data_18374 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18374 _Entry.PDB_ID 2LRI 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 18374 _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 ALA N N 2 123.688 123.688 122.100 1.588 18374 2 1 1 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.580 -0.282 18374 3 1 1 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.416 0.294 18374 4 1 1 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.831 -0.596 18374 5 1 1 . 1 1 2 2 ALA H H 2 8.653 8.653 8.328 0.325 18374 6 1 1 . 1 1 3 3 MET N N 3 119.289 119.289 119.236 0.053 18374 7 1 1 . 1 1 3 3 MET HA H 3 4.426 4.426 4.663 -0.237 18374 8 1 1 . 1 1 3 3 MET CA C 3 55.430 55.430 55.669 -0.239 18374 9 1 1 . 1 1 3 3 MET CB C 3 32.532 32.532 33.293 -0.761 18374 10 1 1 . 1 1 3 3 MET H H 3 8.545 8.545 7.852 0.693 18374 11 1 1 . 1 1 4 4 GLU N N 4 122.149 122.149 120.369 1.780 18374 12 1 1 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.360 -0.116 18374 13 1 1 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.497 -0.466 18374 14 1 1 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.461 0.545 18374 15 1 1 . 1 1 4 4 GLU H H 4 8.440 8.440 8.615 -0.175 18374 16 1 1 . 1 1 5 5 GLY N N 5 110.051 110.051 107.426 2.625 18374 17 1 1 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.565 0.843 18374 18 1 1 . 1 1 5 5 GLY H H 5 8.500 8.500 8.287 0.213 18374 19 1 1 . 1 1 6 6 GLN N N 6 119.509 119.509 119.898 -0.389 18374 20 1 1 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.065 0.221 18374 21 1 1 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.885 -1.885 18374 22 1 1 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.538 0.670 18374 23 1 1 . 1 1 6 6 GLN H H 6 8.242 8.242 7.596 0.646 18374 24 1 1 . 1 1 7 7 GLN N N 7 121.049 121.049 119.356 1.693 18374 25 1 1 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.437 -0.176 18374 26 1 1 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.010 1.094 18374 27 1 1 . 1 1 7 7 GLN CB C 7 29.204 29.204 26.917 2.287 18374 28 1 1 . 1 1 7 7 GLN H H 7 8.534 8.534 8.458 0.076 18374 29 1 1 . 1 1 8 8 ASN N N 8 119.289 119.289 116.932 2.357 18374 30 1 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.681 -0.036 18374 31 1 1 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.057 0.050 18374 32 1 1 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.730 -0.211 18374 33 1 1 . 1 1 8 8 ASN H H 8 8.486 8.486 7.865 0.621 18374 34 1 1 . 1 1 9 9 LEU N N 9 122.204 122.204 121.304 0.900 18374 35 1 1 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.460 -0.169 18374 36 1 1 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.318 1.398 18374 37 1 1 . 1 1 9 9 LEU CB C 9 42.397 42.397 39.565 2.832 18374 38 1 1 . 1 1 9 9 LEU H H 9 8.145 8.145 7.831 0.314 18374 39 1 1 . 1 1 10 10 ALA N N 10 126.188 126.188 129.223 -3.035 18374 40 1 1 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.366 0.166 18374 41 1 1 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.421 -0.084 18374 42 1 1 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.555 -0.762 18374 43 1 1 . 1 1 10 10 ALA H H 10 8.324 8.324 8.036 0.288 18374 44 1 1 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.231 0.133 18374 45 1 1 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.113 -0.205 18374 46 1 1 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.465 1.404 18374 47 1 1 . 1 1 12 12 GLY N N 12 108.951 108.951 112.995 -4.044 18374 48 1 1 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.944 0.277 18374 49 1 1 . 1 1 12 12 GLY H H 12 8.501 8.501 8.795 -0.294 18374 50 1 1 . 1 1 13 13 ALA N N 13 123.134 123.134 122.797 0.337 18374 51 1 1 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.693 -0.459 18374 52 1 1 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.804 0.305 18374 53 1 1 . 1 1 13 13 ALA CB C 13 19.525 19.525 20.290 -0.765 18374 54 1 1 . 1 1 13 13 ALA H H 13 7.957 7.957 7.712 0.245 18374 55 1 1 . 1 1 14 14 ARG N N 14 116.759 116.759 121.537 -4.778 18374 56 1 1 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.567 -0.448 18374 57 1 1 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.529 -0.718 18374 58 1 1 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.435 -1.982 18374 59 1 1 . 1 1 14 14 ARG H H 14 7.990 7.990 8.210 -0.220 18374 60 1 1 . 1 1 15 15 CYS N N 15 123.688 123.688 122.314 1.374 18374 61 1 1 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.610 -0.593 18374 62 1 1 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.187 -0.077 18374 63 1 1 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.563 4.494 18374 64 1 1 . 1 1 15 15 CYS H H 15 7.646 7.646 8.405 -0.759 18374 65 1 1 . 1 1 16 16 GLY N N 16 117.749 117.749 116.693 1.056 18374 66 1 1 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.115 -0.330 18374 67 1 1 . 1 1 16 16 GLY H H 16 8.916 8.916 9.071 -0.155 18374 68 1 1 . 1 1 17 17 VAL N N 17 122.602 122.602 120.122 2.480 18374 69 1 1 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.908 0.106 18374 70 1 1 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.522 0.509 18374 71 1 1 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.314 0.526 18374 72 1 1 . 1 1 17 17 VAL H H 17 8.856 8.856 7.895 0.961 18374 73 1 1 . 1 1 18 18 CYS N N 18 115.430 115.430 117.146 -1.716 18374 74 1 1 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.731 0.195 18374 75 1 1 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.585 -1.406 18374 76 1 1 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.387 1.224 18374 77 1 1 . 1 1 18 18 CYS H H 18 7.758 7.758 8.079 -0.321 18374 78 1 1 . 1 1 19 19 GLY N N 19 113.040 113.040 108.741 4.299 18374 79 1 1 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.491 0.866 18374 80 1 1 . 1 1 19 19 GLY H H 19 8.029 8.029 8.876 -0.847 18374 81 1 1 . 1 1 20 20 ASP N N 20 123.399 123.399 121.113 2.286 18374 82 1 1 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.856 0.151 18374 83 1 1 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.269 -0.755 18374 84 1 1 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.489 1.052 18374 85 1 1 . 1 1 20 20 ASP H H 20 8.722 8.722 7.931 0.791 18374 86 1 1 . 1 1 21 21 GLY N N 21 111.371 111.371 107.310 4.061 18374 87 1 1 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.083 0.024 18374 88 1 1 . 1 1 21 21 GLY H H 21 8.667 8.667 8.564 0.103 18374 89 1 1 . 1 1 22 22 THR N N 22 118.220 118.220 119.875 -1.655 18374 90 1 1 . 1 1 22 22 THR HA H 22 3.979 3.979 4.570 -0.591 18374 91 1 1 . 1 1 22 22 THR CA C 22 64.367 64.367 63.826 0.541 18374 92 1 1 . 1 1 22 22 THR CB C 22 67.783 67.783 68.696 -0.913 18374 93 1 1 . 1 1 22 22 THR H H 22 8.784 8.784 7.765 1.019 18374 94 1 1 . 1 1 23 23 ASP N N 23 127.251 127.251 125.478 1.773 18374 95 1 1 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.158 0.143 18374 96 1 1 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.655 -0.228 18374 97 1 1 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.880 -0.841 18374 98 1 1 . 1 1 23 23 ASP H H 23 9.376 9.376 8.725 0.651 18374 99 1 1 . 1 1 24 24 VAL N N 24 111.371 111.371 118.380 -7.009 18374 100 1 1 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.386 -0.826 18374 101 1 1 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.558 0.158 18374 102 1 1 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.746 -1.454 18374 103 1 1 . 1 1 24 24 VAL H H 24 7.402 7.402 7.541 -0.139 18374 104 1 1 . 1 1 25 25 LEU N N 25 123.908 123.908 128.775 -4.867 18374 105 1 1 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.413 -0.074 18374 106 1 1 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.487 -1.965 18374 107 1 1 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.306 0.136 18374 108 1 1 . 1 1 25 25 LEU H H 25 8.328 8.328 8.438 -0.110 18374 109 1 1 . 1 1 26 26 ARG N N 26 116.626 116.626 120.041 -3.415 18374 110 1 1 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.334 -0.233 18374 111 1 1 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.349 -0.694 18374 112 1 1 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.288 0.380 18374 113 1 1 . 1 1 26 26 ARG H H 26 7.877 7.877 8.078 -0.201 18374 114 1 1 . 1 1 27 27 CYS N N 27 126.328 126.328 122.214 4.114 18374 115 1 1 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.839 -0.524 18374 116 1 1 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.502 1.896 18374 117 1 1 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.973 1.694 18374 118 1 1 . 1 1 27 27 CYS H H 27 9.182 9.182 8.431 0.751 18374 119 1 1 . 1 1 28 28 THR N N 28 122.470 122.470 120.417 2.053 18374 120 1 1 . 1 1 28 28 THR HA H 28 4.166 4.166 4.350 -0.184 18374 121 1 1 . 1 1 28 28 THR CA C 28 64.686 64.686 63.926 0.759 18374 122 1 1 . 1 1 28 28 THR CB C 28 69.846 69.846 69.310 0.536 18374 123 1 1 . 1 1 28 28 THR H H 28 8.956 8.956 9.082 -0.126 18374 124 1 1 . 1 1 29 29 HIS N N 29 123.908 123.908 119.314 4.594 18374 125 1 1 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.619 0.290 18374 126 1 1 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.286 0.818 18374 127 1 1 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.799 -0.254 18374 128 1 1 . 1 1 29 29 HIS H H 29 9.464 9.464 8.577 0.887 18374 129 1 1 . 1 1 30 30 CYS N N 30 119.946 119.946 114.909 5.037 18374 130 1 1 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.891 -0.080 18374 131 1 1 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.076 3.014 18374 132 1 1 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.956 1.942 18374 133 1 1 . 1 1 30 30 CYS H H 30 8.710 8.710 7.755 0.955 18374 134 1 1 . 1 1 31 31 ALA N N 31 120.477 120.477 124.351 -3.874 18374 135 1 1 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.603 -0.319 18374 136 1 1 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.816 2.674 18374 137 1 1 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.002 -1.583 18374 138 1 1 . 1 1 31 31 ALA H H 31 7.626 7.626 8.491 -0.865 18374 139 1 1 . 1 1 32 32 ALA N N 32 125.524 125.524 125.141 0.383 18374 140 1 1 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.602 -0.356 18374 141 1 1 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.275 1.565 18374 142 1 1 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.026 -1.692 18374 143 1 1 . 1 1 32 32 ALA H H 32 9.152 9.152 8.377 0.775 18374 144 1 1 . 1 1 33 33 ALA N N 33 123.257 123.257 123.850 -0.593 18374 145 1 1 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.692 -0.282 18374 146 1 1 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.680 -0.874 18374 147 1 1 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.608 -0.980 18374 148 1 1 . 1 1 33 33 ALA H H 33 8.490 8.490 8.569 -0.080 18374 149 1 1 . 1 1 34 34 PHE N N 34 118.220 118.220 120.632 -2.412 18374 150 1 1 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.748 0.326 18374 151 1 1 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.506 -0.744 18374 152 1 1 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.929 -1.708 18374 153 1 1 . 1 1 34 34 PHE H H 34 8.948 8.948 8.526 0.422 18374 154 1 1 . 1 1 35 35 HIS N N 35 116.759 116.759 121.432 -4.673 18374 155 1 1 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.832 0.054 18374 156 1 1 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.652 1.486 18374 157 1 1 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.406 0.617 18374 158 1 1 . 1 1 35 35 HIS H H 35 7.932 7.932 8.121 -0.189 18374 159 1 1 . 1 1 36 36 TRP N N 36 127.649 127.649 126.800 0.849 18374 160 1 1 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.620 -0.182 18374 161 1 1 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.211 0.163 18374 162 1 1 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.727 -0.403 18374 163 1 1 . 1 1 36 36 TRP H H 36 9.421 9.421 9.114 0.307 18374 164 1 1 . 1 1 37 37 ARG N N 37 113.040 113.040 116.744 -3.704 18374 165 1 1 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.311 0.093 18374 166 1 1 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.964 -1.491 18374 167 1 1 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.782 -0.615 18374 168 1 1 . 1 1 37 37 ARG H H 37 9.075 9.075 8.699 0.376 18374 169 1 1 . 1 1 38 38 CYS N N 38 116.493 116.493 115.125 1.368 18374 170 1 1 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.485 -0.267 18374 171 1 1 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.557 1.902 18374 172 1 1 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.652 3.023 18374 173 1 1 . 1 1 38 38 CYS H H 38 7.169 7.169 8.021 -0.852 18374 174 1 1 . 1 1 39 39 HIS N N 39 118.220 118.220 117.080 1.140 18374 175 1 1 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.442 -0.219 18374 176 1 1 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.891 0.585 18374 177 1 1 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.768 3.571 18374 178 1 1 . 1 1 39 39 HIS H H 39 7.562 7.562 7.725 -0.163 18374 179 1 1 . 1 1 40 40 PHE N N 40 117.157 117.157 116.985 0.172 18374 180 1 1 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.813 -0.030 18374 181 1 1 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.474 -2.815 18374 182 1 1 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.685 0.122 18374 183 1 1 . 1 1 40 40 PHE H H 40 8.282 8.282 8.626 -0.344 18374 184 1 1 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.564 -0.077 18374 185 1 1 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.428 0.791 18374 186 1 1 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.605 0.610 18374 187 1 1 . 1 1 42 42 ALA N N 42 123.001 123.001 120.740 2.261 18374 188 1 1 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.436 -0.078 18374 189 1 1 . 1 1 42 42 ALA CA C 42 53.013 53.013 52.296 0.717 18374 190 1 1 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.828 -0.187 18374 191 1 1 . 1 1 42 42 ALA H H 42 8.635 8.635 8.236 0.399 18374 192 1 1 . 1 1 43 43 GLY N N 43 108.291 108.291 107.716 0.575 18374 193 1 1 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.917 0.549 18374 194 1 1 . 1 1 43 43 GLY H H 43 8.529 8.529 8.238 0.291 18374 195 1 1 . 1 1 44 44 THR N N 44 113.961 113.961 117.345 -3.384 18374 196 1 1 . 1 1 44 44 THR HA H 44 4.424 4.424 4.504 -0.080 18374 197 1 1 . 1 1 44 44 THR CA C 44 62.074 62.074 62.968 -0.893 18374 198 1 1 . 1 1 44 44 THR CB C 44 70.259 70.259 69.702 0.557 18374 199 1 1 . 1 1 44 44 THR H H 44 7.971 7.971 8.048 -0.077 18374 200 1 1 . 1 1 45 45 SER N N 45 120.467 120.467 118.985 1.482 18374 201 1 1 . 1 1 45 45 SER HA H 45 4.280 4.280 4.605 -0.325 18374 202 1 1 . 1 1 45 45 SER CA C 45 58.274 58.274 57.429 0.845 18374 203 1 1 . 1 1 45 45 SER CB C 45 63.906 63.906 64.201 -0.296 18374 204 1 1 . 1 1 45 45 SER H H 45 8.644 8.644 8.532 0.112 18374 205 1 1 . 1 1 46 46 ARG N N 46 124.196 124.196 125.313 -1.117 18374 206 1 1 . 1 1 46 46 ARG HA H 46 3.920 3.920 2.963 0.957 18374 207 1 1 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.367 -0.215 18374 208 1 1 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.321 0.581 18374 209 1 1 . 1 1 46 46 ARG H H 46 8.197 8.197 8.198 -0.001 18374 210 1 1 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.421 -0.123 18374 211 1 1 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.163 0.655 18374 212 1 1 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.810 -0.625 18374 213 1 1 . 1 1 48 48 GLY N N 48 108.071 108.071 109.604 -1.533 18374 214 1 1 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.760 -0.081 18374 215 1 1 . 1 1 48 48 GLY H H 48 8.492 8.492 8.597 -0.105 18374 216 1 1 . 1 1 49 49 THR N N 49 111.151 111.151 114.783 -3.632 18374 217 1 1 . 1 1 49 49 THR HA H 49 4.377 4.377 4.349 0.028 18374 218 1 1 . 1 1 49 49 THR CA C 49 60.690 60.690 60.414 0.276 18374 219 1 1 . 1 1 49 49 THR CB C 49 70.332 70.332 67.042 3.290 18374 220 1 1 . 1 1 49 49 THR H H 49 7.669 7.669 7.599 0.070 18374 221 1 1 . 1 1 50 50 GLY N N 50 110.491 110.491 113.363 -2.872 18374 222 1 1 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.664 1.517 18374 223 1 1 . 1 1 50 50 GLY H H 50 8.459 8.459 7.727 0.732 18374 224 1 1 . 1 1 51 51 LEU N N 51 121.407 121.407 123.010 -1.603 18374 225 1 1 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.282 -0.000 18374 226 1 1 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.598 0.770 18374 227 1 1 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.283 0.536 18374 228 1 1 . 1 1 51 51 LEU H H 51 8.248 8.248 8.423 -0.175 18374 229 1 1 . 1 1 52 52 ARG N N 52 124.997 124.997 125.745 -0.748 18374 230 1 1 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.890 0.957 18374 231 1 1 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.030 -0.899 18374 232 1 1 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.115 1.870 18374 233 1 1 . 1 1 52 52 ARG H H 52 8.639 8.639 8.545 0.094 18374 234 1 1 . 1 1 53 53 CYS N N 53 120.743 120.743 122.619 -1.876 18374 235 1 1 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.586 -1.093 18374 236 1 1 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.167 0.037 18374 237 1 1 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.859 0.920 18374 238 1 1 . 1 1 53 53 CYS H H 53 8.933 8.933 8.678 0.255 18374 239 1 1 . 1 1 54 54 ARG N N 54 121.407 121.407 120.828 0.579 18374 240 1 1 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.030 -0.220 18374 241 1 1 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.236 0.151 18374 242 1 1 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.416 -0.533 18374 243 1 1 . 1 1 54 54 ARG H H 54 10.380 10.380 8.731 1.649 18374 244 1 1 . 1 1 55 55 SER N N 55 117.300 117.300 113.393 3.907 18374 245 1 1 . 1 1 55 55 SER HA H 55 4.258 4.258 4.341 -0.083 18374 246 1 1 . 1 1 55 55 SER CA C 55 61.216 61.216 61.240 -0.024 18374 247 1 1 . 1 1 55 55 SER CB C 55 62.830 62.830 63.332 -0.502 18374 248 1 1 . 1 1 55 55 SER H H 55 8.228 8.228 8.078 0.150 18374 249 1 1 . 1 1 56 56 CYS N N 56 122.602 122.602 119.254 3.348 18374 250 1 1 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.271 -0.085 18374 251 1 1 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.240 0.001 18374 252 1 1 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.589 3.327 18374 253 1 1 . 1 1 56 56 CYS H H 56 7.999 7.999 7.715 0.284 18374 254 1 1 . 1 1 57 57 SER N N 57 115.430 115.430 113.494 1.936 18374 255 1 1 . 1 1 57 57 SER HA H 57 4.266 4.266 4.527 -0.261 18374 256 1 1 . 1 1 57 57 SER CA C 57 59.992 59.992 59.766 0.226 18374 257 1 1 . 1 1 57 57 SER CB C 57 63.492 63.492 63.370 0.122 18374 258 1 1 . 1 1 57 57 SER H H 57 7.938 7.938 7.893 0.045 18374 259 1 1 . 1 1 58 58 GLY N N 58 109.391 109.391 111.411 -2.020 18374 260 1 1 . 1 1 58 58 GLY CA C 58 45.426 45.426 46.039 -0.613 18374 261 1 1 . 1 1 58 58 GLY H H 58 8.013 8.013 7.689 0.324 18374 262 1 1 . 1 1 59 59 ASP N N 59 120.345 120.345 120.784 -0.439 18374 263 1 1 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.794 -0.203 18374 264 1 1 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.109 0.183 18374 265 1 1 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.454 -0.371 18374 266 1 1 . 1 1 59 59 ASP H H 59 8.130 8.130 8.308 -0.178 18374 267 1 1 . 1 1 60 60 VAL N N 60 119.548 119.548 123.773 -4.225 18374 268 1 1 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.330 -0.172 18374 269 1 1 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.959 -0.044 18374 270 1 1 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.015 0.500 18374 271 1 1 . 1 1 60 60 VAL H H 60 8.072 8.072 8.315 -0.243 18374 272 1 1 . 1 1 61 61 THR N N 61 121.407 121.407 122.030 -0.623 18374 273 1 1 . 1 1 61 61 THR HA H 61 4.509 4.509 4.771 -0.262 18374 274 1 1 . 