 54.435 -2.990 19034 294 1 . 1 1 65 65 GLU CB C 65 28.559 28.559 32.865 -4.306 19034 295 1 . 1 1 65 65 GLU H H 65 8.601 8.601 8.589 0.012 19034 296 1 . 1 1 66 66 PHE N N 66 126.672 126.672 122.840 3.832 19034 297 1 . 1 1 66 66 PHE HA H 66 5.093 5.093 5.382 -0.289 19034 298 1 . 1 1 66 66 PHE CA C 66 55.185 55.185 56.520 -1.335 19034 299 1 . 1 1 66 66 PHE CB C 66 39.141 39.141 42.350 -3.209 19034 300 1 . 1 1 66 66 PHE H H 66 9.352 9.352 8.858 0.494 19034 301 1 . 1 1 67 67 THR N N 67 109.616 109.616 113.280 -3.664 19034 302 1 . 1 1 67 67 THR HA H 67 4.248 4.248 4.352 -0.104 19034 303 1 . 1 1 67 67 THR CA C 67 60.963 60.963 63.102 -2.139 19034 304 1 . 1 1 67 67 THR CB C 67 66.974 66.974 69.396 -2.422 19034 305 1 . 1 1 67 67 THR H H 67 9.072 9.072 8.671 0.401 19034 306 1 . 1 1 68 68 SER N N 68 111.776 111.776 113.984 -2.208 19034 307 1 . 1 1 68 68 SER HA H 68 4.922 4.922 4.894 0.028 19034 308 1 . 1 1 68 68 SER CA C 68 53.411 53.411 57.161 -3.750 19034 309 1 . 1 1 68 68 SER CB C 68 63.507 63.507 65.799 -2.292 19034 310 1 . 1 1 68 68 SER H H 68 7.511 7.511 7.732 -0.221 19034 311 1 . 1 1 69 69 VAL N N 69 123.476 123.476 123.056 0.420 19034 312 1 . 1 1 69 69 VAL HA H 69 3.405 3.405 3.877 -0.472 19034 313 1 . 1 1 69 69 VAL CA C 69 62.588 62.588 65.548 -2.960 19034 314 1 . 1 1 69 69 VAL CB C 69 28.878 28.878 31.760 -2.883 19034 315 1 . 1 1 69 69 VAL H H 69 8.854 8.854 8.932 -0.078 19034 316 1 . 1 1 70 70 PHE N N 70 119.530 119.530 117.875 1.655 19034 317 1 . 1 1 70 70 PHE HA H 70 4.229 4.229 4.262 -0.033 19034 318 1 . 1 1 70 70 PHE CA C 70 57.902 57.902 61.480 -3.578 19034 319 1 . 1 1 70 70 PHE CB C 70 36.263 36.263 38.601 -2.338 19034 320 1 . 1 1 70 70 PHE H H 70 7.673 7.673 8.147 -0.474 19034 321 1 . 1 1 71 71 ASP N N 71 120.024 120.024 119.517 0.507 19034 322 1 . 1 1 71 71 ASP HA H 71 4.176 4.176 4.568 -0.392 19034 323 1 . 1 1 71 71 ASP CA C 71 54.306 54.306 56.913 -2.607 19034 324 1 . 1 1 71 71 ASP CB C 71 37.867 37.867 40.907 -3.040 19034 325 1 . 1 1 71 71 ASP H H 71 7.585 7.585 8.099 -0.514 19034 326 1 . 1 1 72 72 CYS N N 72 119.689 119.689 118.742 0.947 19034 327 1 . 1 1 72 72 CYS HA H 72 2.796 2.796 2.926 -0.130 19034 328 1 . 1 1 72 72 CYS CA C 72 57.147 57.147 62.195 -5.048 19034 329 1 . 1 1 72 72 CYS CB C 72 25.349 25.349 27.221 -1.872 19034 330 1 . 1 1 72 72 CYS H H 72 7.087 7.087 7.619 -0.532 19034 331 1 . 1 1 73 73 GLN N N 73 117.350 117.350 118.771 -1.421 19034 332 1 . 