1 1 61 61 THR CA C 61 59.848 59.848 60.469 -0.621 18374 275 1 1 . 1 1 61 61 THR CB C 61 69.602 69.602 69.609 -0.007 18374 276 1 1 . 1 1 61 61 THR H H 61 8.335 8.335 8.087 0.248 18374 277 1 1 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.612 -0.250 18374 278 1 1 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.363 0.540 18374 279 1 1 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.687 -0.738 18374 280 1 1 . 1 1 63 63 ALA N N 63 125.923 125.923 123.539 2.384 18374 281 1 1 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.507 0.031 18374 282 1 1 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.353 -0.085 18374 283 1 1 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.910 -1.210 18374 284 1 1 . 1 1 63 63 ALA H H 63 8.368 8.368 8.301 0.067 18374 285 1 1 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.369 0.041 18374 286 1 1 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.857 0.040 18374 287 1 1 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.289 0.635 18374 288 1 1 . 1 1 65 65 VAL N N 65 120.526 120.526 124.295 -3.769 18374 289 1 1 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.193 -0.120 18374 290 1 1 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.114 0.212 18374 291 1 1 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.107 -1.027 18374 292 1 1 . 1 1 65 65 VAL H H 65 8.270 8.270 8.152 0.118 18374 293 1 2 . 1 1 2 2 ALA N N 2 123.688 123.688 121.480 2.208 18374 294 1 2 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.084 0.214 18374 295 1 2 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.019 -0.309 18374 296 1 2 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.767 0.468 18374 297 1 2 . 1 1 2 2 ALA H H 2 8.653 8.653 8.268 0.385 18374 298 1 2 . 1 1 3 3 MET N N 3 119.289 119.289 117.721 1.568 18374 299 1 2 . 1 1 3 3 MET HA H 3 4.426 4.426 4.493 -0.067 18374 300 1 2 . 1 1 3 3 MET CA C 3 55.430 55.430 55.945 -0.515 18374 301 1 2 . 1 1 3 3 MET CB C 3 32.532 32.532 33.015 -0.483 18374 302 1 2 . 1 1 3 3 MET H H 3 8.545 8.545 7.948 0.597 18374 303 1 2 . 1 1 4 4 GLU N N 4 122.149 122.149 120.544 1.605 18374 304 1 2 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.324 -0.080 18374 305 1 2 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.350 0.681 18374 306 1 2 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.916 0.090 18374 307 1 2 . 1 1 4 4 GLU H H 4 8.440 8.440 8.321 0.119 18374 308 1 2 . 1 1 5 5 GLY N N 5 110.051 110.051 108.678 1.373 18374 309 1 2 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.528 0.880 18374 310 1 2 . 1 1 5 5 GLY H H 5 8.500 8.500 7.771 0.729 18374 311 1 2 . 1 1 6 6 GLN N N 6 119.509 119.509 119.587 -0.078 18374 312 1 2 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.250 0.036 18374 313 1 2 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.248 -1.248 18374 314 1 2 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.829 0.379 18374 315 1 2 . 1 1 6 6 GLN H H 6 8.242 8.242 8.276 -0.034 18374 316 1 2 . 1 1 7 7 GLN N N 7 121.049 121.049 118.430 2.619 18374 317 1 2 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.514 -0.253 18374 318 1 2 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.963 1.141 18374 319 1 2 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.863 -0.659 18374 320 1 2 . 1 1 7 7 GLN H H 7 8.534 8.534 8.041 0.493 18374 321 1 2 . 1 1 8 8 ASN N N 8 119.289 119.289 118.130 1.159 18374 322 1 2 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.973 -0.328 18374 323 1 2 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.760 0.347 18374 324 1 2 . 1 1 8 8 ASN CB C 8 38.519 38.519 40.819 -2.300 18374 325 1 2 . 1 1 8 8 ASN H H 8 8.486 8.486 8.513 -0.027 18374 326 1 2 . 1 1 9 9 LEU N N 9 122.204 122.204 126.755 -4.551 18374 327 1 2 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.321 -0.030 18374 328 1 2 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.174 0.542 18374 329 1 2 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.213 2.184 18374 330 1 2 . 1 1 9 9 LEU H H 9 8.145 8.145 8.703 -0.558 18374 331 1 2 . 1 1 10 10 ALA N N 10 126.188 126.188 125.132 1.056 18374 332 1 2 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.690 -0.158 18374 333 1 2 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.574 0.763 18374 334 1 2 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.727 -1.933 18374 335 1 2 . 1 1 10 10 ALA H H 10 8.324 8.324 8.005 0.319 18374 336 1 2 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.425 -0.061 18374 337 1 2 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.239 1.669 18374 338 1 2 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.465 1.404 18374 339 1 2 . 1 1 12 12 GLY N N 12 108.951 108.951 108.145 0.806 18374 340 1 2 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.874 0.347 18374 341 1 2 . 1 1 12 12 GLY H H 12 8.501 8.501 7.965 0.536 18374 342 1 2 . 1 1 13 13 ALA N N 13 123.134 123.134 127.070 -3.936 18374 343 1 2 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.386 -0.152 18374 344 1 2 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.943 0.166 18374 345 1 2 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.934 1.591 18374 346 1 2 . 1 1 13 13 ALA H H 13 7.957 7.957 8.307 -0.350 18374 347 1 2 . 1 1 14 14 ARG N N 14 116.759 116.759 120.968 -4.209 18374 348 1 2 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.538 -0.419 18374 349 1 2 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.548 -1.738 18374 350 1 2 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.337 -1.885 18374 351 1 2 . 1 1 14 14 ARG H H 14 7.990 7.990 7.862 0.128 18374 352 1 2 . 1 1 15 15 CYS N N 15 123.688 123.688 126.242 -2.554 18374 353 1 2 . 1 1 15 15 CYS HA H 15 4.017 4.017 5.090 -1.073 18374 354 1 2 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.670 1.440 18374 355 1 2 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.123 3.934 18374 356 1 2 . 1 1 15 15 CYS H H 15 7.646 7.646 8.449 -0.803 18374 357 1 2 . 1 1 16 16 GLY N N 16 117.749 117.749 116.349 1.400 18374 358 1 2 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.783 0.002 18374 359 1 2 . 1 1 16 16 GLY H H 16 8.916 8.916 9.103 -0.187 18374 360 1 2 . 1 1 17 17 VAL N N 17 122.602 122.602 119.495 3.107 18374 361 1 2 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.019 -0.005 18374 362 1 2 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.073 0.958 18374 363 1 2 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.224 0.616 18374 364 1 2 . 1 1 17 17 VAL H H 17 8.856 8.856 7.768 1.088 18374 365 1 2 . 1 1 18 18 CYS N N 18 115.430 115.430 113.196 2.234 18374 366 1 2 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.851 0.075 18374 367 1 2 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.775 -0.596 18374 368 1 2 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.640 0.971 18374 369 1 2 . 1 1 18 18 CYS H H 18 7.758 7.758 7.863 -0.105 18374 370 1 2 . 1 1 19 19 GLY N N 19 113.040 113.040 111.173 1.867 18374 371 1 2 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.885 1.472 18374 372 1 2 . 1 1 19 19 GLY H H 19 8.029 8.029 8.718 -0.689 18374 373 1 2 . 1 1 20 20 ASP N N 20 123.399 123.399 121.208 2.191 18374 374 1 2 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.842 0.165 18374 375 1 2 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.128 0.386 18374 376 1 2 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.860 1.682 18374 377 1 2 . 1 1 20 20 ASP H H 20 8.722 8.722 7.768 0.954 18374 378 1 2 . 1 1 21 21 GLY N N 21 111.371 111.371 109.114 2.257 18374 379 1 2 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.848 0.259 18374 380 1 2 . 1 1 21 21 GLY H H 21 8.667 8.667 8.567 0.100 18374 381 1 2 . 1 1 22 22 THR N N 22 118.220 118.220 115.856 2.364 18374 382 1 2 . 1 1 22 22 THR HA H 22 3.979 3.979 4.282 -0.303 18374 383 1 2 . 1 1 22 22 THR CA C 22 64.367 64.367 63.479 0.888 18374 384 1 2 . 1 1 22 22 THR CB C 22 67.783 67.783 69.384 -1.601 18374 385 1 2 . 1 1 22 22 THR H H 22 8.784 8.784 8.066 0.718 18374 386 1 2 . 1 1 23 23 ASP N N 23 127.251 127.251 123.114 4.137 18374 387 1 2 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.304 -0.003 18374 388 1 2 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.016 0.411 18374 389 1 2 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.358 -1.319 18374 390 1 2 . 1 1 23 23 ASP H H 23 9.376 9.376 8.822 0.554 18374 391 1 2 . 1 1 24 24 VAL N N 24 111.371 111.371 118.289 -6.918 18374 392 1 2 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.288 -0.728 18374 393 1 2 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.570 0.146 18374 394 1 2 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.080 -0.788 18374 395 1 2 . 1 1 24 24 VAL H H 24 7.402 7.402 8.053 -0.651 18374 396 1 2 . 1 1 25 25 LEU N N 25 123.908 123.908 129.577 -5.669 18374 397 1 2 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.392 -0.053 18374 398 1 2 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.999 -1.477 18374 399 1 2 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.875 -0.433 18374 400 1 2 . 1 1 25 25 LEU H H 25 8.328 8.328 8.775 -0.447 18374 401 1 2 . 1 1 26 26 ARG N N 26 116.626 116.626 119.918 -3.292 18374 402 1 2 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.276 -0.175 18374 403 1 2 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.196 -0.541 18374 404 1 2 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.270 0.397 18374 405 1 2 . 1 1 26 26 ARG H H 26 7.877 7.877 8.031 -0.154 18374 406 1 2 . 1 1 27 27 CYS N N 27 126.328 126.328 124.025 2.303 18374 407 1 2 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.897 -0.582 18374 408 1 2 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.291 1.107 18374 409 1 2 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.594 2.073 18374 410 1 2 . 1 1 27 27 CYS H H 27 9.182 9.182 8.388 0.794 18374 411 1 2 . 1 1 28 28 THR N N 28 122.470 122.470 121.722 0.748 18374 412 1 2 . 1 1 28 28 THR HA H 28 4.166 4.166 4.426 -0.260 18374 413 1 2 . 1 1 28 28 THR CA C 28 64.686 64.686 63.820 0.866 18374 414 1 2 . 1 1 28 28 THR CB C 28 69.846 69.846 68.959 0.887 18374 415 1 2 . 1 1 28 28 THR H H 28 8.956 8.956 9.098 -0.142 18374 416 1 2 . 1 1 29 29 HIS N N 29 123.908 123.908 119.122 4.786 18374 417 1 2 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.648 0.261 18374 418 1 2 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.173 0.931 18374 419 1 2 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.216 -0.671 18374 420 1 2 . 1 1 29 29 HIS H H 29 9.464 9.464 8.314 1.150 18374 421 1 2 . 1 1 30 30 CYS N N 30 119.946 119.946 115.144 4.802 18374 422 1 2 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.900 -0.089 18374 423 1 2 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.191 2.899 18374 424 1 2 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.920 1.978 18374 425 1 2 . 1 1 30 30 CYS H H 30 8.710 8.710 7.852 0.858 18374 426 1 2 . 1 1 31 31 ALA N N 31 120.477 120.477 124.367 -3.890 18374 427 1 2 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.573 -0.289 18374 428 1 2 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.845 2.645 18374 429 1 2 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.869 -1.451 18374 430 1 2 . 1 1 31 31 ALA H H 31 7.626 7.626 8.503 -0.877 18374 431 1 2 . 1 1 32 32 ALA N N 32 125.524 125.524 125.572 -0.048 18374 432 1 2 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.514 -0.268 18374 433 1 2 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.560 1.280 18374 434 1 2 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.139 -1.804 18374 435 1 2 . 1 1 32 32 ALA H H 32 9.152 9.152 8.246 0.906 18374 436 1 2 . 1 1 33 33 ALA N N 33 123.257 123.257 126.169 -2.912 18374 437 1 2 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.642 -0.232 18374 438 1 2 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.099 -0.293 18374 439 1 2 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.193 -0.565 18374 440 1 2 . 1 1 33 33 ALA H H 33 8.490 8.490 8.810 -0.320 18374 441 1 2 . 1 1 34 34 PHE N N 34 118.220 118.220 120.207 -1.987 18374 442 1 2 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.919 0.155 18374 443 1 2 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.108 -0.346 18374 444 1 2 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.140 -1.918 18374 445 1 2 . 1 1 34 34 PHE H H 34 8.948 8.948 8.667 0.281 18374 446 1 2 . 1 1 35 35 HIS N N 35 116.759 116.759 119.587 -2.828 18374 447 1 2 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.952 -0.066 18374 448 1 2 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.381 1.757 18374 449 1 2 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.369 -0.346 18374 450 1 2 . 1 1 35 35 HIS H H 35 7.932 7.932 8.089 -0.157 18374 451 1 2 . 1 1 36 36 TRP N N 36 127.649 127.649 126.567 1.082 18374 452 1 2 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.591 -0.153 18374 453 1 2 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.125 0.248 18374 454 1 2 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.065 -0.741 18374 455 1 2 . 1 1 36 36 TRP H H 36 9.421 9.421 9.095 0.326 18374 456 1 2 . 1 1 37 37 ARG N N 37 113.040 113.040 117.445 -4.405 18374 457 1 2 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.294 0.110 18374 458 1 2 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.122 -1.649 18374 459 1 2 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.583 -0.416 18374 460 1 2 . 1 1 37 37 ARG H H 37 9.075 9.075 8.512 0.563 18374 461 1 2 . 1 1 38 38 CYS N N 38 116.493 116.493 114.655 1.838 18374 462 1 2 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.438 -0.220 18374 463 1 2 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.674 1.785 18374 464 1 2 . 1 1 38 38 CYS CB C 38 29.676 29.676 25.847 3.829 18374 465 1 2 . 1 1 38 38 CYS H H 38 7.169 7.169 8.427 -1.258 18374 466 1 2 . 1 1 39 39 HIS N N 39 118.220 118.220 116.442 1.778 18374 467 1 2 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.378 -0.155 18374 468 1 2 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.721 0.755 18374 469 1 2 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.212 4.128 18374 470 1 2 . 1 1 39 39 HIS H H 39 7.562 7.562 7.645 -0.083 18374 471 1 2 . 1 1 40 40 PHE N N 40 117.157 117.157 117.743 -0.586 18374 472 1 2 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.757 0.026 18374 473 1 2 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.202 -2.543 18374 474 1 2 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.481 -0.674 18374 475 1 2 . 1 1 40 40 PHE H H 40 8.282 8.282 8.367 -0.085 18374 476 1 2 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.532 -0.045 18374 477 1 2 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.684 0.536 18374 478 1 2 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.524 -0.309 18374 479 1 2 . 1 1 42 42 ALA N N 42 123.001 123.001 122.621 0.380 18374 480 1 2 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.228 0.130 18374 481 1 2 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.054 -1.041 18374 482 1 2 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.605 0.036 18374 483 1 2 . 1 1 42 42 ALA H H 42 8.635 8.635 8.502 0.133 18374 484 1 2 . 1 1 43 43 GLY N N 43 108.291 108.291 105.253 3.038 18374 485 1 2 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.872 0.594 18374 486 1 2 . 1 1 43 43 GLY H H 43 8.529 8.529 8.076 0.453 18374 487 1 2 . 1 1 44 44 THR N N 44 113.961 113.961 119.019 -5.058 18374 488 1 2 . 1 1 44 44 THR HA H 44 4.424 4.424 4.469 -0.045 18374 489 1 2 . 1 1 44 44 THR CA C 44 62.074 62.074 62.545 -0.471 18374 490 1 2 . 1 1 44 44 THR CB C 44 70.259 70.259 69.650 0.609 18374 491 1 2 . 1 1 44 44 THR H H 44 7.971 7.971 7.848 0.123 18374 492 1 2 . 1 1 45 45 SER N N 45 120.467 120.467 121.234 -0.767 18374 493 1 2 . 1 1 45 45 SER HA H 45 4.280 4.280 4.589 -0.309 18374 494 1 2 . 1 1 45 45 SER CA C 45 58.274 58.274 57.846 0.428 18374 495 1 2 . 1 1 45 45 SER CB C 45 63.906 63.906 64.230 -0.324 18374 496 1 2 . 1 1 45 45 SER H H 45 8.644 8.644 8.714 -0.070 18374 497 1 2 . 1 1 46 46 ARG N N 46 124.196 124.196 125.055 -0.859 18374 498 1 2 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.907 0.013 18374 499 1 2 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.857 -0.705 18374 500 1 2 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.419 0.483 18374 501 1 2 . 1 1 46 46 ARG H H 46 8.197 8.197 8.339 -0.142 18374 502 1 2 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.423 -0.125 18374 503 1 2 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.492 0.326 18374 504 1 2 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.413 -0.227 18374 505 1 2 . 1 1 48 48 GLY N N 48 108.071 108.071 110.100 -2.029 18374 506 1 2 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.160 -0.481 18374 507 1 2 . 1 1 48 48 GLY H H 48 8.492 8.492 8.765 -0.273 18374 508 1 2 . 1 1 49 49 THR N N 49 111.151 111.151 111.910 -0.759 18374 509 1 2 . 1 1 49 49 THR HA H 49 4.377 4.377 4.350 0.027 18374 510 1 2 . 1 1 49 49 THR CA C 49 60.690 60.690 61.216 -0.526 18374 511 1 2 . 1 1 49 49 THR CB C 49 70.332 70.332 69.218 1.114 18374 512 1 2 . 1 1 49 49 THR H H 49 7.669 7.669 7.616 0.053 18374 513 1 2 . 1 1 50 50 GLY N N 50 110.491 110.491 108.869 1.622 18374 514 1 2 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.509 1.672 18374 515 1 2 . 1 1 50 50 GLY H H 50 8.459 8.459 7.444 1.016 18374 516 1 2 . 1 1 51 51 LEU N N 51 121.407 121.407 122.111 -0.704 18374 517 1 2 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.380 -0.098 18374 518 1 2 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.841 1.527 18374 519 1 2 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.165 0.654 18374 520 1 2 . 1 1 51 51 LEU H H 51 8.248 8.248 8.509 -0.261 18374 521 1 2 . 1 1 52 52 ARG N N 52 124.997 124.997 125.093 -0.096 18374 522 1 2 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.863 0.984 18374 523 1 2 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.843 -0.712 18374 524 1 2 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.923 2.062 18374 525 1 2 . 1 1 52 52 ARG H H 52 8.639 8.639 8.546 0.093 18374 526 1 2 . 1 1 53 53 CYS N N 53 120.743 120.743 122.052 -1.309 18374 527 1 2 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.885 -0.392 18374 528 1 2 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.182 0.022 18374 529 1 2 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.863 1.916 18374 530 1 2 . 1 1 53 53 CYS H H 53 8.933 8.933 8.556 0.377 18374 531 1 2 . 1 1 54 54 ARG N N 54 121.407 121.407 120.882 0.525 18374 532 1 2 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.944 -0.134 18374 533 1 2 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.291 -0.903 18374 534 1 2 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.198 -1.315 18374 535 1 2 . 1 1 54 54 ARG H H 54 10.380 10.380 8.701 1.679 18374 536 1 2 . 1 1 55 55 SER N N 55 117.300 117.300 115.269 2.031 18374 537 1 2 . 1 1 55 55 SER HA H 55 4.258 4.258 4.279 -0.021 18374 538 1 2 . 1 1 55 55 SER CA C 55 61.216 61.216 61.187 0.029 18374 539 1 2 . 1 1 55 55 SER CB C 55 62.830 62.830 63.017 -0.188 18374 540 1 2 . 1 1 55 55 SER H H 55 8.228 8.228 8.264 -0.036 18374 541 1 2 . 1 1 56 56 CYS N N 56 122.602 122.602 118.249 4.353 18374 542 1 2 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.313 -0.127 18374 543 1 2 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.524 0.718 18374 544 1 2 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.326 3.590 18374 545 1 2 . 1 1 56 56 CYS H H 56 7.999 7.999 7.750 0.249 18374 546 1 2 . 1 1 57 57 SER N N 57 115.430 115.430 114.065 1.365 18374 547 1 2 . 1 1 57 57 SER HA H 57 4.266 4.266 4.452 -0.186 18374 548 1 2 . 1 1 57 57 SER CA C 57 59.992 59.992 59.572 0.420 18374 549 1 2 . 1 1 57 57 SER CB C 57 63.492 63.492 63.635 -0.143 18374 550 1 2 . 1 1 57 57 SER H H 57 7.938 7.938 7.655 0.283 18374 551 1 2 . 1 1 58 58 GLY N N 58 109.391 109.391 109.163 0.228 18374 552 1 2 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.020 0.406 18374 553 1 2 . 1 1 58 58 GLY H H 58 8.013 8.013 7.726 0.287 18374 554 1 2 . 1 1 59 59 ASP N N 59 120.345 120.345 123.858 -3.513 18374 555 1 2 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.742 -0.151 18374 556 1 2 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.016 0.276 18374 557 1 2 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.154 0.929 18374 558 1 2 . 1 1 59 59 ASP H H 59 8.130 8.130 8.054 0.076 18374 559 1 2 . 1 1 60 60 VAL N N 60 119.548 119.548 122.049 -2.501 18374 560 1 2 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.136 0.022 18374 561 1 2 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.974 -0.059 18374 562 1 2 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.138 0.377 18374 563 1 2 . 1 1 60 60 VAL H H 60 8.072 8.072 7.641 0.431 18374 564 1 2 . 1 1 61 61 THR N N 61 121.407 121.407 122.910 -1.503 18374 565 1 2 . 1 1 61 61 THR HA H 61 4.509 4.509 4.456 0.053 18374 566 1 2 . 1 1 61 61 THR CA C 61 59.848 59.848 59.717 0.131 18374 567 1 2 . 1 1 61 61 THR CB C 61 69.602 69.602 69.031 0.571 18374 568 1 2 . 1 1 61 61 THR H H 61 8.335 8.335 8.272 0.063 18374 569 1 2 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.477 -0.115 18374 570 1 2 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.637 0.266 18374 571 1 2 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.424 -0.475 18374 572 1 2 . 1 1 63 63 ALA N N 63 125.923 125.923 126.010 -0.087 18374 573 1 2 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.667 -0.129 18374 574 1 2 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.781 0.487 18374 575 1 2 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.489 -1.789 18374 576 1 2 . 1 1 63 63 ALA H H 63 8.368 8.368 8.219 0.149 18374 577 1 2 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.453 -0.043 18374 578 1 2 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.032 -0.135 18374 579 1 2 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.363 1.561 18374 580 1 2 . 1 1 65 65 VAL N N 65 120.526 120.526 121.536 -1.010 18374 581 1 2 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.416 -0.343 18374 582 1 2 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.814 1.512 18374 583 1 2 . 1 1 65 65 VAL CB C 65 32.080 32.080 34.340 -2.260 18374 584 1 2 . 1 1 65 65 VAL H H 65 8.270 8.270 8.067 0.203 18374 585 1 3 . 1 1 2 2 ALA N N 2 123.688 123.688 128.311 -4.623 18374 586 1 3 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.086 0.212 18374 587 1 3 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.571 -0.861 18374 588 1 3 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.607 0.628 18374 589 1 3 . 1 1 2 2 ALA H H 2 8.653 8.653 8.431 0.222 18374 590 1 3 . 1 1 3 3 MET N N 3 119.289 119.289 118.610 0.679 18374 591 1 3 . 1 1 3 3 MET HA H 3 4.426 4.426 4.733 -0.307 18374 592 1 3 . 1 1 3 3 MET CA C 3 55.430 55.430 55.079 0.351 18374 593 1 3 . 1 1 3 3 MET CB C 3 32.532 32.532 34.623 -2.091 18374 594 1 3 . 1 1 3 3 MET H H 3 8.545 8.545 7.929 0.616 18374 595 1 3 . 1 1 4 4 GLU N N 4 122.149 122.149 124.035 -1.886 18374 596 1 3 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.294 -0.050 18374 597 1 3 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.732 0.299 18374 598 1 3 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.035 -0.029 18374 599 1 3 . 1 1 4 4 GLU H H 4 8.440 8.440 8.651 -0.211 18374 600 1 3 . 1 1 5 5 GLY N N 5 110.051 110.051 110.298 -0.247 18374 601 1 3 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.103 0.305 18374 602 1 3 . 1 1 5 5 GLY H H 5 8.500 8.500 8.182 0.318 18374 603 1 3 . 1 1 6 6 GLN N N 6 119.509 119.509 121.967 -2.458 18374 604 1 3 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.233 0.053 18374 605 1 3 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.629 0.371 18374 606 1 3 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.024 0.184 18374 607 1 3 . 1 1 6 6 GLN H H 6 8.242 8.242 8.284 -0.042 18374 608 1 3 . 1 1 7 7 GLN N N 7 121.049 121.049 120.418 0.631 18374 609 1 3 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.252 0.009 18374 610 1 3 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.610 0.494 18374 611 1 3 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.709 1.495 18374 612 1 3 . 1 1 7 7 GLN H H 7 8.534 8.534 8.289 0.245 18374 613 1 3 . 1 1 8 8 ASN N N 8 119.289 119.289 119.876 -0.587 18374 614 1 3 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.618 0.027 18374 615 1 3 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.658 -1.551 18374 616 1 3 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.845 -0.326 18374 617 1 3 . 1 1 8 8 ASN H H 8 8.486 8.486 8.282 0.204 18374 618 1 3 . 1 1 9 9 LEU N N 9 122.204 122.204 122.136 0.068 18374 619 1 3 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.502 -0.211 18374 620 1 3 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.193 0.523 18374 621 1 3 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.963 -0.566 18374 622 1 3 . 1 1 9 9 LEU H H 9 8.145 8.145 7.785 0.360 18374 623 1 3 . 1 1 10 10 ALA N N 10 126.188 126.188 129.752 -3.564 18374 624 1 3 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.481 0.051 18374 625 1 3 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.000 0.337 18374 626 1 3 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.547 -0.754 18374 627 1 3 . 1 1 10 10 ALA H H 10 8.324 8.324 8.422 -0.098 18374 628 1 3 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.342 0.022 18374 629 1 3 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.381 0.527 18374 630 1 3 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.112 0.757 18374 631 1 3 . 1 1 12 12 GLY N N 12 108.951 108.951 110.109 -1.158 18374 632 1 3 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.144 0.077 18374 633 1 3 . 1 1 12 12 GLY H H 12 8.501 8.501 8.057 0.444 18374 634 1 3 . 1 1 13 13 ALA N N 13 123.134 123.134 124.770 -1.636 18374 635 1 3 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.435 -0.201 18374 636 1 3 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.872 0.237 18374 637 1 3 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.575 1.950 18374 638 1 3 . 1 1 13 13 ALA H H 13 7.957 7.957 8.168 -0.211 18374 639 1 3 . 1 1 14 14 ARG N N 14 116.759 116.759 121.172 -4.413 18374 640 1 3 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.490 -0.371 18374 641 1 3 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.709 -1.899 18374 642 1 3 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.158 -1.705 18374 643 1 3 . 1 1 14 14 ARG H H 14 7.990 7.990 7.923 0.067 18374 644 1 3 . 1 1 15 15 CYS N N 15 123.688 123.688 125.274 -1.586 18374 645 1 3 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.821 -0.804 18374 646 1 3 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.030 0.080 18374 647 1 3 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.818 4.239 18374 648 1 3 . 1 1 15 15 CYS H H 15 7.646 7.646 8.871 -1.225 18374 649 1 3 . 1 1 16 16 GLY N N 16 117.749 117.749 116.158 1.591 18374 650 1 3 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.463 0.322 18374 651 1 3 . 1 1 16 16 GLY H H 16 8.916 8.916 8.904 0.012 18374 652 1 3 . 1 1 17 17 VAL N N 17 122.602 122.602 121.962 0.640 18374 653 1 3 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.878 0.136 18374 654 1 3 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.912 0.119 18374 655 1 3 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.724 1.116 18374 656 1 3 . 1 1 17 17 VAL H H 17 8.856 8.856 8.039 0.817 18374 657 1 3 . 1 1 18 18 CYS N N 18 115.430 115.430 114.097 1.333 18374 658 1 3 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.847 0.079 18374 659 1 3 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.430 -0.251 18374 660 1 3 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.517 1.095 18374 661 1 3 . 1 1 18 18 CYS H H 18 7.758 7.758 8.158 -0.400 18374 662 1 3 . 1 1 19 19 GLY N N 19 113.040 113.040 111.315 1.725 18374 663 1 3 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.001 1.357 18374 664 1 3 . 1 1 19 19 GLY H H 19 8.029 8.029 8.300 -0.271 18374 665 1 3 . 1 1 20 20 ASP N N 20 123.399 123.399 119.101 4.298 18374 666 1 3 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.904 0.103 18374 667 1 3 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.231 0.283 18374 668 1 3 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.111 0.431 18374 669 1 3 . 1 1 20 20 ASP H H 20 8.722 8.722 7.874 0.848 18374 670 1 3 . 1 1 21 21 GLY N N 21 111.371 111.371 108.730 2.641 18374 671 1 3 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.574 0.533 18374 672 1 3 . 1 1 21 21 GLY H H 21 8.667 8.667 8.539 0.128 18374 673 1 3 . 1 1 22 22 THR N N 22 118.220 118.220 119.157 -0.937 18374 674 1 3 . 1 1 22 22 THR HA H 22 3.979 3.979 4.336 -0.357 18374 675 1 3 . 1 1 22 22 THR CA C 22 64.367 64.367 63.733 0.634 18374 676 1 3 . 1 1 22 22 THR CB C 22 67.783 67.783 69.135 -1.353 18374 677 1 3 . 1 1 22 22 THR H H 22 8.784 8.784 8.247 0.537 18374 678 1 3 . 1 1 23 23 ASP N N 23 127.251 127.251 123.278 3.973 18374 679 1 3 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.284 0.017 18374 680 1 3 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.287 0.140 18374 681 1 3 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.093 -1.054 18374 682 1 3 . 1 1 23 23 ASP H H 23 9.376 9.376 8.813 0.563 18374 683 1 3 . 1 1 24 24 VAL N N 24 111.371 111.371 118.642 -7.271 18374 684 1 3 . 1 1 24 24 VAL HA H 24 3.560 3.560 3.507 0.053 18374 685 1 3 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.614 1.103 18374 686 1 3 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.820 -0.528 18374 687 1 3 . 1 1 24 24 VAL H H 24 7.402 7.402 7.816 -0.414 18374 688 1 3 . 1 1 25 25 LEU N N 25 123.908 123.908 128.029 -4.121 18374 689 1 3 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.398 -0.059 18374 690 1 3 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.386 -1.864 18374 691 1 3 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.901 -0.459 18374 692 1 3 . 1 1 25 25 LEU H H 25 8.328 8.328 7.700 0.628 18374 693 1 3 . 1 1 26 26 ARG N N 26 116.626 116.626 118.176 -1.550 18374 694 1 3 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.275 -0.174 18374 695 1 3 . 1 1 26 26 ARG CA C 26 52.655 52.655 52.921 -0.266 18374 696 1 3 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.173 -0.505 18374 697 1 3 . 1 1 26 26 ARG H H 26 7.877 7.877 7.812 0.065 18374 698 1 3 . 1 1 27 27 CYS N N 27 126.328 126.328 122.220 4.108 18374 699 1 3 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.747 -0.432 18374 700 1 3 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.338 1.060 18374 701 1 3 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.666 2.001 18374 702 1 3 . 1 1 27 27 CYS H H 27 9.182 9.182 8.714 0.468 18374 703 1 3 . 1 1 28 28 THR N N 28 122.470 122.470 122.109 0.361 18374 704 1 3 . 1 1 28 28 THR HA H 28 4.166 4.166 4.309 -0.142 18374 705 1 3 . 1 1 28 28 THR CA C 28 64.686 64.686 63.930 0.756 18374 706 1 3 . 1 1 28 28 THR CB C 28 69.846 69.846 68.815 1.031 18374 707 1 3 . 1 1 28 28 THR H H 28 8.956 8.956 8.923 0.033 18374 708 1 3 . 1 1 29 29 HIS N N 29 123.908 123.908 118.393 5.515 18374 709 1 3 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.659 0.250 18374 710 1 3 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.186 0.918 18374 711 1 3 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.817 -1.272 18374 712 1 3 . 1 1 29 29 HIS H H 29 9.464 9.464 7.996 1.468 18374 713 1 3 . 1 1 30 30 CYS N N 30 119.946 119.946 117.189 2.757 18374 714 1 3 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.722 0.089 18374 715 1 3 . 1 1 30 30 CYS CA C 30 59.090 59.090 57.363 1.727 18374 716 1 3 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.997 1.901 18374 717 1 3 . 1 1 30 30 CYS H H 30 8.710 8.710 7.809 0.901 18374 718 1 3 . 1 1 31 31 ALA N N 31 120.477 120.477 124.598 -4.121 18374 719 1 3 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.485 -0.201 18374 720 1 3 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.886 2.604 18374 721 1 3 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.820 -1.402 18374 722 1 3 . 1 1 31 31 ALA H H 31 7.626 7.626 8.444 -0.818 18374 723 1 3 . 1 1 32 32 ALA N N 32 125.524 125.524 125.740 -0.216 18374 724 1 3 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.562 -0.316 18374 725 1 3 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.496 1.344 18374 726 1 3 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.490 -1.156 18374 727 1 3 . 1 1 32 32 ALA H H 32 9.152 9.152 8.425 0.727 18374 728 1 3 . 1 1 33 33 ALA N N 33 123.257 123.257 125.156 -1.899 18374 729 1 3 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.392 0.018 18374 730 1 3 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.381 -0.575 18374 731 1 3 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.777 -0.149 18374 732 1 3 . 1 1 33 33 ALA H H 33 8.490 8.490 8.504 -0.014 18374 733 1 3 . 1 1 34 34 PHE N N 34 118.220 118.220 120.555 -2.335 18374 734 1 3 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.858 0.216 18374 735 1 3 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.428 -0.666 18374 736 1 3 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.057 -1.835 18374 737 1 3 . 1 1 34 34 PHE H H 34 8.948 8.948 8.646 0.302 18374 738 1 3 . 1 1 35 35 HIS N N 35 116.759 116.759 121.335 -4.576 18374 739 1 3 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.823 0.063 18374 740 1 3 . 1 1 35 35 HIS CA C 35 56.138 56.138 55.696 0.442 18374 741 1 3 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.682 0.341 18374 742 1 3 . 1 1 35 35 HIS H H 35 7.932 7.932 8.178 -0.246 18374 743 1 3 . 1 1 36 36 TRP N N 36 127.649 127.649 123.896 3.753 18374 744 1 3 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.541 -0.103 18374 745 1 3 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.706 0.667 18374 746 1 3 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.048 -0.724 18374 747 1 3 . 1 1 36 36 TRP H H 36 9.421 9.421 8.994 0.427 18374 748 1 3 . 1 1 37 37 ARG N N 37 113.040 113.040 117.666 -4.626 18374 749 1 3 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.481 -0.077 18374 750 1 3 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.597 -1.124 18374 751 1 3 . 1 1 37 37 ARG CB C 37 29.167 29.167 30.021 -0.854 18374 752 1 3 . 1 1 37 37 ARG H H 37 9.075 9.075 8.491 0.584 18374 753 1 3 . 1 1 38 38 CYS N N 38 116.493 116.493 114.735 1.758 18374 754 1 3 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.532 -0.314 18374 755 1 3 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.127 2.332 18374 756 1 3 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.335 3.341 18374 757 1 3 . 1 1 38 38 CYS H H 38 7.169 7.169 8.252 -1.083 18374 758 1 3 . 1 1 39 39 HIS N N 39 118.220 118.220 116.041 2.179 18374 759 1 3 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.342 -0.119 18374 760 1 3 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.862 1.614 18374 761 1 3 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.410 3.929 18374 762 1 3 . 1 1 39 39 HIS H H 39 7.562 7.562 7.724 -0.162 18374 763 1 3 . 1 1 40 40 PHE N N 40 117.157 117.157 117.586 -0.429 18374 764 1 3 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.801 -0.018 18374 765 1 3 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.212 -2.553 18374 766 1 3 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.736 -0.929 18374 767 1 3 . 1 1 40 40 PHE H H 40 8.282 8.282 8.286 -0.004 18374 768 1 3 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.576 -0.089 18374 769 1 3 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.620 0.599 18374 770 1 3 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.350 -0.135 18374 771 1 3 . 1 1 42 42 ALA N N 42 123.001 123.001 123.630 -0.629 18374 772 1 3 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.178 0.180 18374 773 1 3 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.136 -1.123 18374 774 1 3 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.673 -0.032 18374 775 1 3 . 1 1 42 42 ALA H H 42 8.635 8.635 8.554 0.081 18374 776 1 3 . 1 1 43 43 GLY N N 43 108.291 108.291 104.378 3.913 18374 777 1 3 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.141 0.325 18374 778 1 3 . 1 1 43 43 GLY H H 43 8.529 8.529 8.197 0.332 18374 779 1 3 . 1 1 44 44 THR N N 44 113.961 113.961 118.400 -4.439 18374 780 1 3 . 1 1 44 44 THR HA H 44 4.424 4.424 4.529 -0.105 18374 781 1 3 . 1 1 44 44 THR CA C 44 62.074 62.074 62.647 -0.573 18374 782 1 3 . 1 1 44 44 THR CB C 44 70.259 70.259 69.866 0.393 18374 783 1 3 . 1 1 44 44 THR H H 44 7.971 7.971 7.732 0.239 18374 784 1 3 . 1 1 45 45 SER N N 45 120.467 120.467 120.882 -0.415 18374 785 1 3 . 1 1 45 45 SER HA H 45 4.280 4.280 4.609 -0.329 18374 786 1 3 . 1 1 45 45 SER CA C 45 58.274 58.274 57.948 0.326 18374 787 1 3 . 1 1 45 45 SER CB C 45 63.906 63.906 63.979 -0.073 18374 788 1 3 . 1 1 45 45 SER H H 45 8.644 8.644 8.529 0.115 18374 789 1 3 . 1 1 46 46 ARG N N 46 124.196 124.196 124.429 -0.233 18374 790 1 3 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.335 0.585 18374 791 1 3 . 1 1 46 46 ARG CA C 46 53.152 53.152 52.921 0.231 18374 792 1 3 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.411 1.491 18374 793 1 3 . 1 1 46 46 ARG H H 46 8.197 8.197 8.095 0.102 18374 794 1 3 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.426 -0.128 18374 795 1 3 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.183 0.635 18374 796 1 3 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.454 -0.268 18374 797 1 3 . 1 1 48 48 GLY N N 48 108.071 108.071 110.163 -2.092 18374 798 1 3 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.459 -0.780 18374 799 1 3 . 1 1 48 48 GLY H H 48 8.492 8.492 8.630 -0.138 18374 800 1 3 . 1 1 49 49 THR N N 49 111.151 111.151 114.239 -3.088 18374 801 1 3 . 1 1 49 49 THR HA H 49 4.377 4.377 4.358 0.019 18374 802 1 3 . 1 1 49 49 THR CA C 49 60.690 60.690 62.376 -1.686 18374 803 1 3 . 1 1 49 49 THR CB C 49 70.332 70.332 69.649 0.683 18374 804 1 3 . 1 1 49 49 THR H H 49 7.669 7.669 7.682 -0.013 18374 805 1 3 . 1 1 50 50 GLY N N 50 110.491 110.491 111.270 -0.779 18374 806 1 3 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.145 2.037 18374 807 1 3 . 1 1 50 50 GLY H H 50 8.459 8.459 7.958 0.501 18374 808 1 3 . 1 1 51 51 LEU N N 51 121.407 121.407 121.334 0.073 18374 809 1 3 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.324 -0.042 18374 810 1 3 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.470 0.898 18374 811 1 3 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.362 0.457 18374 812 1 3 . 1 1 51 51 LEU H H 51 8.248 8.248 8.100 0.148 18374 813 1 3 . 1 1 52 52 ARG N N 52 124.997 124.997 125.831 -0.834 18374 814 1 3 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.823 1.024 18374 815 1 3 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.790 -0.659 18374 816 1 3 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.187 1.798 18374 817 1 3 . 1 1 52 52 ARG H H 52 8.639 8.639 8.564 0.075 18374 818 1 3 . 1 1 53 53 CYS N N 53 120.743 120.743 122.413 -1.670 18374 819 1 3 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.286 -0.793 18374 820 1 3 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.672 0.532 18374 821 1 3 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.560 1.219 18374 822 1 3 . 