1 1 73 73 GLN HA H 73 4.406 4.406 4.065 0.341 19034 333 1 . 1 1 73 73 GLN CA C 73 56.361 56.361 58.793 -2.432 19034 334 1 . 1 1 73 73 GLN CB C 73 26.883 26.883 28.477 -1.594 19034 335 1 . 1 1 73 73 GLN H H 73 8.478 8.478 8.122 0.356 19034 336 1 . 1 1 74 74 LYS N N 74 119.692 119.692 119.109 0.583 19034 337 1 . 1 1 74 74 LYS HA H 74 3.774 3.774 4.173 -0.399 19034 338 1 . 1 1 74 74 LYS CA C 74 56.827 56.827 58.699 -1.872 19034 339 1 . 1 1 74 74 LYS CB C 74 29.502 29.502 32.556 -3.054 19034 340 1 . 1 1 74 74 LYS H H 74 7.468 7.468 7.597 -0.129 19034 341 1 . 1 1 75 75 ALA N N 75 124.287 124.287 122.791 1.496 19034 342 1 . 1 1 75 75 ALA HA H 75 2.595 2.595 3.573 -0.978 19034 343 1 . 1 1 75 75 ALA CA C 75 51.696 51.696 54.891 -3.195 19034 344 1 . 1 1 75 75 ALA CB C 75 17.091 17.091 18.211 -1.120 19034 345 1 . 1 1 75 75 ALA H H 75 7.549 7.549 7.757 -0.208 19034 346 1 . 1 1 76 76 MET N N 76 118.919 118.919 118.167 0.752 19034 347 1 . 1 1 76 76 MET HA H 76 3.490 3.490 3.819 -0.329 19034 348 1 . 1 1 76 76 MET CA C 76 56.956 56.956 58.761 -1.805 19034 349 1 . 1 1 76 76 MET CB C 76 28.966 28.966 32.054 -3.088 19034 350 1 . 1 1 76 76 MET H H 76 8.700 8.700 8.264 0.436 19034 351 1 . 1 1 77 77 GLN N N 77 118.282 118.282 117.191 1.091 19034 352 1 . 1 1 77 77 GLN HA H 77 3.856 3.856 4.154 -0.298 19034 353 1 . 1 1 77 77 GLN CA C 77 55.700 55.700 57.781 -2.081 19034 354 1 . 1 1 77 77 GLN CB C 77 25.781 25.781 28.627 -2.846 19034 355 1 . 1 1 77 77 GLN H H 77 7.798 7.798 7.912 -0.114 19034 356 1 . 1 1 78 78 GLY N N 78 106.137 106.137 107.479 -1.342 19034 357 1 . 1 1 78 78 GLY CA C 78 43.748 43.748 46.521 -2.772 19034 358 1 . 1 1 78 78 GLY H H 78 7.797 7.797 7.940 -0.143 19034 359 1 . 1 1 79 79 LEU N N 79 118.753 118.753 117.893 0.860 19034 360 1 . 1 1 79 79 LEU HA H 79 4.190 4.190 4.552 -0.361 19034 361 1 . 1 1 79 79 LEU CA C 79 53.263 53.263 53.445 -0.182 19034 362 1 . 1 1 79 79 LEU CB C 79 40.914 40.914 42.551 -1.637 19034 363 1 . 1 1 79 79 LEU H H 79 8.039 8.039 7.526 0.513 19034 364 1 . 1 1 80 80 THR N N 80 114.360 114.360 117.296 -2.936 19034 365 1 . 1 1 80 80 THR HA H 80 3.550 3.550 3.972 -0.422 19034 366 1 . 1 1 80 80 THR CA C 80 63.539 63.539 65.037 -1.498 19034 367 1 . 1 1 80 80 THR CB C 80 66.102 66.102 68.439 -2.337 19034 368 1 . 1 1 80 80 THR H H 80 7.177 7.177 7.540 -0.363 19034 369 1 . 1 1 81 81 GLY N N 81 115.554 115.554 115.292 0.262 19034 370 1 . 