1 1 53 53 CYS H H 53 8.933 8.933 8.666 0.267 18374 823 1 3 . 1 1 54 54 ARG N N 54 121.407 121.407 120.031 1.376 18374 824 1 3 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.991 -0.181 18374 825 1 3 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.402 -0.015 18374 826 1 3 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.712 -0.829 18374 827 1 3 . 1 1 54 54 ARG H H 54 10.380 10.380 8.648 1.732 18374 828 1 3 . 1 1 55 55 SER N N 55 117.300 117.300 115.210 2.090 18374 829 1 3 . 1 1 55 55 SER HA H 55 4.258 4.258 4.315 -0.057 18374 830 1 3 . 1 1 55 55 SER CA C 55 61.216 61.216 60.825 0.391 18374 831 1 3 . 1 1 55 55 SER CB C 55 62.830 62.830 63.063 -0.233 18374 832 1 3 . 1 1 55 55 SER H H 55 8.228 8.228 8.193 0.035 18374 833 1 3 . 1 1 56 56 CYS N N 56 122.602 122.602 120.603 1.999 18374 834 1 3 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.378 -0.192 18374 835 1 3 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.976 0.266 18374 836 1 3 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.680 3.236 18374 837 1 3 . 1 1 56 56 CYS H H 56 7.999 7.999 7.637 0.362 18374 838 1 3 . 1 1 57 57 SER N N 57 115.430 115.430 114.105 1.325 18374 839 1 3 . 1 1 57 57 SER HA H 57 4.266 4.266 4.914 -0.648 18374 840 1 3 . 1 1 57 57 SER CA C 57 59.992 59.992 57.608 2.384 18374 841 1 3 . 1 1 57 57 SER CB C 57 63.492 63.492 62.568 0.924 18374 842 1 3 . 1 1 57 57 SER H H 57 7.938 7.938 8.148 -0.210 18374 843 1 3 . 1 1 58 58 GLY N N 58 109.391 109.391 109.103 0.288 18374 844 1 3 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.944 0.482 18374 845 1 3 . 1 1 58 58 GLY H H 58 8.013 8.013 7.544 0.469 18374 846 1 3 . 1 1 59 59 ASP N N 59 120.345 120.345 119.915 0.430 18374 847 1 3 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.570 0.021 18374 848 1 3 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.495 0.797 18374 849 1 3 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.136 -1.053 18374 850 1 3 . 1 1 59 59 ASP H H 59 8.130 8.130 7.763 0.367 18374 851 1 3 . 1 1 60 60 VAL N N 60 119.548 119.548 121.051 -1.503 18374 852 1 3 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.332 -0.174 18374 853 1 3 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.928 -0.014 18374 854 1 3 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.949 -0.434 18374 855 1 3 . 1 1 60 60 VAL H H 60 8.072 8.072 8.190 -0.118 18374 856 1 3 . 1 1 61 61 THR N N 61 121.407 121.407 124.440 -3.033 18374 857 1 3 . 1 1 61 61 THR HA H 61 4.509 4.509 4.672 -0.163 18374 858 1 3 . 1 1 61 61 THR CA C 61 59.848 59.848 60.132 -0.284 18374 859 1 3 . 1 1 61 61 THR CB C 61 69.602 69.602 69.453 0.149 18374 860 1 3 . 1 1 61 61 THR H H 61 8.335 8.335 8.314 0.021 18374 861 1 3 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.447 -0.085 18374 862 1 3 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.071 -0.168 18374 863 1 3 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.290 -0.341 18374 864 1 3 . 1 1 63 63 ALA N N 63 125.923 125.923 127.649 -1.726 18374 865 1 3 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.566 -0.028 18374 866 1 3 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.031 0.237 18374 867 1 3 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.228 -1.528 18374 868 1 3 . 1 1 63 63 ALA H H 63 8.368 8.368 8.246 0.122 18374 869 1 3 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.398 0.012 18374 870 1 3 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.176 -0.279 18374 871 1 3 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.691 1.233 18374 872 1 3 . 1 1 65 65 VAL N N 65 120.526 120.526 122.075 -1.549 18374 873 1 3 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.296 -0.223 18374 874 1 3 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.306 1.020 18374 875 1 3 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.395 -1.315 18374 876 1 3 . 1 1 65 65 VAL H H 65 8.270 8.270 7.830 0.440 18374 877 1 4 . 1 1 2 2 ALA N N 2 123.688 123.688 122.875 0.813 18374 878 1 4 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.114 0.184 18374 879 1 4 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.420 0.290 18374 880 1 4 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.194 1.041 18374 881 1 4 . 1 1 2 2 ALA H H 2 8.653 8.653 8.115 0.538 18374 882 1 4 . 1 1 3 3 MET N N 3 119.289 119.289 119.154 0.135 18374 883 1 4 . 1 1 3 3 MET HA H 3 4.426 4.426 4.510 -0.084 18374 884 1 4 . 1 1 3 3 MET CA C 3 55.430 55.430 55.214 0.216 18374 885 1 4 . 1 1 3 3 MET CB C 3 32.532 32.532 33.393 -0.861 18374 886 1 4 . 1 1 3 3 MET H H 3 8.545 8.545 7.856 0.689 18374 887 1 4 . 1 1 4 4 GLU N N 4 122.149 122.149 123.269 -1.120 18374 888 1 4 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.367 -0.123 18374 889 1 4 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.644 0.387 18374 890 1 4 . 1 1 4 4 GLU CB C 4 30.006 30.006 28.423 1.583 18374 891 1 4 . 1 1 4 4 GLU H H 4 8.440 8.440 8.630 -0.190 18374 892 1 4 . 1 1 5 5 GLY N N 5 110.051 110.051 110.439 -0.388 18374 893 1 4 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.427 -0.019 18374 894 1 4 . 1 1 5 5 GLY H H 5 8.500 8.500 7.852 0.648 18374 895 1 4 . 1 1 6 6 GLN N N 6 119.509 119.509 119.813 -0.304 18374 896 1 4 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.353 -0.067 18374 897 1 4 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.396 0.604 18374 898 1 4 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.460 -0.252 18374 899 1 4 . 1 1 6 6 GLN H H 6 8.242 8.242 8.353 -0.111 18374 900 1 4 . 1 1 7 7 GLN N N 7 121.049 121.049 120.937 0.112 18374 901 1 4 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.413 -0.152 18374 902 1 4 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.146 0.958 18374 903 1 4 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.605 0.600 18374 904 1 4 . 1 1 7 7 GLN H H 7 8.534 8.534 8.061 0.473 18374 905 1 4 . 1 1 8 8 ASN N N 8 119.289 119.289 125.543 -6.254 18374 906 1 4 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.731 -0.086 18374 907 1 4 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.380 -0.273 18374 908 1 4 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.042 0.477 18374 909 1 4 . 1 1 8 8 ASN H H 8 8.486 8.486 8.779 -0.293 18374 910 1 4 . 1 1 9 9 LEU N N 9 122.204 122.204 121.827 0.377 18374 911 1 4 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.666 -0.375 18374 912 1 4 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.486 0.230 18374 913 1 4 . 1 1 9 9 LEU CB C 9 42.397 42.397 44.720 -2.323 18374 914 1 4 . 1 1 9 9 LEU H H 9 8.145 8.145 7.816 0.329 18374 915 1 4 . 1 1 10 10 ALA N N 10 126.188 126.188 129.349 -3.161 18374 916 1 4 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.655 -0.123 18374 917 1 4 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.636 -0.299 18374 918 1 4 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.453 -0.660 18374 919 1 4 . 1 1 10 10 ALA H H 10 8.324 8.324 8.196 0.128 18374 920 1 4 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.428 -0.064 18374 921 1 4 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.796 1.112 18374 922 1 4 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.177 1.692 18374 923 1 4 . 1 1 12 12 GLY N N 12 108.951 108.951 109.390 -0.439 18374 924 1 4 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.058 0.163 18374 925 1 4 . 1 1 12 12 GLY H H 12 8.501 8.501 8.175 0.326 18374 926 1 4 . 1 1 13 13 ALA N N 13 123.134 123.134 125.905 -2.771 18374 927 1 4 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.529 -0.295 18374 928 1 4 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.756 0.353 18374 929 1 4 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.232 1.293 18374 930 1 4 . 1 1 13 13 ALA H H 13 7.957 7.957 8.347 -0.390 18374 931 1 4 . 1 1 14 14 ARG N N 14 116.759 116.759 120.874 -4.115 18374 932 1 4 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.519 -0.400 18374 933 1 4 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.830 -1.020 18374 934 1 4 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.780 -2.327 18374 935 1 4 . 1 1 14 14 ARG H H 14 7.990 7.990 7.818 0.172 18374 936 1 4 . 1 1 15 15 CYS N N 15 123.688 123.688 123.115 0.573 18374 937 1 4 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.568 -0.551 18374 938 1 4 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.349 -0.239 18374 939 1 4 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.255 3.802 18374 940 1 4 . 1 1 15 15 CYS H H 15 7.646 7.646 8.558 -0.912 18374 941 1 4 . 1 1 16 16 GLY N N 16 117.749 117.749 115.727 2.022 18374 942 1 4 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.797 -0.012 18374 943 1 4 . 1 1 16 16 GLY H H 16 8.916 8.916 8.982 -0.066 18374 944 1 4 . 1 1 17 17 VAL N N 17 122.602 122.602 119.279 3.323 18374 945 1 4 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.039 -0.025 18374 946 1 4 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.084 0.947 18374 947 1 4 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.844 0.996 18374 948 1 4 . 1 1 17 17 VAL H H 17 8.856 8.856 7.520 1.336 18374 949 1 4 . 1 1 18 18 CYS N N 18 115.430 115.430 117.720 -2.290 18374 950 1 4 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.761 0.165 18374 951 1 4 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.297 -1.118 18374 952 1 4 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.345 2.266 18374 953 1 4 . 1 1 18 18 CYS H H 18 7.758 7.758 7.944 -0.186 18374 954 1 4 . 1 1 19 19 GLY N N 19 113.040 113.040 110.417 2.623 18374 955 1 4 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.675 0.682 18374 956 1 4 . 1 1 19 19 GLY H H 19 8.029 8.029 8.802 -0.773 18374 957 1 4 . 1 1 20 20 ASP N N 20 123.399 123.399 118.057 5.342 18374 958 1 4 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.843 0.164 18374 959 1 4 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.637 0.877 18374 960 1 4 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.062 0.480 18374 961 1 4 . 1 1 20 20 ASP H H 20 8.722 8.722 7.368 1.354 18374 962 1 4 . 1 1 21 21 GLY N N 21 111.371 111.371 108.823 2.548 18374 963 1 4 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.618 0.489 18374 964 1 4 . 1 1 21 21 GLY H H 21 8.667 8.667 8.533 0.134 18374 965 1 4 . 1 1 22 22 THR N N 22 118.220 118.220 119.365 -1.145 18374 966 1 4 . 1 1 22 22 THR HA H 22 3.979 3.979 4.276 -0.297 18374 967 1 4 . 1 1 22 22 THR CA C 22 64.367 64.367 64.042 0.325 18374 968 1 4 . 1 1 22 22 THR CB C 22 67.783 67.783 69.175 -1.393 18374 969 1 4 . 1 1 22 22 THR H H 22 8.784 8.784 8.713 0.071 18374 970 1 4 . 1 1 23 23 ASP N N 23 127.251 127.251 122.513 4.738 18374 971 1 4 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.293 0.008 18374 972 1 4 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.143 0.284 18374 973 1 4 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.659 -0.620 18374 974 1 4 . 1 1 23 23 ASP H H 23 9.376 9.376 8.851 0.525 18374 975 1 4 . 1 1 24 24 VAL N N 24 111.371 111.371 117.066 -5.695 18374 976 1 4 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.288 -0.728 18374 977 1 4 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.001 0.715 18374 978 1 4 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.430 -1.138 18374 979 1 4 . 1 1 24 24 VAL H H 24 7.402 7.402 7.644 -0.242 18374 980 1 4 . 1 1 25 25 LEU N N 25 123.908 123.908 126.973 -3.065 18374 981 1 4 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.497 -0.158 18374 982 1 4 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.891 -1.369 18374 983 1 4 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.774 -0.332 18374 984 1 4 . 1 1 25 25 LEU H H 25 8.328 8.328 8.443 -0.115 18374 985 1 4 . 1 1 26 26 ARG N N 26 116.626 116.626 119.493 -2.867 18374 986 1 4 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.407 -0.306 18374 987 1 4 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.471 -0.816 18374 988 1 4 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.880 -0.212 18374 989 1 4 . 1 1 26 26 ARG H H 26 7.877 7.877 8.065 -0.188 18374 990 1 4 . 1 1 27 27 CYS N N 27 126.328 126.328 121.174 5.154 18374 991 1 4 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.051 -0.736 18374 992 1 4 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.410 1.988 18374 993 1 4 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.689 1.978 18374 994 1 4 . 1 1 27 27 CYS H H 27 9.182 9.182 8.423 0.759 18374 995 1 4 . 1 1 28 28 THR N N 28 122.470 122.470 120.676 1.794 18374 996 1 4 . 1 1 28 28 THR HA H 28 4.166 4.166 4.444 -0.278 18374 997 1 4 . 1 1 28 28 THR CA C 28 64.686 64.686 64.065 0.621 18374 998 1 4 . 1 1 28 28 THR CB C 28 69.846 69.846 69.442 0.404 18374 999 1 4 . 1 1 28 28 THR H H 28 8.956 8.956 8.985 -0.029 18374 1000 1 4 . 1 1 29 29 HIS N N 29 123.908 123.908 119.299 4.609 18374 1001 1 4 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.590 0.319 18374 1002 1 4 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.833 1.271 18374 1003 1 4 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.909 -0.364 18374 1004 1 4 . 1 1 29 29 HIS H H 29 9.464 9.464 8.536 0.928 18374 1005 1 4 . 1 1 30 30 CYS N N 30 119.946 119.946 114.796 5.150 18374 1006 1 4 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.877 -0.066 18374 1007 1 4 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.141 2.949 18374 1008 1 4 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.101 1.797 18374 1009 1 4 . 1 1 30 30 CYS H H 30 8.710 8.710 7.781 0.929 18374 1010 1 4 . 1 1 31 31 ALA N N 31 120.477 120.477 124.449 -3.972 18374 1011 1 4 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.597 -0.313 18374 1012 1 4 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.815 2.675 18374 1013 1 4 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.914 -1.496 18374 1014 1 4 . 1 1 31 31 ALA H H 31 7.626 7.626 8.491 -0.865 18374 1015 1 4 . 1 1 32 32 ALA N N 32 125.524 125.524 125.253 0.271 18374 1016 1 4 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.552 -0.306 18374 1017 1 4 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.433 1.407 18374 1018 1 4 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.814 -1.480 18374 1019 1 4 . 1 1 32 32 ALA H H 32 9.152 9.152 8.331 0.821 18374 1020 1 4 . 1 1 33 33 ALA N N 33 123.257 123.257 123.924 -0.667 18374 1021 1 4 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.699 -0.289 18374 1022 1 4 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.236 -0.430 18374 1023 1 4 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.703 -1.075 18374 1024 1 4 . 1 1 33 33 ALA H H 33 8.490 8.490 8.536 -0.046 18374 1025 1 4 . 1 1 34 34 PHE N N 34 118.220 118.220 119.738 -1.518 18374 1026 1 4 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.799 0.275 18374 1027 1 4 . 1 1 34 34 PHE CA C 34 55.762 55.762 55.933 -0.171 18374 1028 1 4 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.940 -1.718 18374 1029 1 4 . 1 1 34 34 PHE H H 34 8.948 8.948 8.669 0.279 18374 1030 1 4 . 1 1 35 35 HIS N N 35 116.759 116.759 122.570 -5.811 18374 1031 1 4 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.776 0.110 18374 1032 1 4 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.776 1.362 18374 1033 1 4 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.119 0.904 18374 1034 1 4 . 1 1 35 35 HIS H H 35 7.932 7.932 8.474 -0.542 18374 1035 1 4 . 1 1 36 36 TRP N N 36 127.649 127.649 127.289 0.360 18374 1036 1 4 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.763 -0.325 18374 1037 1 4 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.251 0.122 18374 1038 1 4 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.877 -0.552 18374 1039 1 4 . 1 1 36 36 TRP H H 36 9.421 9.421 9.177 0.244 18374 1040 1 4 . 1 1 37 37 ARG N N 37 113.040 113.040 116.710 -3.670 18374 1041 1 4 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.268 0.136 18374 1042 1 4 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.150 -1.677 18374 1043 1 4 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.899 -0.732 18374 1044 1 4 . 1 1 37 37 ARG H H 37 9.075 9.075 8.630 0.445 18374 1045 1 4 . 1 1 38 38 CYS N N 38 116.493 116.493 115.651 0.842 18374 1046 1 4 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.511 -0.293 18374 1047 1 4 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.676 1.783 18374 1048 1 4 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.818 2.858 18374 1049 1 4 . 1 1 38 38 CYS H H 38 7.169 7.169 7.954 -0.785 18374 1050 1 4 . 1 1 39 39 HIS N N 39 118.220 118.220 116.478 1.742 18374 1051 1 4 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.331 -0.108 18374 1052 1 4 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.116 1.360 18374 1053 1 4 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.715 3.626 18374 1054 1 4 . 1 1 39 39 HIS H H 39 7.562 7.562 7.621 -0.059 18374 1055 1 4 . 1 1 40 40 PHE N N 40 117.157 117.157 117.123 0.034 18374 1056 1 4 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.826 -0.043 18374 1057 1 4 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.562 -2.903 18374 1058 1 4 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.731 0.076 18374 1059 1 4 . 1 1 40 40 PHE H H 40 8.282 8.282 8.112 0.170 18374 1060 1 4 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.540 -0.053 18374 1061 1 4 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.122 0.097 18374 1062 1 4 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.531 0.684 18374 1063 1 4 . 1 1 42 42 ALA N N 42 123.001 123.001 120.346 2.655 18374 1064 1 4 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.355 0.003 18374 1065 1 4 . 1 1 42 42 ALA CA C 42 53.013 53.013 52.271 0.742 18374 1066 1 4 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.603 0.038 18374 1067 1 4 . 1 1 42 42 ALA H H 42 8.635 8.635 7.953 0.682 18374 1068 1 4 . 1 1 43 43 GLY N N 43 108.291 108.291 107.076 1.215 18374 1069 1 4 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.786 0.680 18374 1070 1 4 . 1 1 43 43 GLY H H 43 8.529 8.529 7.991 0.538 18374 1071 1 4 . 1 1 44 44 THR N N 44 113.961 113.961 117.820 -3.859 18374 1072 1 4 . 1 1 44 44 THR HA H 44 4.424 4.424 4.406 0.018 18374 1073 1 4 . 1 1 44 44 THR CA C 44 62.074 62.074 62.999 -0.925 18374 1074 1 4 . 1 1 44 44 THR CB C 44 70.259 70.259 69.320 0.938 18374 1075 1 4 . 1 1 44 44 THR H H 44 7.971 7.971 7.930 0.041 18374 1076 1 4 . 1 1 45 45 SER N N 45 120.467 120.467 120.302 0.165 18374 1077 1 4 . 1 1 45 45 SER HA H 45 4.280 4.280 4.626 -0.346 18374 1078 1 4 . 1 1 45 45 SER CA C 45 58.274 58.274 57.525 0.749 18374 1079 1 4 . 1 1 45 45 SER CB C 45 63.906 63.906 64.461 -0.555 18374 1080 1 4 . 1 1 45 45 SER H H 45 8.644 8.644 8.576 0.068 18374 1081 1 4 . 1 1 46 46 ARG N N 46 124.196 124.196 124.210 -0.014 18374 1082 1 4 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.063 0.857 18374 1083 1 4 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.563 -0.411 18374 1084 1 4 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.416 0.486 18374 1085 1 4 . 1 1 46 46 ARG H H 46 8.197 8.197 8.194 0.003 18374 1086 1 4 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.406 -0.108 18374 1087 1 4 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.124 0.694 18374 1088 1 4 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.599 -0.413 18374 1089 1 4 . 1 1 48 48 GLY N N 48 108.071 108.071 107.040 1.031 18374 1090 1 4 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.727 -0.048 18374 1091 1 4 . 1 1 48 48 GLY H H 48 8.492 8.492 8.377 0.115 18374 1092 1 4 . 1 1 49 49 THR N N 49 111.151 111.151 112.246 -1.095 18374 1093 1 4 . 1 1 49 49 THR HA H 49 4.377 4.377 4.450 -0.073 18374 1094 1 4 . 1 1 49 49 THR CA C 49 60.690 60.690 60.806 -0.116 18374 1095 1 4 . 1 1 49 49 THR CB C 49 70.332 70.332 70.007 0.325 18374 1096 1 4 . 1 1 49 49 THR H H 49 7.669 7.669 7.335 0.334 18374 1097 1 4 . 1 1 50 50 GLY N N 50 110.491 110.491 114.367 -3.876 18374 1098 1 4 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.807 1.374 18374 1099 1 4 . 1 1 50 50 GLY H H 50 8.459 8.459 8.529 -0.070 18374 1100 1 4 . 1 1 51 51 LEU N N 51 121.407 121.407 121.481 -0.074 18374 1101 1 4 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.526 -0.244 18374 1102 1 4 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.115 1.253 18374 1103 1 4 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.821 0.998 18374 1104 1 4 . 1 1 51 51 LEU H H 51 8.248 8.248 8.011 0.237 18374 1105 1 4 . 1 1 52 52 ARG N N 52 124.997 124.997 122.950 2.047 18374 1106 1 4 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.738 1.109 18374 1107 1 4 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.533 -0.402 18374 1108 1 4 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.762 1.223 18374 1109 1 4 . 1 1 52 52 ARG H H 52 8.639 8.639 8.723 -0.084 18374 1110 1 4 . 1 1 53 53 CYS N N 53 120.743 120.743 121.378 -0.635 18374 1111 1 4 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.269 0.224 18374 1112 1 4 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.366 -0.162 18374 1113 1 4 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.421 2.358 18374 1114 1 4 . 1 1 53 53 CYS H H 53 8.933 8.933 8.443 0.490 18374 1115 1 4 . 1 1 54 54 ARG N N 54 121.407 121.407 120.039 1.368 18374 1116 1 4 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.863 -0.053 18374 1117 1 4 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.656 0.731 18374 1118 1 4 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.639 -0.756 18374 1119 1 4 . 1 1 54 54 ARG H H 54 10.380 10.380 8.688 1.692 18374 1120 1 4 . 1 1 55 55 SER N N 55 117.300 117.300 113.643 3.657 18374 1121 1 4 . 1 1 55 55 SER HA H 55 4.258 4.258 4.363 -0.105 18374 1122 1 4 . 1 1 55 55 SER CA C 55 61.216 61.216 60.799 0.417 18374 1123 1 4 . 1 1 55 55 SER CB C 55 62.830 62.830 63.178 -0.348 18374 1124 1 4 . 1 1 55 55 SER H H 55 8.228 8.228 8.043 0.185 18374 1125 1 4 . 1 1 56 56 CYS N N 56 122.602 122.602 120.146 2.456 18374 1126 1 4 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.412 -0.226 18374 1127 1 4 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.058 0.184 18374 1128 1 4 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.483 3.433 18374 1129 1 4 . 1 1 56 56 CYS H H 56 7.999 7.999 7.631 0.368 18374 1130 1 4 . 1 1 57 57 SER N N 57 115.430 115.430 114.729 0.701 18374 1131 1 4 . 1 1 57 57 SER HA H 57 4.266 4.266 4.473 -0.207 18374 1132 1 4 . 1 1 57 57 SER CA C 57 59.992 59.992 58.992 1.000 18374 1133 1 4 . 1 1 57 57 SER CB C 57 63.492 63.492 62.384 1.108 18374 1134 1 4 . 1 1 57 57 SER H H 57 7.938 7.938 7.713 0.225 18374 1135 1 4 . 1 1 58 58 GLY N N 58 109.391 109.391 109.591 -0.200 18374 1136 1 4 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.857 -0.431 18374 1137 1 4 . 1 1 58 58 GLY H H 58 8.013 8.013 7.483 0.530 18374 1138 1 4 . 1 1 59 59 ASP N N 59 120.345 120.345 122.057 -1.712 18374 1139 1 4 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.793 -0.202 18374 1140 1 4 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.005 1.287 18374 1141 1 4 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.294 0.789 18374 1142 1 4 . 1 1 59 59 ASP H H 59 8.130 8.130 7.960 0.170 18374 1143 1 4 . 1 1 60 60 VAL N N 60 119.548 119.548 122.560 -3.012 18374 1144 1 4 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.536 -0.378 18374 1145 1 4 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.154 0.761 18374 1146 1 4 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.028 -1.513 18374 1147 1 4 . 1 1 60 60 VAL H H 60 8.072 8.072 7.676 0.396 18374 1148 1 4 . 1 1 61 61 THR N N 61 121.407 121.407 125.621 -4.214 18374 1149 1 4 . 1 1 61 61 THR HA H 61 4.509 4.509 4.665 -0.156 18374 1150 1 4 . 1 1 61 61 THR CA C 61 59.848 59.848 59.682 0.166 18374 1151 1 4 . 1 1 61 61 THR CB C 61 69.602 69.602 68.929 0.673 18374 1152 1 4 . 1 1 61 61 THR H H 61 8.335 8.335 8.310 0.025 18374 1153 1 4 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.386 -0.024 18374 1154 1 4 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.940 -0.036 18374 1155 1 4 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.349 -0.400 18374 1156 1 4 . 1 1 63 63 ALA N N 63 125.923 125.923 127.770 -1.847 18374 1157 1 4 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.550 -0.012 18374 1158 1 4 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.582 -0.314 18374 1159 1 4 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.626 -1.926 18374 1160 1 4 . 1 1 63 63 ALA H H 63 8.368 8.368 8.295 0.073 18374 1161 1 4 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.489 -0.079 18374 1162 1 4 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.929 -0.032 18374 1163 1 4 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.869 2.055 18374 1164 1 4 . 1 1 65 65 VAL N N 65 120.526 120.526 115.847 4.679 18374 1165 1 4 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.457 -0.384 18374 1166 1 4 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.398 1.928 18374 1167 1 4 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.750 -1.670 18374 1168 1 4 . 1 1 65 65 VAL H H 65 8.270 8.270 7.981 0.289 18374 1169 1 5 . 1 1 2 2 ALA N N 2 123.688 123.688 123.889 -0.201 18374 1170 1 5 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.459 -0.161 18374 1171 1 5 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.815 0.895 18374 1172 1 5 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.483 -0.248 18374 1173 1 5 . 1 1 2 2 ALA H H 2 8.653 8.653 8.146 0.507 18374 1174 1 5 . 1 1 3 3 MET N N 3 119.289 119.289 125.022 -5.733 18374 1175 1 5 . 1 1 3 3 MET HA H 3 4.426 4.426 4.469 -0.043 18374 1176 1 5 . 1 1 3 3 MET CA C 3 55.430 55.430 53.321 2.109 18374 1177 1 5 . 1 1 3 3 MET CB C 3 32.532 32.532 31.910 0.622 18374 1178 1 5 . 1 1 3 3 MET H H 3 8.545 8.545 8.896 -0.351 18374 1179 1 5 . 1 1 4 4 GLU N N 4 122.149 122.149 123.753 -1.604 18374 1180 1 5 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.444 -0.200 18374 1181 1 5 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.883 1.148 18374 1182 1 5 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.732 2.274 18374 1183 1 5 . 1 1 4 4 GLU H H 4 8.440 8.440 8.151 0.289 18374 1184 1 5 . 1 1 5 5 GLY N N 5 110.051 110.051 110.562 -0.511 18374 1185 1 5 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.504 -0.096 18374 1186 1 5 . 1 1 5 5 GLY H H 5 8.500 8.500 7.849 0.651 18374 1187 1 5 . 1 1 6 6 GLN N N 6 119.509 119.509 120.373 -0.864 18374 1188 1 5 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.077 0.209 18374 1189 1 5 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.553 0.447 18374 1190 1 5 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.717 0.491 18374 1191 1 5 . 1 1 6 6 GLN H H 6 8.242 8.242 8.438 -0.196 18374 1192 1 5 . 1 1 7 7 GLN N N 7 121.049 121.049 119.746 1.303 18374 1193 1 5 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.154 0.107 18374 1194 1 5 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.751 0.353 18374 1195 1 5 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.059 1.145 18374 1196 1 5 . 1 1 7 7 GLN H H 7 8.534 8.534 8.280 0.254 18374 1197 1 5 . 1 1 8 8 ASN N N 8 119.289 119.289 118.851 0.438 18374 1198 1 5 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.850 -0.205 18374 1199 1 5 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.668 0.439 18374 1200 1 5 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.097 0.422 18374 1201 1 5 . 1 1 8 8 ASN H H 8 8.486 8.486 8.294 0.192 18374 1202 1 5 . 1 1 9 9 LEU N N 9 122.204 122.204 123.429 -1.225 18374 1203 1 5 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.695 -0.404 18374 1204 1 5 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.034 0.682 18374 1205 1 5 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.998 -0.601 18374 1206 1 5 . 1 1 9 9 LEU H H 9 8.145 8.145 8.314 -0.169 18374 1207 1 5 . 1 1 10 10 ALA N N 10 126.188 126.188 127.420 -1.232 18374 1208 1 5 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.750 -0.218 18374 1209 1 5 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.154 0.183 18374 1210 1 5 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.163 -1.370 18374 1211 1 5 . 1 1 10 10 ALA H H 10 8.324 8.324 8.327 -0.003 18374 1212 1 5 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.419 -0.055 18374 1213 1 5 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.018 0.890 18374 1214 1 5 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.679 2.190 18374 1215 1 5 . 1 1 12 12 GLY N N 12 108.951 108.951 110.758 -1.807 18374 1216 1 5 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.178 0.043 18374 1217 1 5 . 1 1 12 12 GLY H H 12 8.501 8.501 8.389 0.112 18374 1218 1 5 . 1 1 13 13 ALA N N 13 123.134 123.134 121.635 1.499 18374 1219 1 5 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.605 -0.371 18374 1220 1 5 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.617 0.492 18374 1221 1 5 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.887 -0.363 18374 1222 1 5 . 1 1 13 13 ALA H H 13 7.957 7.957 7.818 0.139 18374 1223 1 5 . 1 1 14 14 ARG N N 14 116.759 116.759 121.122 -4.363 18374 1224 1 5 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.471 -0.352 18374 1225 1 5 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.910 -1.100 18374 1226 1 5 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.438 -0.985 18374 1227 1 5 . 1 1 14 14 ARG H H 14 7.990 7.990 7.769 0.221 18374 1228 1 5 . 1 1 15 15 CYS N N 15 123.688 123.688 125.198 -1.510 18374 1229 1 5 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.590 -0.573 18374 1230 1 5 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.433 -0.323 18374 1231 1 5 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.207 4.850 18374 1232 1 5 . 1 1 15 15 CYS H H 15 7.646 7.646 8.943 -1.297 18374 1233 1 5 . 1 1 16 16 GLY N N 16 117.749 117.749 115.986 1.763 18374 1234 1 5 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.725 0.060 18374 1235 1 5 . 1 1 16 16 GLY H H 16 8.916 8.916 8.943 -0.027 18374 1236 1 5 . 1 1 17 17 VAL N N 17 122.602 122.602 121.742 0.860 18374 1237 1 5 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.792 0.222 18374 1238 1 5 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.830 0.201 18374 1239 1 5 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.835 1.005 18374 1240 1 5 . 1 1 17 17 VAL H H 17 8.856 8.856 8.029 0.827 18374 1241 1 5 . 1 1 18 18 CYS N N 18 115.430 115.430 113.815 1.615 18374 1242 1 5 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.953 -0.027 18374 1243 1 5 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.455 -0.276 18374 1244 1 5 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.613 0.998 18374 1245 1 5 . 1 1 18 18 CYS H H 18 7.758 7.758 8.042 -0.284 18374 1246 1 5 . 1 1 19 19 GLY N N 19 113.040 113.040 111.153 1.887 18374 1247 1 5 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.915 1.442 18374 1248 1 5 . 1 1 19 19 GLY H H 19 8.029 8.029 8.445 -0.416 18374 1249 1 5 . 1 1 20 20 ASP N N 20 123.399 123.399 121.381 2.018 18374 1250 1 5 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.782 0.225 18374 1251 1 5 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.393 0.121 18374 1252 1 5 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.603 1.939 18374 1253 1 5 . 1 1 20 20 ASP H H 20 8.722 8.722 7.716 1.006 18374 1254 1 5 . 1 1 21 21 GLY N N 21 111.371 111.371 110.705 0.666 18374 1255 1 5 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.489 0.618 18374 1256 1 5 . 1 1 21 21 GLY H H 21 8.667 8.667 8.526 0.141 18374 1257 1 5 . 1 1 22 22 THR N N 22 118.220 118.220 119.991 -1.771 18374 1258 1 5 . 1 1 22 22 THR HA H 22 3.979 3.979 4.338 -0.359 18374 1259 1 5 . 1 1 22 22 THR CA C 22 64.367 64.367 63.846 0.521 18374 1260 1 5 . 1 1 22 22 THR CB C 22 67.783 67.783 68.990 -1.207 18374 1261 1 5 . 1 1 22 22 THR H H 22 8.784 8.784 8.098 0.686 18374 1262 1 5 . 1 1 23 23 ASP N N 23 127.251 127.251 124.410 2.841 18374 1263 1 5 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.302 -0.001 18374 1264 1 5 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.365 0.062 18374 1265 1 5 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.697 -0.658 18374 1266 1 5 . 1 1 23 23 ASP H H 23 9.376 9.376 8.883 0.493 18374 1267 1 5 . 1 1 24 24 VAL N N 24 111.371 111.371 112.682 -1.311 18374 1268 1 5 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.411 -0.851 18374 1269 1 5 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.899 0.817 18374 1270 1 5 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.923 -0.631 18374 1271 1 5 . 1 1 24 24 VAL H H 24 7.402 7.402 8.037 -0.635 18374 1272 1 5 . 1 1 25 25 LEU N N 25 123.908 123.908 125.432 -1.524 18374 1273 1 5 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.441 -0.102 18374 1274 1 5 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.306 -1.784 18374 1275 1 5 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.691 -0.249 18374 1276 1 5 . 1 1 25 25 LEU H H 25 8.328 8.328 8.572 -0.244 18374 1277 1 5 . 1 1 26 26 ARG N N 26 116.626 116.626 120.698 -4.072 18374 1278 1 5 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.218 -0.117 18374 1279 1 5 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.747 -2.092 18374 1280 1 5 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.192 0.476 18374 1281 1 5 . 1 1 26 26 ARG H H 26 7.877 7.877 8.152 -0.276 18374 1282 1 5 . 1 1 27 27 CYS N N 27 126.328 126.328 124.809 1.519 18374 1283 1 5 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.746 -0.431 18374 1284 1 5 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.287 1.111 18374 1285 1 5 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.662 2.005 18374 1286 1 5 . 1 1 27 27 CYS H H 27 9.182 9.182 8.619 0.563 18374 1287 1 5 . 1 1 28 28 THR N N 28 122.470 122.470 121.341 1.129 18374 1288 1 5 . 1 1 28 28 THR HA H 28 4.166 4.166 4.354 -0.188 18374 1289 1 5 . 1 1 28 28 THR CA C 28 64.686 64.686 63.965 0.720 18374 1290 1 5 . 1 1 28 28 THR CB C 28 69.846 69.846 69.328 0.518 18374 1291 1 5 . 1 1 28 28 THR H H 28 8.956 8.956 9.081 -0.125 18374 1292 1 5 . 1 1 29 29 HIS N N 29 123.908 123.908 119.276 4.632 18374 1293 1 5 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.594 0.315 18374 1294 1 5 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.259 0.845 18374 1295 1 5 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.894 -0.349 18374 1296 1 5 . 1 1 29 29 HIS H H 29 9.464 9.464 8.590 0.874 18374 1297 1 5 . 1 1 30 30 CYS N N 30 119.946 119.946 114.581 5.365 18374 1298 1 5 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.890 -0.079 18374 1299 1 5 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.076 3.014 18374 1300 1 5 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.034 1.864 18374 1301 1 5 . 1 1 30 30 CYS H H 30 8.710 8.710 7.754 0.956 18374 1302 1 5 . 1 1 31 31 ALA N N 31 120.477 120.477 124.288 -3.811 18374 1303 1 5 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.557 -0.273 18374 1304 1 5 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.823 2.667 18374 1305 1 5 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.924 -1.506 18374 1306 1 5 . 1 1 31 31 ALA H H 31 7.626 7.626 8.488 -0.862 18374 1307 1 5 . 1 1 32 32 ALA N N 32 125.524 125.524 125.997 -0.473 18374 1308 1 5 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.561 -0.315 18374 1309 1 5 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.643 1.197 18374 1310 1 5 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.557 -1.223 18374 1311 1 5 . 1 1 32 32 ALA H H 32 9.152 9.152 8.415 0.737 18374 1312 1 5 . 1 1 33 33 ALA N N 33 123.257 123.257 127.712 -4.455 18374 1313 1 5 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.614 -0.204 18374 1314 1 5 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.524 -0.718 18374 1315 1 5 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.470 0.158 18374 1316 1 5 . 1 1 33 33 ALA H H 33 8.490 8.490 8.465 0.025 18374 1317 1 5 . 1 1 34 34 PHE N N 34 118.220 118.220 120.090 -1.870 18374 1318 1 5 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.911 0.163 18374 1319 1 5 . 1 1 34 34 PHE CA C 34 55.762 55.762 55.867 -0.105 18374 1320 1 5 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.257 -2.035 18374 1321 1 5 . 1 1 34 34 PHE H H 34 8.948 8.948 8.757 0.191 18374 1322 1 5 . 1 1 35 35 HIS N N 35 116.759 116.759 120.559 -3.800 18374 1323 1 5 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.879 0.007 18374 1324 1 5 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.850 1.288 18374 1325 1 5 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.340 0.683 18374 1326 1 5 . 1 1 35 35 HIS H H 35 7.932 7.932 8.113 -0.181 18374 1327 1 5 . 1 1 36 36 TRP N N 36 127.649 127.649 127.240 0.409 18374 1328 1 5 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.607 -0.169 18374 1329 1 5 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.741 0.632 18374 1330 1 5 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.866 -0.542 18374 1331 1 5 . 1 1 36 36 TRP H H 36 9.421 9.421 9.264 0.157 18374 1332 1 5 . 1 1 37 37 ARG N N 37 113.040 113.040 116.405 -3.365 18374 1333 1 5 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.728 -0.324 18374 1334 1 5 . 1 1 37 37 ARG CA C 37 57.473 57.473 57.569 -0.096 18374 1335 1 5 . 1 1 37 37 ARG CB C 37 29.167 29.167 28.931 0.236 18374 1336 1 5 . 1 1 37 37 ARG H H 37 9.075 9.075 8.737 0.338 18374 1337 1 5 . 1 1 38 38 CYS N N 38 116.493 116.493 115.992 0.501 18374 1338 1 5 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.577 -0.359 18374 1339 1 5 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.942 2.517 18374 1340 1 5 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.158 2.518 18374 1341 1 5 . 1 1 38 38 CYS H H 38 7.169 7.169 8.048 -0.879 18374 1342 1 5 . 1 1 39 39 HIS N N 39 118.220 118.220 116.911 1.309 18374 1343 1 5 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.513 -0.290 18374 1344 1 5 . 1 1 39 39 HIS CA C 39 58.476 58.476 58.346 0.130 18374 1345 1 5 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.750 3.590 18374 1346 1 5 . 1 1 39 39 HIS H H 39 7.562 7.562 7.688 -0.126 18374 1347 1 5 . 1 1 40 40 PHE N N 40 117.157 117.157 117.240 -0.083 18374 1348 1 5 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.729 0.054 18374 1349 1 5 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.509 -2.850 18374 1350 1 5 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.753 -0.946 18374 1351 1 5 . 1 1 40 40 PHE H H 40 8.282 8.282 8.563 -0.281 18374 1352 1 5 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.558 -0.071 18374 1353 1 5 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.410 0.809 18374 1354 1 5 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.666 -0.451 18374 1355 1 5 . 1 1 42 42 ALA N N 42 123.001 123.001 122.253 0.748 18374 1356 1 5 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.102 0.256 18374 1357 1 5 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.767 -1.754 18374 1358 1 5 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.636 0.005 18374 1359 1 5 . 1 1 42 42 ALA H H 42 8.635 8.635 8.543 0.092 18374 1360 1 5 . 