1 1 81 81 GLY CA C 81 42.993 42.993 45.095 -2.103 19034 371 1 . 1 1 81 81 GLY H H 81 8.680 8.680 8.489 0.191 19034 372 1 . 1 1 82 82 ARG N N 82 120.945 120.945 121.452 -0.507 19034 373 1 . 1 1 82 82 ARG HA H 82 4.093 4.093 4.369 -0.276 19034 374 1 . 1 1 82 82 ARG CA C 82 53.446 53.446 56.151 -2.705 19034 375 1 . 1 1 82 82 ARG CB C 82 28.148 28.148 31.431 -3.283 19034 376 1 . 1 1 82 82 ARG H H 82 7.520 7.520 7.742 -0.222 19034 377 1 . 1 1 83 83 LYS N N 83 121.584 121.584 119.074 2.510 19034 378 1 . 1 1 83 83 LYS HA H 83 5.008 5.008 5.073 -0.065 19034 379 1 . 1 1 83 83 LYS CA C 83 52.722 52.722 55.437 -2.715 19034 380 1 . 1 1 83 83 LYS CB C 83 31.590 31.590 33.684 -2.094 19034 381 1 . 1 1 83 83 LYS H H 83 8.165 8.165 8.549 -0.384 19034 382 1 . 1 1 84 84 PHE N N 84 125.104 125.104 122.817 2.287 19034 383 1 . 1 1 84 84 PHE HA H 84 4.437 4.437 4.653 -0.216 19034 384 1 . 1 1 84 84 PHE CA C 84 54.773 54.773 56.982 -2.209 19034 385 1 . 1 1 84 84 PHE CB C 84 39.087 39.087 38.683 0.404 19034 386 1 . 1 1 84 84 PHE H H 84 8.656 8.656 8.999 -0.343 19034 387 1 . 1 1 85 85 ALA N N 85 127.849 127.849 120.864 6.985 19034 388 1 . 1 1 85 85 ALA HA H 85 3.768 3.768 4.260 -0.492 19034 389 1 . 1 1 85 85 ALA CA C 85 51.048 51.048 52.833 -1.785 19034 390 1 . 1 1 85 85 ALA CB C 85 14.121 14.121 19.560 -5.439 19034 391 1 . 1 1 85 85 ALA H H 85 8.831 8.831 7.816 1.015 19034 392 1 . 1 1 86 86 ASN N N 86 113.065 113.065 116.233 -3.168 19034 393 1 . 1 1 86 86 ASN HA H 86 4.359 4.359 4.793 -0.434 19034 394 1 . 1 1 86 86 ASN CA C 86 51.409 51.409 53.563 -2.154 19034 395 1 . 1 1 86 86 ASN CB C 86 35.722 35.722 40.261 -4.539 19034 396 1 . 1 1 86 86 ASN H H 86 8.406 8.406 8.600 -0.194 19034 397 1 . 1 1 87 87 ARG N N 87 121.167 121.167 119.953 1.214 19034 398 1 . 1 1 87 87 ARG HA H 87 4.521 4.521 4.603 -0.082 19034 399 1 . 1 1 87 87 ARG CA C 87 52.786 52.786 54.797 -2.011 19034 400 1 . 1 1 87 87 ARG CB C 87 29.880 29.880 32.238 -2.358 19034 401 1 . 1 1 87 87 ARG H H 87 8.250 8.250 8.041 0.209 19034 402 1 . 1 1 88 88 VAL N N 88 121.437 121.437 121.194 0.243 19034 403 1 . 1 1 88 88 VAL HA H 88 4.274 4.274 4.240 0.034 19034 404 1 . 1 1 88 88 VAL CA C 88 59.281 59.281 62.425 -3.144 19034 405 1 . 1 1 88 88 VAL CB C 88 30.290 30.290 32.149 -1.859 19034 406 1 . 1 1 88 88 VAL H H 88 8.279 8.279 8.355 -0.076 19034 407 1 . 1 1 89 89 VAL N N 89 127.754 127.754 127.609 0.145 19034 408 1 . 