1 1 43 43 GLY N N 43 108.291 108.291 104.564 3.727 18374 1361 1 5 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.649 -0.183 18374 1362 1 5 . 1 1 43 43 GLY H H 43 8.529 8.529 8.409 0.120 18374 1363 1 5 . 1 1 44 44 THR N N 44 113.961 113.961 118.631 -4.670 18374 1364 1 5 . 1 1 44 44 THR HA H 44 4.424 4.424 4.562 -0.138 18374 1365 1 5 . 1 1 44 44 THR CA C 44 62.074 62.074 63.056 -0.982 18374 1366 1 5 . 1 1 44 44 THR CB C 44 70.259 70.259 70.024 0.235 18374 1367 1 5 . 1 1 44 44 THR H H 44 7.971 7.971 7.546 0.425 18374 1368 1 5 . 1 1 45 45 SER N N 45 120.467 120.467 120.805 -0.338 18374 1369 1 5 . 1 1 45 45 SER HA H 45 4.280 4.280 4.646 -0.366 18374 1370 1 5 . 1 1 45 45 SER CA C 45 58.274 58.274 58.341 -0.067 18374 1371 1 5 . 1 1 45 45 SER CB C 45 63.906 63.906 64.210 -0.304 18374 1372 1 5 . 1 1 45 45 SER H H 45 8.644 8.644 8.629 0.015 18374 1373 1 5 . 1 1 46 46 ARG N N 46 124.196 124.196 125.613 -1.417 18374 1374 1 5 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.214 0.706 18374 1375 1 5 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.666 -0.514 18374 1376 1 5 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.412 0.490 18374 1377 1 5 . 1 1 46 46 ARG H H 46 8.197 8.197 8.276 -0.079 18374 1378 1 5 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.425 -0.127 18374 1379 1 5 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.194 0.624 18374 1380 1 5 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.364 -0.178 18374 1381 1 5 . 1 1 48 48 GLY N N 48 108.071 108.071 110.579 -2.508 18374 1382 1 5 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.736 -0.057 18374 1383 1 5 . 1 1 48 48 GLY H H 48 8.492 8.492 8.522 -0.030 18374 1384 1 5 . 1 1 49 49 THR N N 49 111.151 111.151 116.677 -5.526 18374 1385 1 5 . 1 1 49 49 THR HA H 49 4.377 4.377 4.343 0.034 18374 1386 1 5 . 1 1 49 49 THR CA C 49 60.690 60.690 61.699 -1.008 18374 1387 1 5 . 1 1 49 49 THR CB C 49 70.332 70.332 68.754 1.578 18374 1388 1 5 . 1 1 49 49 THR H H 49 7.669 7.669 7.620 0.049 18374 1389 1 5 . 1 1 50 50 GLY N N 50 110.491 110.491 115.772 -5.281 18374 1390 1 5 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.114 1.067 18374 1391 1 5 . 1 1 50 50 GLY H H 50 8.459 8.459 8.463 -0.004 18374 1392 1 5 . 1 1 51 51 LEU N N 51 121.407 121.407 120.833 0.574 18374 1393 1 5 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.289 -0.007 18374 1394 1 5 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.425 0.943 18374 1395 1 5 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.086 0.733 18374 1396 1 5 . 1 1 51 51 LEU H H 51 8.248 8.248 8.277 -0.029 18374 1397 1 5 . 1 1 52 52 ARG N N 52 124.997 124.997 124.117 0.880 18374 1398 1 5 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.935 0.912 18374 1399 1 5 . 1 1 52 52 ARG CA C 52 54.131 54.131 53.988 0.143 18374 1400 1 5 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.030 1.955 18374 1401 1 5 . 1 1 52 52 ARG H H 52 8.639 8.639 8.013 0.626 18374 1402 1 5 . 1 1 53 53 CYS N N 53 120.743 120.743 119.343 1.400 18374 1403 1 5 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.240 -0.747 18374 1404 1 5 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.456 -0.253 18374 1405 1 5 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.836 0.943 18374 1406 1 5 . 1 1 53 53 CYS H H 53 8.933 8.933 8.622 0.311 18374 1407 1 5 . 1 1 54 54 ARG N N 54 121.407 121.407 121.494 -0.087 18374 1408 1 5 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.046 -0.236 18374 1409 1 5 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.335 0.052 18374 1410 1 5 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.655 -0.772 18374 1411 1 5 . 1 1 54 54 ARG H H 54 10.380 10.380 8.436 1.944 18374 1412 1 5 . 1 1 55 55 SER N N 55 117.300 117.300 114.992 2.308 18374 1413 1 5 . 1 1 55 55 SER HA H 55 4.258 4.258 4.240 0.018 18374 1414 1 5 . 1 1 55 55 SER CA C 55 61.216 61.216 61.798 -0.582 18374 1415 1 5 . 1 1 55 55 SER CB C 55 62.830 62.830 62.526 0.304 18374 1416 1 5 . 1 1 55 55 SER H H 55 8.228 8.228 8.499 -0.271 18374 1417 1 5 . 1 1 56 56 CYS N N 56 122.602 122.602 119.071 3.531 18374 1418 1 5 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.297 -0.111 18374 1419 1 5 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.775 0.467 18374 1420 1 5 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.675 3.241 18374 1421 1 5 . 1 1 56 56 CYS H H 56 7.999 7.999 7.712 0.287 18374 1422 1 5 . 1 1 57 57 SER N N 57 115.430 115.430 112.973 2.457 18374 1423 1 5 . 1 1 57 57 SER HA H 57 4.266 4.266 4.381 -0.115 18374 1424 1 5 . 1 1 57 57 SER CA C 57 59.992 59.992 59.602 0.390 18374 1425 1 5 . 1 1 57 57 SER CB C 57 63.492 63.492 63.182 0.310 18374 1426 1 5 . 1 1 57 57 SER H H 57 7.938 7.938 8.132 -0.194 18374 1427 1 5 . 1 1 58 58 GLY N N 58 109.391 109.391 110.668 -1.277 18374 1428 1 5 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.635 0.791 18374 1429 1 5 . 1 1 58 58 GLY H H 58 8.013 8.013 7.413 0.600 18374 1430 1 5 . 1 1 59 59 ASP N N 59 120.345 120.345 118.004 2.341 18374 1431 1 5 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.703 -0.112 18374 1432 1 5 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.446 0.846 18374 1433 1 5 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.312 -1.229 18374 1434 1 5 . 1 1 59 59 ASP H H 59 8.130 8.130 8.126 0.004 18374 1435 1 5 . 1 1 60 60 VAL N N 60 119.548 119.548 113.663 5.885 18374 1436 1 5 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.477 -0.319 18374 1437 1 5 . 1 1 60 60 VAL CA C 60 61.915 61.915 60.806 1.109 18374 1438 1 5 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.556 1.959 18374 1439 1 5 . 1 1 60 60 VAL H H 60 8.072 8.072 8.144 -0.072 18374 1440 1 5 . 1 1 61 61 THR N N 61 121.407 121.407 116.885 4.522 18374 1441 1 5 . 1 1 61 61 THR HA H 61 4.509 4.509 4.532 -0.023 18374 1442 1 5 . 1 1 61 61 THR CA C 61 59.848 59.848 60.469 -0.621 18374 1443 1 5 . 1 1 61 61 THR CB C 61 69.602 69.602 68.943 0.659 18374 1444 1 5 . 1 1 61 61 THR H H 61 8.335 8.335 8.433 -0.098 18374 1445 1 5 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.472 -0.110 18374 1446 1 5 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.907 -0.004 18374 1447 1 5 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.377 -0.428 18374 1448 1 5 . 1 1 63 63 ALA N N 63 125.923 125.923 127.153 -1.230 18374 1449 1 5 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.568 -0.030 18374 1450 1 5 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.130 0.139 18374 1451 1 5 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.415 -1.715 18374 1452 1 5 . 1 1 63 63 ALA H H 63 8.368 8.368 8.271 0.097 18374 1453 1 5 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.397 0.013 18374 1454 1 5 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.303 -0.406 18374 1455 1 5 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.159 0.765 18374 1456 1 5 . 1 1 65 65 VAL N N 65 120.526 120.526 123.330 -2.804 18374 1457 1 5 . 1 1 65 65 VAL HA H 65 4.073 4.073 3.939 0.134 18374 1458 1 5 . 1 1 65 65 VAL CA C 65 62.326 62.326 63.275 -0.949 18374 1459 1 5 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.420 -0.340 18374 1460 1 5 . 1 1 65 65 VAL H H 65 8.270 8.270 8.561 -0.291 18374 1461 1 6 . 1 1 2 2 ALA N N 2 123.688 123.688 124.442 -0.754 18374 1462 1 6 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.168 0.130 18374 1463 1 6 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.915 -1.205 18374 1464 1 6 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.077 0.158 18374 1465 1 6 . 1 1 2 2 ALA H H 2 8.653 8.653 8.528 0.125 18374 1466 1 6 . 1 1 3 3 MET N N 3 119.289 119.289 114.030 5.259 18374 1467 1 6 . 1 1 3 3 MET HA H 3 4.426 4.426 4.406 0.020 18374 1468 1 6 . 1 1 3 3 MET CA C 3 55.430 55.430 56.374 -0.944 18374 1469 1 6 . 1 1 3 3 MET CB C 3 32.532 32.532 32.285 0.247 18374 1470 1 6 . 1 1 3 3 MET H H 3 8.545 8.545 7.740 0.805 18374 1471 1 6 . 1 1 4 4 GLU N N 4 122.149 122.149 121.901 0.248 18374 1472 1 6 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.329 -0.085 18374 1473 1 6 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.167 0.864 18374 1474 1 6 . 1 1 4 4 GLU CB C 4 30.006 30.006 28.387 1.619 18374 1475 1 6 . 1 1 4 4 GLU H H 4 8.440 8.440 7.705 0.735 18374 1476 1 6 . 1 1 5 5 GLY N N 5 110.051 110.051 111.058 -1.007 18374 1477 1 6 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.070 0.338 18374 1478 1 6 . 1 1 5 5 GLY H H 5 8.500 8.500 8.068 0.432 18374 1479 1 6 . 1 1 6 6 GLN N N 6 119.509 119.509 120.005 -0.496 18374 1480 1 6 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.153 0.133 18374 1481 1 6 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.664 -1.664 18374 1482 1 6 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.698 0.510 18374 1483 1 6 . 1 1 6 6 GLN H H 6 8.242 8.242 8.674 -0.432 18374 1484 1 6 . 1 1 7 7 GLN N N 7 121.049 121.049 116.948 4.101 18374 1485 1 6 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.459 -0.198 18374 1486 1 6 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.298 0.806 18374 1487 1 6 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.237 0.967 18374 1488 1 6 . 1 1 7 7 GLN H H 7 8.534 8.534 8.238 0.296 18374 1489 1 6 . 1 1 8 8 ASN N N 8 119.289 119.289 118.765 0.524 18374 1490 1 6 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.775 -0.130 18374 1491 1 6 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.277 -0.170 18374 1492 1 6 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.262 -0.743 18374 1493 1 6 . 1 1 8 8 ASN H H 8 8.486 8.486 7.950 0.536 18374 1494 1 6 . 1 1 9 9 LEU N N 9 122.204 122.204 122.597 -0.393 18374 1495 1 6 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.527 -0.236 18374 1496 1 6 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.264 1.452 18374 1497 1 6 . 1 1 9 9 LEU CB C 9 42.397 42.397 39.700 2.697 18374 1498 1 6 . 1 1 9 9 LEU H H 9 8.145 8.145 7.796 0.349 18374 1499 1 6 . 1 1 10 10 ALA N N 10 126.188 126.188 127.575 -1.387 18374 1500 1 6 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.466 0.066 18374 1501 1 6 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.473 -0.136 18374 1502 1 6 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.871 -1.078 18374 1503 1 6 . 1 1 10 10 ALA H H 10 8.324 8.324 7.914 0.410 18374 1504 1 6 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.279 0.085 18374 1505 1 6 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.460 0.448 18374 1506 1 6 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.068 0.801 18374 1507 1 6 . 1 1 12 12 GLY N N 12 108.951 108.951 111.105 -2.154 18374 1508 1 6 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.073 0.148 18374 1509 1 6 . 1 1 12 12 GLY H H 12 8.501 8.501 8.008 0.493 18374 1510 1 6 . 1 1 13 13 ALA N N 13 123.134 123.134 125.297 -2.163 18374 1511 1 6 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.609 -0.375 18374 1512 1 6 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.941 0.168 18374 1513 1 6 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.268 1.257 18374 1514 1 6 . 1 1 13 13 ALA H H 13 7.957 7.957 8.091 -0.134 18374 1515 1 6 . 1 1 14 14 ARG N N 14 116.759 116.759 120.263 -3.504 18374 1516 1 6 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.580 -0.461 18374 1517 1 6 . 1 1 14 14 ARG CA C 14 53.810 53.810 53.921 -0.111 18374 1518 1 6 . 1 1 14 14 ARG CB C 14 32.453 32.453 31.758 0.695 18374 1519 1 6 . 1 1 14 14 ARG H H 14 7.990 7.990 7.731 0.259 18374 1520 1 6 . 1 1 15 15 CYS N N 15 123.688 123.688 122.496 1.192 18374 1521 1 6 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.595 -0.578 18374 1522 1 6 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.620 -0.509 18374 1523 1 6 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.540 4.517 18374 1524 1 6 . 1 1 15 15 CYS H H 15 7.646 7.646 8.448 -0.802 18374 1525 1 6 . 1 1 16 16 GLY N N 16 117.749 117.749 116.325 1.424 18374 1526 1 6 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.230 -0.445 18374 1527 1 6 . 1 1 16 16 GLY H H 16 8.916 8.916 9.076 -0.160 18374 1528 1 6 . 1 1 17 17 VAL N N 17 122.602 122.602 120.430 2.172 18374 1529 1 6 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.956 0.058 18374 1530 1 6 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.507 0.524 18374 1531 1 6 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.858 0.982 18374 1532 1 6 . 1 1 17 17 VAL H H 17 8.856 8.856 8.021 0.835 18374 1533 1 6 . 1 1 18 18 CYS N N 18 115.430 115.430 116.717 -1.287 18374 1534 1 6 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.719 0.207 18374 1535 1 6 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.514 -1.335 18374 1536 1 6 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.468 1.143 18374 1537 1 6 . 1 1 18 18 CYS H H 18 7.758 7.758 8.097 -0.339 18374 1538 1 6 . 1 1 19 19 GLY N N 19 113.040 113.040 109.223 3.817 18374 1539 1 6 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.237 1.120 18374 1540 1 6 . 1 1 19 19 GLY H H 19 8.029 8.029 8.741 -0.712 18374 1541 1 6 . 1 1 20 20 ASP N N 20 123.399 123.399 120.370 3.029 18374 1542 1 6 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.861 0.146 18374 1543 1 6 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.136 0.378 18374 1544 1 6 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.815 0.727 18374 1545 1 6 . 1 1 20 20 ASP H H 20 8.722 8.722 7.514 1.208 18374 1546 1 6 . 1 1 21 21 GLY N N 21 111.371 111.371 109.198 2.173 18374 1547 1 6 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.248 0.859 18374 1548 1 6 . 1 1 21 21 GLY H H 21 8.667 8.667 8.608 0.059 18374 1549 1 6 . 1 1 22 22 THR N N 22 118.220 118.220 118.736 -0.516 18374 1550 1 6 . 1 1 22 22 THR HA H 22 3.979 3.979 4.279 -0.300 18374 1551 1 6 . 1 1 22 22 THR CA C 22 64.367 64.367 64.318 0.049 18374 1552 1 6 . 1 1 22 22 THR CB C 22 67.783 67.783 69.223 -1.440 18374 1553 1 6 . 1 1 22 22 THR H H 22 8.784 8.784 8.682 0.102 18374 1554 1 6 . 1 1 23 23 ASP N N 23 127.251 127.251 123.111 4.140 18374 1555 1 6 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.258 0.043 18374 1556 1 6 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.060 0.367 18374 1557 1 6 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.167 -1.128 18374 1558 1 6 . 1 1 23 23 ASP H H 23 9.376 9.376 8.865 0.511 18374 1559 1 6 . 1 1 24 24 VAL N N 24 111.371 111.371 117.920 -6.549 18374 1560 1 6 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.312 -0.752 18374 1561 1 6 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.693 0.023 18374 1562 1 6 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.510 -1.218 18374 1563 1 6 . 1 1 24 24 VAL H H 24 7.402 7.402 7.830 -0.428 18374 1564 1 6 . 1 1 25 25 LEU N N 25 123.908 123.908 127.827 -3.919 18374 1565 1 6 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.528 -0.189 18374 1566 1 6 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.537 -1.015 18374 1567 1 6 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.529 -1.087 18374 1568 1 6 . 1 1 25 25 LEU H H 25 8.328 8.328 8.502 -0.174 18374 1569 1 6 . 1 1 26 26 ARG N N 26 116.626 116.626 121.345 -4.719 18374 1570 1 6 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.189 -0.088 18374 1571 1 6 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.528 -1.873 18374 1572 1 6 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.754 -0.086 18374 1573 1 6 . 1 1 26 26 ARG H H 26 7.877 7.877 8.136 -0.259 18374 1574 1 6 . 1 1 27 27 CYS N N 27 126.328 126.328 125.904 0.424 18374 1575 1 6 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.914 -0.599 18374 1576 1 6 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.662 1.736 18374 1577 1 6 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.316 1.351 18374 1578 1 6 . 1 1 27 27 CYS H H 27 9.182 9.182 8.458 0.724 18374 1579 1 6 . 1 1 28 28 THR N N 28 122.470 122.470 121.589 0.881 18374 1580 1 6 . 1 1 28 28 THR HA H 28 4.166 4.166 4.383 -0.217 18374 1581 1 6 . 1 1 28 28 THR CA C 28 64.686 64.686 64.371 0.315 18374 1582 1 6 . 1 1 28 28 THR CB C 28 69.846 69.846 69.084 0.762 18374 1583 1 6 . 1 1 28 28 THR H H 28 8.956 8.956 9.037 -0.081 18374 1584 1 6 . 1 1 29 29 HIS N N 29 123.908 123.908 119.604 4.304 18374 1585 1 6 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.615 0.294 18374 1586 1 6 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.192 0.912 18374 1587 1 6 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.882 -0.337 18374 1588 1 6 . 1 1 29 29 HIS H H 29 9.464 9.464 8.722 0.742 18374 1589 1 6 . 1 1 30 30 CYS N N 30 119.946 119.946 114.960 4.986 18374 1590 1 6 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.894 -0.083 18374 1591 1 6 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.114 2.976 18374 1592 1 6 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.026 1.872 18374 1593 1 6 . 1 1 30 30 CYS H H 30 8.710 8.710 7.765 0.945 18374 1594 1 6 . 1 1 31 31 ALA N N 31 120.477 120.477 124.292 -3.815 18374 1595 1 6 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.554 -0.270 18374 1596 1 6 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.765 2.725 18374 1597 1 6 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.028 -1.610 18374 1598 1 6 . 1 1 31 31 ALA H H 31 7.626 7.626 8.502 -0.876 18374 1599 1 6 . 1 1 32 32 ALA N N 32 125.524 125.524 125.461 0.063 18374 1600 1 6 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.547 -0.301 18374 1601 1 6 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.595 1.245 18374 1602 1 6 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.957 -1.623 18374 1603 1 6 . 1 1 32 32 ALA H H 32 9.152 9.152 8.356 0.796 18374 1604 1 6 . 1 1 33 33 ALA N N 33 123.257 123.257 127.680 -4.423 18374 1605 1 6 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.596 -0.186 18374 1606 1 6 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.205 -0.399 18374 1607 1 6 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.894 -0.266 18374 1608 1 6 . 1 1 33 33 ALA H H 33 8.490 8.490 8.610 -0.120 18374 1609 1 6 . 1 1 34 34 PHE N N 34 118.220 118.220 119.824 -1.604 18374 1610 1 6 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.873 0.201 18374 1611 1 6 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.120 -0.358 18374 1612 1 6 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.163 -1.941 18374 1613 1 6 . 1 1 34 34 PHE H H 34 8.948 8.948 8.562 0.386 18374 1614 1 6 . 1 1 35 35 HIS N N 35 116.759 116.759 121.099 -4.340 18374 1615 1 6 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.903 -0.017 18374 1616 1 6 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.726 1.412 18374 1617 1 6 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.441 0.582 18374 1618 1 6 . 1 1 35 35 HIS H H 35 7.932 7.932 8.144 -0.212 18374 1619 1 6 . 1 1 36 36 TRP N N 36 127.649 127.649 126.499 1.150 18374 1620 1 6 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.599 -0.161 18374 1621 1 6 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.940 0.433 18374 1622 1 6 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.871 -0.547 18374 1623 1 6 . 1 1 36 36 TRP H H 36 9.421 9.421 9.192 0.229 18374 1624 1 6 . 1 1 37 37 ARG N N 37 113.040 113.040 117.043 -4.003 18374 1625 1 6 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.259 0.145 18374 1626 1 6 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.266 -1.792 18374 1627 1 6 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.817 -0.650 18374 1628 1 6 . 1 1 37 37 ARG H H 37 9.075 9.075 8.735 0.340 18374 1629 1 6 . 1 1 38 38 CYS N N 38 116.493 116.493 115.119 1.374 18374 1630 1 6 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.469 -0.251 18374 1631 1 6 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.812 1.647 18374 1632 1 6 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.467 3.209 18374 1633 1 6 . 