1 1 89 89 VAL HA H 89 4.112 4.112 4.223 -0.111 19034 409 1 . 1 1 89 89 VAL CA C 89 61.131 61.131 61.455 -0.324 19034 410 1 . 1 1 89 89 VAL CB C 89 30.108 30.108 32.876 -2.768 19034 411 1 . 1 1 89 89 VAL H H 89 8.601 8.601 8.587 0.014 19034 412 1 . 1 1 90 90 VAL N N 90 127.874 127.874 124.850 3.024 19034 413 1 . 1 1 90 90 VAL HA H 90 4.321 4.321 4.351 -0.030 19034 414 1 . 1 1 90 90 VAL CA C 90 58.489 58.489 60.467 -1.978 19034 415 1 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.594 -1.248 19034 416 1 . 1 1 90 90 VAL H H 90 7.866 7.866 8.007 -0.141 19034 417 1 . 1 1 91 91 THR N N 91 114.187 114.187 117.142 -2.955 19034 418 1 . 1 1 91 91 THR HA H 91 5.528 5.528 4.977 0.551 19034 419 1 . 1 1 91 91 THR CA C 91 56.193 56.193 60.163 -3.970 19034 420 1 . 1 1 91 91 THR CB C 91 69.553 69.553 70.534 -0.981 19034 421 1 . 1 1 91 91 THR H H 91 8.119 8.119 8.164 -0.045 19034 422 1 . 1 1 92 92 LYS N N 92 116.111 116.111 121.712 -5.601 19034 423 1 . 1 1 92 92 LYS HA H 92 4.346 4.346 4.472 -0.126 19034 424 1 . 1 1 92 92 LYS CA C 92 52.654 52.654 54.935 -2.281 19034 425 1 . 1 1 92 92 LYS CB C 92 33.887 33.887 36.698 -2.810 19034 426 1 . 1 1 92 92 LYS H H 92 8.199 8.199 8.376 -0.177 19034 427 1 . 1 1 93 93 TYR N N 93 121.017 121.017 119.951 1.066 19034 428 1 . 1 1 93 93 TYR HA H 93 4.960 4.960 4.584 0.376 19034 429 1 . 1 1 93 93 TYR CA C 93 56.410 56.410 59.211 -2.801 19034 430 1 . 1 1 93 93 TYR CB C 93 36.540 36.540 38.939 -2.399 19034 431 1 . 1 1 93 93 TYR H H 93 8.450 8.450 8.412 0.038 19034 432 1 . 1 1 94 94 CYS N N 94 119.566 119.566 119.850 -0.284 19034 433 1 . 1 1 94 94 CYS HA H 94 4.812 4.812 4.813 -0.001 19034 434 1 . 1 1 94 94 CYS CA C 94 54.001 54.001 57.277 -3.276 19034 435 1 . 1 1 94 94 CYS CB C 94 27.586 27.586 31.100 -3.514 19034 436 1 . 1 1 94 94 CYS H H 94 8.614 8.614 8.647 -0.033 19034 437 1 . 1 1 95 95 ASP N N 95 128.707 128.707 120.670 8.037 19034 438 1 . 1 1 95 95 ASP HA H 95 4.837 4.837 5.015 -0.178 19034 439 1 . 1 1 95 95 ASP CA C 95 50.010 50.010 52.473 -2.463 19034 440 1 . 1 1 95 95 ASP CB C 95 39.716 39.716 42.512 -2.796 19034 441 1 . 1 1 95 95 ASP H H 95 8.969 8.969 8.767 0.202 19034 442 1 . 1 1 96 96 PRO CB C 96 29.735 29.735 32.346 -2.611 19034 443 1 . 1 1 97 97 ASP N N 97 118.102 118.102 118.652 -0.550 19034 444 1 . 1 1 97 97 ASP HA H 97 4.429 4.429 4.514 -0.085 19034 445 1 . 