1 1 38 38 CYS H H 38 7.169 7.169 8.004 -0.835 18374 1634 1 6 . 1 1 39 39 HIS N N 39 118.220 118.220 117.577 0.643 18374 1635 1 6 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.356 -0.133 18374 1636 1 6 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.894 0.582 18374 1637 1 6 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.961 3.379 18374 1638 1 6 . 1 1 39 39 HIS H H 39 7.562 7.562 7.513 0.049 18374 1639 1 6 . 1 1 40 40 PHE N N 40 117.157 117.157 117.521 -0.364 18374 1640 1 6 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.781 0.002 18374 1641 1 6 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.467 -2.808 18374 1642 1 6 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.385 -0.578 18374 1643 1 6 . 1 1 40 40 PHE H H 40 8.282 8.282 8.281 0.001 18374 1644 1 6 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.626 -0.139 18374 1645 1 6 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.685 -0.466 18374 1646 1 6 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.843 0.372 18374 1647 1 6 . 1 1 42 42 ALA N N 42 123.001 123.001 121.331 1.670 18374 1648 1 6 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.368 -0.010 18374 1649 1 6 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.746 1.267 18374 1650 1 6 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.880 -0.239 18374 1651 1 6 . 1 1 42 42 ALA H H 42 8.635 8.635 8.228 0.407 18374 1652 1 6 . 1 1 43 43 GLY N N 43 108.291 108.291 108.145 0.146 18374 1653 1 6 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.828 0.638 18374 1654 1 6 . 1 1 43 43 GLY H H 43 8.529 8.529 7.916 0.613 18374 1655 1 6 . 1 1 44 44 THR N N 44 113.961 113.961 116.102 -2.141 18374 1656 1 6 . 1 1 44 44 THR HA H 44 4.424 4.424 4.195 0.229 18374 1657 1 6 . 1 1 44 44 THR CA C 44 62.074 62.074 63.182 -1.108 18374 1658 1 6 . 1 1 44 44 THR CB C 44 70.259 70.259 69.429 0.830 18374 1659 1 6 . 1 1 44 44 THR H H 44 7.971 7.971 7.923 0.048 18374 1660 1 6 . 1 1 45 45 SER N N 45 120.467 120.467 120.848 -0.381 18374 1661 1 6 . 1 1 45 45 SER HA H 45 4.280 4.280 4.760 -0.480 18374 1662 1 6 . 1 1 45 45 SER CA C 45 58.274 58.274 58.451 -0.177 18374 1663 1 6 . 1 1 45 45 SER CB C 45 63.906 63.906 64.012 -0.106 18374 1664 1 6 . 1 1 45 45 SER H H 45 8.644 8.644 8.540 0.104 18374 1665 1 6 . 1 1 46 46 ARG N N 46 124.196 124.196 125.724 -1.528 18374 1666 1 6 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.792 0.128 18374 1667 1 6 . 1 1 46 46 ARG CA C 46 53.152 53.152 54.146 -0.994 18374 1668 1 6 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.604 1.298 18374 1669 1 6 . 1 1 46 46 ARG H H 46 8.197 8.197 8.246 -0.049 18374 1670 1 6 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.440 -0.142 18374 1671 1 6 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.568 0.250 18374 1672 1 6 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.331 -0.145 18374 1673 1 6 . 1 1 48 48 GLY N N 48 108.071 108.071 108.148 -0.077 18374 1674 1 6 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.432 0.247 18374 1675 1 6 . 1 1 48 48 GLY H H 48 8.492 8.492 8.539 -0.047 18374 1676 1 6 . 1 1 49 49 THR N N 49 111.151 111.151 112.286 -1.135 18374 1677 1 6 . 1 1 49 49 THR HA H 49 4.377 4.377 4.454 -0.077 18374 1678 1 6 . 1 1 49 49 THR CA C 49 60.690 60.690 60.972 -0.282 18374 1679 1 6 . 1 1 49 49 THR CB C 49 70.332 70.332 68.727 1.605 18374 1680 1 6 . 1 1 49 49 THR H H 49 7.669 7.669 7.683 -0.014 18374 1681 1 6 . 1 1 50 50 GLY N N 50 110.491 110.491 109.118 1.373 18374 1682 1 6 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.598 1.583 18374 1683 1 6 . 1 1 50 50 GLY H H 50 8.459 8.459 7.244 1.215 18374 1684 1 6 . 1 1 51 51 LEU N N 51 121.407 121.407 122.759 -1.352 18374 1685 1 6 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.288 -0.006 18374 1686 1 6 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.411 0.957 18374 1687 1 6 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.332 0.487 18374 1688 1 6 . 1 1 51 51 LEU H H 51 8.248 8.248 8.368 -0.120 18374 1689 1 6 . 1 1 52 52 ARG N N 52 124.997 124.997 125.973 -0.976 18374 1690 1 6 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.930 0.917 18374 1691 1 6 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.744 -0.613 18374 1692 1 6 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.109 1.876 18374 1693 1 6 . 1 1 52 52 ARG H H 52 8.639 8.639 8.345 0.294 18374 1694 1 6 . 1 1 53 53 CYS N N 53 120.743 120.743 121.350 -0.607 18374 1695 1 6 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.911 -1.418 18374 1696 1 6 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.105 0.099 18374 1697 1 6 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.393 0.386 18374 1698 1 6 . 1 1 53 53 CYS H H 53 8.933 8.933 8.676 0.257 18374 1699 1 6 . 1 1 54 54 ARG N N 54 121.407 121.407 120.578 0.829 18374 1700 1 6 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.145 -0.335 18374 1701 1 6 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.609 -0.222 18374 1702 1 6 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.308 -0.425 18374 1703 1 6 . 1 1 54 54 ARG H H 54 10.380 10.380 8.738 1.642 18374 1704 1 6 . 1 1 55 55 SER N N 55 117.300 117.300 115.935 1.365 18374 1705 1 6 . 1 1 55 55 SER HA H 55 4.258 4.258 4.323 -0.065 18374 1706 1 6 . 1 1 55 55 SER CA C 55 61.216 61.216 61.173 0.043 18374 1707 1 6 . 1 1 55 55 SER CB C 55 62.830 62.830 62.816 0.014 18374 1708 1 6 . 1 1 55 55 SER H H 55 8.228 8.228 8.179 0.049 18374 1709 1 6 . 1 1 56 56 CYS N N 56 122.602 122.602 120.180 2.422 18374 1710 1 6 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.336 -0.150 18374 1711 1 6 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.778 0.465 18374 1712 1 6 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.192 3.724 18374 1713 1 6 . 1 1 56 56 CYS H H 56 7.999 7.999 8.009 -0.010 18374 1714 1 6 . 1 1 57 57 SER N N 57 115.430 115.430 114.345 1.085 18374 1715 1 6 . 1 1 57 57 SER HA H 57 4.266 4.266 4.505 -0.239 18374 1716 1 6 . 1 1 57 57 SER CA C 57 59.992 59.992 60.006 -0.014 18374 1717 1 6 . 1 1 57 57 SER CB C 57 63.492 63.492 63.760 -0.268 18374 1718 1 6 . 1 1 57 57 SER H H 57 7.938 7.938 8.162 -0.224 18374 1719 1 6 . 1 1 58 58 GLY N N 58 109.391 109.391 109.602 -0.211 18374 1720 1 6 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.540 0.886 18374 1721 1 6 . 1 1 58 58 GLY H H 58 8.013 8.013 7.417 0.596 18374 1722 1 6 . 1 1 59 59 ASP N N 59 120.345 120.345 127.361 -7.016 18374 1723 1 6 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.557 0.034 18374 1724 1 6 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.208 1.084 18374 1725 1 6 . 1 1 59 59 ASP CB C 59 41.083 41.083 39.155 1.928 18374 1726 1 6 . 1 1 59 59 ASP H H 59 8.130 8.130 8.526 -0.396 18374 1727 1 6 . 1 1 60 60 VAL N N 60 119.548 119.548 120.137 -0.589 18374 1728 1 6 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.228 -0.070 18374 1729 1 6 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.261 0.654 18374 1730 1 6 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.525 -2.010 18374 1731 1 6 . 1 1 60 60 VAL H H 60 8.072 8.072 7.453 0.619 18374 1732 1 6 . 1 1 61 61 THR N N 61 121.407 121.407 121.113 0.294 18374 1733 1 6 . 1 1 61 61 THR HA H 61 4.509 4.509 4.586 -0.077 18374 1734 1 6 . 1 1 61 61 THR CA C 61 59.848 59.848 60.781 -0.932 18374 1735 1 6 . 1 1 61 61 THR CB C 61 69.602 69.602 68.910 0.692 18374 1736 1 6 . 1 1 61 61 THR H H 61 8.335 8.335 8.076 0.259 18374 1737 1 6 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.489 -0.127 18374 1738 1 6 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.765 0.138 18374 1739 1 6 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.240 -0.291 18374 1740 1 6 . 1 1 63 63 ALA N N 63 125.923 125.923 127.228 -1.305 18374 1741 1 6 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.528 0.010 18374 1742 1 6 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.139 0.129 18374 1743 1 6 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.095 -1.395 18374 1744 1 6 . 1 1 63 63 ALA H H 63 8.368 8.368 8.283 0.085 18374 1745 1 6 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.416 -0.006 18374 1746 1 6 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.065 -0.168 18374 1747 1 6 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.725 1.199 18374 1748 1 6 . 1 1 65 65 VAL N N 65 120.526 120.526 125.515 -4.989 18374 1749 1 6 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.174 -0.101 18374 1750 1 6 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.512 -0.186 18374 1751 1 6 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.427 -0.347 18374 1752 1 6 . 1 1 65 65 VAL H H 65 8.270 8.270 8.152 0.118 18374 1753 1 7 . 1 1 2 2 ALA N N 2 123.688 123.688 122.693 0.995 18374 1754 1 7 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.867 -0.569 18374 1755 1 7 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.735 0.975 18374 1756 1 7 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.926 -0.691 18374 1757 1 7 . 1 1 2 2 ALA H H 2 8.653 8.653 8.262 0.391 18374 1758 1 7 . 1 1 3 3 MET N N 3 119.289 119.289 120.575 -1.286 18374 1759 1 7 . 1 1 3 3 MET HA H 3 4.426 4.426 4.693 -0.267 18374 1760 1 7 . 1 1 3 3 MET CA C 3 55.430 55.430 55.302 0.128 18374 1761 1 7 . 1 1 3 3 MET CB C 3 32.532 32.532 33.361 -0.829 18374 1762 1 7 . 1 1 3 3 MET H H 3 8.545 8.545 8.681 -0.136 18374 1763 1 7 . 1 1 4 4 GLU N N 4 122.149 122.149 123.142 -0.993 18374 1764 1 7 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.428 -0.184 18374 1765 1 7 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.886 1.145 18374 1766 1 7 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.481 2.525 18374 1767 1 7 . 1 1 4 4 GLU H H 4 8.440 8.440 8.405 0.035 18374 1768 1 7 . 1 1 5 5 GLY N N 5 110.051 110.051 110.256 -0.205 18374 1769 1 7 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.536 -0.128 18374 1770 1 7 . 1 1 5 5 GLY H H 5 8.500 8.500 8.000 0.500 18374 1771 1 7 . 1 1 6 6 GLN N N 6 119.509 119.509 117.358 2.151 18374 1772 1 7 . 1 1 6 6 GLN HA H 6 4.286 4.286 3.981 0.305 18374 1773 1 7 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.961 0.039 18374 1774 1 7 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.400 1.808 18374 1775 1 7 . 1 1 6 6 GLN H H 6 8.242 8.242 8.589 -0.347 18374 1776 1 7 . 1 1 7 7 GLN N N 7 121.049 121.049 118.680 2.369 18374 1777 1 7 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.433 -0.172 18374 1778 1 7 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.075 1.029 18374 1779 1 7 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.384 0.820 18374 1780 1 7 . 1 1 7 7 GLN H H 7 8.534 8.534 8.187 0.347 18374 1781 1 7 . 1 1 8 8 ASN N N 8 119.289 119.289 123.603 -4.314 18374 1782 1 7 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.716 -0.071 18374 1783 1 7 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.938 0.169 18374 1784 1 7 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.496 0.023 18374 1785 1 7 . 1 1 8 8 ASN H H 8 8.486 8.486 8.618 -0.132 18374 1786 1 7 . 1 1 9 9 LEU N N 9 122.204 122.204 126.541 -4.337 18374 1787 1 7 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.559 -0.268 18374 1788 1 7 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.550 0.166 18374 1789 1 7 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.342 0.055 18374 1790 1 7 . 1 1 9 9 LEU H H 9 8.145 8.145 7.988 0.157 18374 1791 1 7 . 1 1 10 10 ALA N N 10 126.188 126.188 130.254 -4.066 18374 1792 1 7 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.707 -0.175 18374 1793 1 7 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.895 0.442 18374 1794 1 7 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.159 -1.366 18374 1795 1 7 . 1 1 10 10 ALA H H 10 8.324 8.324 8.408 -0.084 18374 1796 1 7 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.362 0.002 18374 1797 1 7 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.132 0.776 18374 1798 1 7 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.730 0.139 18374 1799 1 7 . 1 1 12 12 GLY N N 12 108.951 108.951 112.911 -3.960 18374 1800 1 7 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.682 0.539 18374 1801 1 7 . 1 1 12 12 GLY H H 12 8.501 8.501 8.542 -0.041 18374 1802 1 7 . 1 1 13 13 ALA N N 13 123.134 123.134 130.429 -7.295 18374 1803 1 7 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.369 -0.135 18374 1804 1 7 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.739 0.370 18374 1805 1 7 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.420 1.105 18374 1806 1 7 . 1 1 13 13 ALA H H 13 7.957 7.957 8.390 -0.433 18374 1807 1 7 . 1 1 14 14 ARG N N 14 116.759 116.759 121.388 -4.629 18374 1808 1 7 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.572 -0.453 18374 1809 1 7 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.319 -1.508 18374 1810 1 7 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.203 -1.750 18374 1811 1 7 . 1 1 14 14 ARG H H 14 7.990 7.990 8.112 -0.122 18374 1812 1 7 . 1 1 15 15 CYS N N 15 123.688 123.688 126.721 -3.033 18374 1813 1 7 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.994 -0.977 18374 1814 1 7 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.828 1.282 18374 1815 1 7 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.877 4.180 18374 1816 1 7 . 1 1 15 15 CYS H H 15 7.646 7.646 8.551 -0.905 18374 1817 1 7 . 1 1 16 16 GLY N N 16 117.749 117.749 116.006 1.743 18374 1818 1 7 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.820 -0.035 18374 1819 1 7 . 1 1 16 16 GLY H H 16 8.916 8.916 9.015 -0.099 18374 1820 1 7 . 1 1 17 17 VAL N N 17 122.602 122.602 119.955 2.647 18374 1821 1 7 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.962 0.052 18374 1822 1 7 . 1 1 17 17 VAL CA C 17 65.031 65.031 63.937 1.094 18374 1823 1 7 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.686 1.154 18374 1824 1 7 . 1 1 17 17 VAL H H 17 8.856 8.856 8.123 0.733 18374 1825 1 7 . 1 1 18 18 CYS N N 18 115.430 115.430 112.573 2.857 18374 1826 1 7 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.819 0.107 18374 1827 1 7 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.932 -0.753 18374 1828 1 7 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.003 0.608 18374 1829 1 7 . 1 1 18 18 CYS H H 18 7.758 7.758 7.795 -0.037 18374 1830 1 7 . 1 1 19 19 GLY N N 19 113.040 113.040 110.529 2.511 18374 1831 1 7 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.877 1.480 18374 1832 1 7 . 1 1 19 19 GLY H H 19 8.029 8.029 8.576 -0.547 18374 1833 1 7 . 1 1 20 20 ASP N N 20 123.399 123.399 121.971 1.428 18374 1834 1 7 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.880 0.127 18374 1835 1 7 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.271 -0.757 18374 1836 1 7 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.091 1.451 18374 1837 1 7 . 1 1 20 20 ASP H H 20 8.722 8.722 7.811 0.911 18374 1838 1 7 . 1 1 21 21 GLY N N 21 111.371 111.371 107.782 3.589 18374 1839 1 7 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.659 0.448 18374 1840 1 7 . 1 1 21 21 GLY H H 21 8.667 8.667 8.566 0.101 18374 1841 1 7 . 1 1 22 22 THR N N 22 118.220 118.220 117.120 1.100 18374 1842 1 7 . 1 1 22 22 THR HA H 22 3.979 3.979 4.249 -0.270 18374 1843 1 7 . 1 1 22 22 THR CA C 22 64.367 64.367 63.410 0.957 18374 1844 1 7 . 1 1 22 22 THR CB C 22 67.783 67.783 68.880 -1.097 18374 1845 1 7 . 1 1 22 22 THR H H 22 8.784 8.784 7.710 1.075 18374 1846 1 7 . 1 1 23 23 ASP N N 23 127.251 127.251 125.345 1.906 18374 1847 1 7 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.337 -0.036 18374 1848 1 7 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.039 0.388 18374 1849 1 7 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.445 -1.406 18374 1850 1 7 . 1 1 23 23 ASP H H 23 9.376 9.376 8.882 0.494 18374 1851 1 7 . 1 1 24 24 VAL N N 24 111.371 111.371 114.534 -3.163 18374 1852 1 7 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.319 -0.759 18374 1853 1 7 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.465 1.251 18374 1854 1 7 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.109 0.183 18374 1855 1 7 . 1 1 24 24 VAL H H 24 7.402 7.402 8.011 -0.609 18374 1856 1 7 . 1 1 25 25 LEU N N 25 123.908 123.908 126.299 -2.391 18374 1857 1 7 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.380 -0.041 18374 1858 1 7 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.317 -1.795 18374 1859 1 7 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.492 -0.050 18374 1860 1 7 . 1 1 25 25 LEU H H 25 8.328 8.328 8.498 -0.170 18374 1861 1 7 . 1 1 26 26 ARG N N 26 116.626 116.626 120.250 -3.624 18374 1862 1 7 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.533 -0.432 18374 1863 1 7 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.554 -1.899 18374 1864 1 7 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.482 0.186 18374 1865 1 7 . 1 1 26 26 ARG H H 26 7.877 7.877 8.081 -0.204 18374 1866 1 7 . 1 1 27 27 CYS N N 27 126.328 126.328 123.305 3.023 18374 1867 1 7 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.824 -0.509 18374 1868 1 7 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.999 1.399 18374 1869 1 7 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.922 1.745 18374 1870 1 7 . 1 1 27 27 CYS H H 27 9.182 9.182 8.529 0.653 18374 1871 1 7 . 1 1 28 28 THR N N 28 122.470 122.470 121.720 0.750 18374 1872 1 7 . 1 1 28 28 THR HA H 28 4.166 4.166 4.314 -0.148 18374 1873 1 7 . 1 1 28 28 THR CA C 28 64.686 64.686 64.704 -0.018 18374 1874 1 7 . 1 1 28 28 THR CB C 28 69.846 69.846 69.021 0.825 18374 1875 1 7 . 1 1 28 28 THR H H 28 8.956 8.956 9.096 -0.140 18374 1876 1 7 . 1 1 29 29 HIS N N 29 123.908 123.908 119.131 4.777 18374 1877 1 7 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.738 0.171 18374 1878 1 7 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.622 1.482 18374 1879 1 7 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.348 -0.803 18374 1880 1 7 . 1 1 29 29 HIS H H 29 9.464 9.464 8.601 0.863 18374 1881 1 7 . 1 1 30 30 CYS N N 30 119.946 119.946 115.922 4.024 18374 1882 1 7 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.804 0.007 18374 1883 1 7 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.702 2.388 18374 1884 1 7 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.651 2.248 18374 1885 1 7 . 1 1 30 30 CYS H H 30 8.710 8.710 7.576 1.134 18374 1886 1 7 . 1 1 31 31 ALA N N 31 120.477 120.477 124.698 -4.221 18374 1887 1 7 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.481 -0.197 18374 1888 1 7 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.920 2.570 18374 1889 1 7 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.885 -1.467 18374 1890 1 7 . 1 1 31 31 ALA H H 31 7.626 7.626 8.324 -0.698 18374 1891 1 7 . 1 1 32 32 ALA N N 32 125.524 125.524 125.566 -0.042 18374 1892 1 7 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.554 -0.308 18374 1893 1 7 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.505 1.335 18374 1894 1 7 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.108 -1.774 18374 1895 1 7 . 1 1 32 32 ALA H H 32 9.152 9.152 8.335 0.817 18374 1896 1 7 . 1 1 33 33 ALA N N 33 123.257 123.257 126.349 -3.092 18374 1897 1 7 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.620 -0.210 18374 1898 1 7 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.266 -0.460 18374 1899 1 7 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.017 -0.389 18374 1900 1 7 . 1 1 33 33 ALA H H 33 8.490 8.490 8.740 -0.250 18374 1901 1 7 . 