1 1 97 97 ASP CA C 97 55.041 55.041 57.517 -2.476 19034 446 1 . 1 1 97 97 ASP CB C 97 37.759 37.759 40.590 -2.831 19034 447 1 . 1 1 97 97 ASP H H 97 8.189 8.189 8.679 -0.490 19034 448 1 . 1 1 98 98 SER N N 98 116.394 116.394 113.102 3.292 19034 449 1 . 1 1 98 98 SER HA H 98 3.961 3.961 4.259 -0.298 19034 450 1 . 1 1 98 98 SER CA C 98 59.519 59.519 60.145 -0.626 19034 451 1 . 1 1 98 98 SER H H 98 7.792 7.792 8.192 -0.400 19034 452 1 . 1 1 99 99 TYR N N 99 121.890 121.890 123.352 -1.462 19034 453 1 . 1 1 99 99 TYR HA H 99 3.742 3.742 4.274 -0.532 19034 454 1 . 1 1 99 99 TYR CA C 99 58.797 58.797 60.773 -1.976 19034 455 1 . 1 1 99 99 TYR CB C 99 36.175 36.175 39.046 -2.871 19034 456 1 . 1 1 99 99 TYR H H 99 7.625 7.625 7.466 0.159 19034 457 1 . 1 1 100 100 HIS N N 100 118.065 118.065 116.064 2.001 19034 458 1 . 1 1 100 100 HIS HA H 100 4.130 4.130 4.445 -0.315 19034 459 1 . 1 1 100 100 HIS CA C 100 55.608 55.608 58.177 -2.569 19034 460 1 . 1 1 100 100 HIS CB C 100 25.794 25.794 30.082 -4.288 19034 461 1 . 1 1 100 100 HIS H H 100 8.425 8.425 7.889 0.536 19034 462 1 . 1 1 101 101 ARG N N 101 116.756 116.756 118.558 -1.802 19034 463 1 . 1 1 101 101 ARG HA H 101 4.101 4.101 4.535 -0.434 19034 464 1 . 1 1 101 101 ARG CA C 101 53.641 53.641 54.482 -0.841 19034 465 1 . 1 1 101 101 ARG CB C 101 28.109 28.109 31.782 -3.673 19034 466 1 . 1 1 101 101 ARG H H 101 7.406 7.406 7.553 -0.147 19034 467 1 . 1 1 102 102 ARG N N 102 115.254 115.254 120.176 -4.922 19034 468 1 . 1 1 102 102 ARG HA H 102 2.300 2.300 3.377 -1.077 19034 469 1 . 1 1 102 102 ARG CA C 102 53.586 53.586 54.992 -1.406 19034 470 1 . 1 1 102 102 ARG CB C 102 25.084 25.084 29.375 -4.291 19034 471 1 . 1 1 102 102 ARG H H 102 7.297 7.297 8.423 -1.126 19034 472 1 . 1 1 103 103 ASP N N 103 119.588 119.588 121.141 -1.553 19034 473 1 . 1 1 103 103 ASP HA H 103 4.346 4.346 4.447 -0.100 19034 474 1 . 1 1 103 103 ASP CA C 103 49.581 49.581 53.335 -3.754 19034 475 1 . 1 1 103 103 ASP CB C 103 37.749 37.749 40.389 -2.640 19034 476 1 . 1 1 103 103 ASP H H 103 7.467 7.467 7.309 0.158 19034 477 1 . 1 1 104 104 PHE N N 104 120.438 120.438 120.089 0.349 19034 478 1 . 1 1 104 104 PHE HA H 104 4.340 4.340 4.614 -0.274 19034 479 1 . 1 1 104 104 PHE CA C 104 52.701 52.701 57.492 -4.791 19034 480 1 . 1 1 104 104 PHE CB C 104 36.842 36.842 39.480 -2.638 19034 481 1 . 1 1 104 104 PHE H H 104 7.138 7.138 7.256 -0.118 19034 stop_ save_