1 1 34 34 PHE N N 34 118.220 118.220 119.987 -1.767 18374 1902 1 7 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.858 0.216 18374 1903 1 7 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.360 -0.598 18374 1904 1 7 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.862 -1.640 18374 1905 1 7 . 1 1 34 34 PHE H H 34 8.948 8.948 8.660 0.288 18374 1906 1 7 . 1 1 35 35 HIS N N 35 116.759 116.759 120.344 -3.585 18374 1907 1 7 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.902 -0.016 18374 1908 1 7 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.671 1.467 18374 1909 1 7 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.876 0.147 18374 1910 1 7 . 1 1 35 35 HIS H H 35 7.932 7.932 8.066 -0.134 18374 1911 1 7 . 1 1 36 36 TRP N N 36 127.649 127.649 126.257 1.392 18374 1912 1 7 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.716 -0.278 18374 1913 1 7 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.141 0.232 18374 1914 1 7 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.926 -0.602 18374 1915 1 7 . 1 1 36 36 TRP H H 36 9.421 9.421 9.137 0.284 18374 1916 1 7 . 1 1 37 37 ARG N N 37 113.040 113.040 116.606 -3.566 18374 1917 1 7 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.593 -0.189 18374 1918 1 7 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.606 -1.133 18374 1919 1 7 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.838 -0.671 18374 1920 1 7 . 1 1 37 37 ARG H H 37 9.075 9.075 8.628 0.447 18374 1921 1 7 . 1 1 38 38 CYS N N 38 116.493 116.493 115.576 0.917 18374 1922 1 7 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.499 -0.281 18374 1923 1 7 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.878 2.581 18374 1924 1 7 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.703 2.973 18374 1925 1 7 . 1 1 38 38 CYS H H 38 7.169 7.169 7.900 -0.731 18374 1926 1 7 . 1 1 39 39 HIS N N 39 118.220 118.220 118.276 -0.056 18374 1927 1 7 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.377 -0.154 18374 1928 1 7 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.961 0.516 18374 1929 1 7 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.746 3.594 18374 1930 1 7 . 1 1 39 39 HIS H H 39 7.562 7.562 7.464 0.098 18374 1931 1 7 . 1 1 40 40 PHE N N 40 117.157 117.157 118.249 -1.092 18374 1932 1 7 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.648 0.135 18374 1933 1 7 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.762 -3.103 18374 1934 1 7 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.819 -0.012 18374 1935 1 7 . 1 1 40 40 PHE H H 40 8.282 8.282 8.233 0.049 18374 1936 1 7 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.623 -0.136 18374 1937 1 7 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.447 0.772 18374 1938 1 7 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.467 -0.252 18374 1939 1 7 . 1 1 42 42 ALA N N 42 123.001 123.001 122.860 0.141 18374 1940 1 7 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.169 0.189 18374 1941 1 7 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.663 -1.650 18374 1942 1 7 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.608 0.033 18374 1943 1 7 . 1 1 42 42 ALA H H 42 8.635 8.635 8.480 0.155 18374 1944 1 7 . 1 1 43 43 GLY N N 43 108.291 108.291 103.978 4.313 18374 1945 1 7 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.400 0.066 18374 1946 1 7 . 1 1 43 43 GLY H H 43 8.529 8.529 8.317 0.212 18374 1947 1 7 . 1 1 44 44 THR N N 44 113.961 113.961 119.031 -5.070 18374 1948 1 7 . 1 1 44 44 THR HA H 44 4.424 4.424 4.597 -0.173 18374 1949 1 7 . 1 1 44 44 THR CA C 44 62.074 62.074 62.131 -0.057 18374 1950 1 7 . 1 1 44 44 THR CB C 44 70.259 70.259 70.008 0.251 18374 1951 1 7 . 1 1 44 44 THR H H 44 7.971 7.971 7.749 0.222 18374 1952 1 7 . 1 1 45 45 SER N N 45 120.467 120.467 121.253 -0.786 18374 1953 1 7 . 1 1 45 45 SER HA H 45 4.280 4.280 4.632 -0.352 18374 1954 1 7 . 1 1 45 45 SER CA C 45 58.274 58.274 57.123 1.151 18374 1955 1 7 . 1 1 45 45 SER CB C 45 63.906 63.906 64.320 -0.414 18374 1956 1 7 . 1 1 45 45 SER H H 45 8.644 8.644 8.652 -0.008 18374 1957 1 7 . 1 1 46 46 ARG N N 46 124.196 124.196 125.165 -0.969 18374 1958 1 7 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.111 0.809 18374 1959 1 7 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.429 -0.277 18374 1960 1 7 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.495 0.407 18374 1961 1 7 . 1 1 46 46 ARG H H 46 8.197 8.197 8.329 -0.132 18374 1962 1 7 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.437 -0.139 18374 1963 1 7 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.076 0.742 18374 1964 1 7 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.550 -0.364 18374 1965 1 7 . 1 1 48 48 GLY N N 48 108.071 108.071 109.714 -1.643 18374 1966 1 7 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.854 -0.175 18374 1967 1 7 . 1 1 48 48 GLY H H 48 8.492 8.492 8.561 -0.069 18374 1968 1 7 . 1 1 49 49 THR N N 49 111.151 111.151 110.983 0.168 18374 1969 1 7 . 1 1 49 49 THR HA H 49 4.377 4.377 4.333 0.044 18374 1970 1 7 . 1 1 49 49 THR CA C 49 60.690 60.690 61.218 -0.528 18374 1971 1 7 . 1 1 49 49 THR CB C 49 70.332 70.332 70.632 -0.300 18374 1972 1 7 . 1 1 49 49 THR H H 49 7.669 7.669 7.388 0.281 18374 1973 1 7 . 1 1 50 50 GLY N N 50 110.491 110.491 111.607 -1.116 18374 1974 1 7 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.873 1.308 18374 1975 1 7 . 1 1 50 50 GLY H H 50 8.459 8.459 8.343 0.116 18374 1976 1 7 . 1 1 51 51 LEU N N 51 121.407 121.407 120.547 0.860 18374 1977 1 7 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.311 -0.029 18374 1978 1 7 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.059 1.309 18374 1979 1 7 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.059 0.760 18374 1980 1 7 . 1 1 51 51 LEU H H 51 8.248 8.248 7.998 0.250 18374 1981 1 7 . 1 1 52 52 ARG N N 52 124.997 124.997 125.750 -0.753 18374 1982 1 7 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.804 1.043 18374 1983 1 7 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.098 -0.967 18374 1984 1 7 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.516 1.469 18374 1985 1 7 . 1 1 52 52 ARG H H 52 8.639 8.639 8.606 0.033 18374 1986 1 7 . 1 1 53 53 CYS N N 53 120.743 120.743 121.047 -0.304 18374 1987 1 7 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.425 -0.932 18374 1988 1 7 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.131 0.073 18374 1989 1 7 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.300 1.479 18374 1990 1 7 . 1 1 53 53 CYS H H 53 8.933 8.933 8.528 0.405 18374 1991 1 7 . 1 1 54 54 ARG N N 54 121.407 121.407 119.872 1.535 18374 1992 1 7 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.908 -0.098 18374 1993 1 7 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.385 -0.998 18374 1994 1 7 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.175 -1.292 18374 1995 1 7 . 1 1 54 54 ARG H H 54 10.380 10.380 8.600 1.780 18374 1996 1 7 . 1 1 55 55 SER N N 55 117.300 117.300 113.849 3.451 18374 1997 1 7 . 1 1 55 55 SER HA H 55 4.258 4.258 4.294 -0.036 18374 1998 1 7 . 1 1 55 55 SER CA C 55 61.216 61.216 60.679 0.537 18374 1999 1 7 . 1 1 55 55 SER CB C 55 62.830 62.830 62.909 -0.079 18374 2000 1 7 . 1 1 55 55 SER H H 55 8.228 8.228 8.079 0.149 18374 2001 1 7 . 1 1 56 56 CYS N N 56 122.602 122.602 118.695 3.907 18374 2002 1 7 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.328 -0.142 18374 2003 1 7 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.148 1.094 18374 2004 1 7 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.814 3.103 18374 2005 1 7 . 1 1 56 56 CYS H H 56 7.999 7.999 7.755 0.244 18374 2006 1 7 . 1 1 57 57 SER N N 57 115.430 115.430 113.748 1.682 18374 2007 1 7 . 1 1 57 57 SER HA H 57 4.266 4.266 4.539 -0.273 18374 2008 1 7 . 1 1 57 57 SER CA C 57 59.992 59.992 60.035 -0.043 18374 2009 1 7 . 1 1 57 57 SER CB C 57 63.492 63.492 64.058 -0.566 18374 2010 1 7 . 1 1 57 57 SER H H 57 7.938 7.938 8.400 -0.462 18374 2011 1 7 . 1 1 58 58 GLY N N 58 109.391 109.391 108.995 0.396 18374 2012 1 7 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.337 0.088 18374 2013 1 7 . 1 1 58 58 GLY H H 58 8.013 8.013 7.557 0.456 18374 2014 1 7 . 1 1 59 59 ASP N N 59 120.345 120.345 121.575 -1.230 18374 2015 1 7 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.846 -0.255 18374 2016 1 7 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.623 0.669 18374 2017 1 7 . 1 1 59 59 ASP CB C 59 41.083 41.083 43.062 -1.979 18374 2018 1 7 . 1 1 59 59 ASP H H 59 8.130 8.130 8.400 -0.270 18374 2019 1 7 . 1 1 60 60 VAL N N 60 119.548 119.548 119.386 0.162 18374 2020 1 7 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.229 -0.071 18374 2021 1 7 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.247 0.668 18374 2022 1 7 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.267 -0.751 18374 2023 1 7 . 1 1 60 60 VAL H H 60 8.072 8.072 8.272 -0.200 18374 2024 1 7 . 1 1 61 61 THR N N 61 121.407 121.407 124.728 -3.321 18374 2025 1 7 . 1 1 61 61 THR HA H 61 4.509 4.509 4.725 -0.216 18374 2026 1 7 . 1 1 61 61 THR CA C 61 59.848 59.848 59.562 0.286 18374 2027 1 7 . 1 1 61 61 THR CB C 61 69.602 69.602 68.870 0.732 18374 2028 1 7 . 1 1 61 61 THR H H 61 8.335 8.335 8.445 -0.110 18374 2029 1 7 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.480 -0.118 18374 2030 1 7 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.375 0.528 18374 2031 1 7 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.252 -0.303 18374 2032 1 7 . 1 1 63 63 ALA N N 63 125.923 125.923 127.701 -1.778 18374 2033 1 7 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.583 -0.045 18374 2034 1 7 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.887 0.381 18374 2035 1 7 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.978 -1.278 18374 2036 1 7 . 1 1 63 63 ALA H H 63 8.368 8.368 8.856 -0.488 18374 2037 1 7 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.389 0.021 18374 2038 1 7 . 1 1 64 64 PRO CA C 64 62.897 62.897 64.075 -1.178 18374 2039 1 7 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.504 0.420 18374 2040 1 7 . 1 1 65 65 VAL N N 65 120.526 120.526 111.977 8.549 18374 2041 1 7 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.439 -0.366 18374 2042 1 7 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.408 0.918 18374 2043 1 7 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.869 -0.789 18374 2044 1 7 . 1 1 65 65 VAL H H 65 8.270 8.270 7.726 0.544 18374 2045 1 8 . 1 1 2 2 ALA N N 2 123.688 123.688 122.018 1.670 18374 2046 1 8 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.433 -0.135 18374 2047 1 8 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.781 -1.071 18374 2048 1 8 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.580 -0.345 18374 2049 1 8 . 1 1 2 2 ALA H H 2 8.653 8.653 8.335 0.318 18374 2050 1 8 . 1 1 3 3 MET N N 3 119.289 119.289 119.277 0.012 18374 2051 1 8 . 1 1 3 3 MET HA H 3 4.426 4.426 4.444 -0.018 18374 2052 1 8 . 1 1 3 3 MET CA C 3 55.430 55.430 55.077 0.353 18374 2053 1 8 . 1 1 3 3 MET CB C 3 32.532 32.532 30.129 2.403 18374 2054 1 8 . 1 1 3 3 MET H H 3 8.545 8.545 8.470 0.075 18374 2055 1 8 . 1 1 4 4 GLU N N 4 122.149 122.149 117.557 4.592 18374 2056 1 8 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.473 -0.229 18374 2057 1 8 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.042 0.989 18374 2058 1 8 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.885 -0.879 18374 2059 1 8 . 1 1 4 4 GLU H H 4 8.440 8.440 8.193 0.247 18374 2060 1 8 . 1 1 5 5 GLY N N 5 110.051 110.051 109.138 0.913 18374 2061 1 8 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.100 -0.692 18374 2062 1 8 . 1 1 5 5 GLY H H 5 8.500 8.500 7.760 0.740 18374 2063 1 8 . 1 1 6 6 GLN N N 6 119.509 119.509 118.967 0.542 18374 2064 1 8 . 1 1 6 6 GLN HA H 6 4.286 4.286 3.967 0.319 18374 2065 1 8 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.258 -0.258 18374 2066 1 8 . 1 1 6 6 GLN CB C 6 29.208 29.208 26.999 2.209 18374 2067 1 8 . 1 1 6 6 GLN H H 6 8.242 8.242 8.385 -0.143 18374 2068 1 8 . 1 1 7 7 GLN N N 7 121.049 121.049 116.334 4.715 18374 2069 1 8 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.085 0.176 18374 2070 1 8 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.036 0.068 18374 2071 1 8 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.928 0.276 18374 2072 1 8 . 1 1 7 7 GLN H H 7 8.534 8.534 8.296 0.238 18374 2073 1 8 . 1 1 8 8 ASN N N 8 119.289 119.289 120.188 -0.899 18374 2074 1 8 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.675 -0.030 18374 2075 1 8 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.166 -0.059 18374 2076 1 8 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.495 1.024 18374 2077 1 8 . 1 1 8 8 ASN H H 8 8.486 8.486 8.608 -0.122 18374 2078 1 8 . 1 1 9 9 LEU N N 9 122.204 122.204 122.623 -0.419 18374 2079 1 8 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.654 -0.363 18374 2080 1 8 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.867 -0.151 18374 2081 1 8 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.808 -1.411 18374 2082 1 8 . 1 1 9 9 LEU H H 9 8.145 8.145 7.808 0.337 18374 2083 1 8 . 1 1 10 10 ALA N N 10 126.188 126.188 129.728 -3.540 18374 2084 1 8 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.693 -0.161 18374 2085 1 8 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.808 0.529 18374 2086 1 8 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.110 -1.317 18374 2087 1 8 . 1 1 10 10 ALA H H 10 8.324 8.324 8.033 0.291 18374 2088 1 8 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.313 0.051 18374 2089 1 8 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.081 -0.173 18374 2090 1 8 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.224 -0.355 18374 2091 1 8 . 1 1 12 12 GLY N N 12 108.951 108.951 105.039 3.912 18374 2092 1 8 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.342 0.879 18374 2093 1 8 . 1 1 12 12 GLY H H 12 8.501 8.501 8.123 0.378 18374 2094 1 8 . 1 1 13 13 ALA N N 13 123.134 123.134 123.573 -0.439 18374 2095 1 8 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.733 -0.499 18374 2096 1 8 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.880 0.229 18374 2097 1 8 . 1 1 13 13 ALA CB C 13 19.525 19.525 20.353 -0.828 18374 2098 1 8 . 1 1 13 13 ALA H H 13 7.957 7.957 7.405 0.552 18374 2099 1 8 . 1 1 14 14 ARG N N 14 116.759 116.759 121.881 -5.122 18374 2100 1 8 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.589 -0.470 18374 2101 1 8 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.528 -0.718 18374 2102 1 8 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.222 -1.769 18374 2103 1 8 . 1 1 14 14 ARG H H 14 7.990 7.990 8.284 -0.294 18374 2104 1 8 . 1 1 15 15 CYS N N 15 123.688 123.688 122.285 1.403 18374 2105 1 8 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.691 -0.674 18374 2106 1 8 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.015 0.095 18374 2107 1 8 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.665 4.392 18374 2108 1 8 . 1 1 15 15 CYS H H 15 7.646 7.646 8.478 -0.832 18374 2109 1 8 . 1 1 16 16 GLY N N 16 117.749 117.749 116.725 1.024 18374 2110 1 8 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.143 -0.358 18374 2111 1 8 . 1 1 16 16 GLY H H 16 8.916 8.916 9.094 -0.178 18374 2112 1 8 . 1 1 17 17 VAL N N 17 122.602 122.602 119.995 2.607 18374 2113 1 8 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.917 0.097 18374 2114 1 8 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.445 0.585 18374 2115 1 8 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.293 0.547 18374 2116 1 8 . 1 1 17 17 VAL H H 17 8.856 8.856 7.898 0.958 18374 2117 1 8 . 1 1 18 18 CYS N N 18 115.430 115.430 117.040 -1.610 18374 2118 1 8 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.758 0.168 18374 2119 1 8 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.708 -1.529 18374 2120 1 8 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.733 0.878 18374 2121 1 8 . 1 1 18 18 CYS H H 18 7.758 7.758 8.246 -0.488 18374 2122 1 8 . 1 1 19 19 GLY N N 19 113.040 113.040 108.676 4.364 18374 2123 1 8 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.379 0.978 18374 2124 1 8 . 1 1 19 19 GLY H H 19 8.029 8.029 8.857 -0.828 18374 2125 1 8 . 1 1 20 20 ASP N N 20 123.399 123.399 121.360 2.039 18374 2126 1 8 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.819 0.188 18374 2127 1 8 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.715 -1.201 18374 2128 1 8 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.173 1.369 18374 2129 1 8 . 1 1 20 20 ASP H H 20 8.722 8.722 7.995 0.727 18374 2130 1 8 . 1 1 21 21 GLY N N 21 111.371 111.371 108.000 3.371 18374 2131 1 8 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.961 0.146 18374 2132 1 8 . 1 1 21 21 GLY H H 21 8.667 8.667 8.618 0.049 18374 2133 1 8 . 1 1 22 22 THR N N 22 118.220 118.220 117.761 0.459 18374 2134 1 8 . 1 1 22 22 THR HA H 22 3.979 3.979 4.379 -0.400 18374 2135 1 8 . 1 1 22 22 THR CA C 22 64.367 64.367 62.933 1.434 18374 2136 1 8 . 1 1 22 22 THR CB C 22 67.783 67.783 69.311 -1.528 18374 2137 1 8 . 1 1 22 22 THR H H 22 8.784 8.784 7.696 1.088 18374 2138 1 8 . 1 1 23 23 ASP N N 23 127.251 127.251 121.430 5.821 18374 2139 1 8 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.292 0.009 18374 2140 1 8 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.748 0.679 18374 2141 1 8 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.146 -0.107 18374 2142 1 8 . 1 1 23 23 ASP H H 23 9.376 9.376 8.796 0.580 18374 2143 1 8 . 1 1 24 24 VAL N N 24 111.371 111.371 118.435 -7.064 18374 2144 1 8 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.313 -0.753 18374 2145 1 8 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.227 0.489 18374 2146 1 8 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.990 -0.698 18374 2147 1 8 . 1 1 24 24 VAL H H 24 7.402 7.402 7.672 -0.270 18374 2148 1 8 . 1 1 25 25 LEU N N 25 123.908 123.908 128.964 -5.056 18374 2149 1 8 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.461 -0.122 18374 2150 1 8 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.194 -1.672 18374 2151 1 8 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.739 -0.296 18374 2152 1 8 . 1 1 25 25 LEU H H 25 8.328 8.328 8.723 -0.395 18374 2153 1 8 . 1 1 26 26 ARG N N 26 116.626 116.626 119.811 -3.185 18374 2154 1 8 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.337 -0.236 18374 2155 1 8 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.316 -0.661 18374 2156 1 8 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.692 -0.024 18374 2157 1 8 . 1 1 26 26 ARG H H 26 7.877 7.877 8.075 -0.198 18374 2158 1 8 . 1 1 27 27 CYS N N 27 126.328 126.328 121.997 4.331 18374 2159 1 8 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.828 -0.513 18374 2160 1 8 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.455 1.943 18374 2161 1 8 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.316 2.351 18374 2162 1 8 . 1 1 27 27 CYS H H 27 9.182 9.182 8.498 0.684 18374 2163 1 8 . 1 1 28 28 THR N N 28 122.470 122.470 121.265 1.205 18374 2164 1 8 . 1 1 28 28 THR HA H 28 4.166 4.166 4.414 -0.248 18374 2165 1 8 . 1 1 28 28 THR CA C 28 64.686 64.686 63.492 1.194 18374 2166 1 8 . 1 1 28 28 THR CB C 28 69.846 69.846 68.781 1.065 18374 2167 1 8 . 1 1 28 28 THR H H 28 8.956 8.956 9.005 -0.049 18374 2168 1 8 . 1 1 29 29 HIS N N 29 123.908 123.908 118.459 5.449 18374 2169 1 8 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.697 0.212 18374 2170 1 8 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.777 1.327 18374 2171 1 8 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.788 -1.243 18374 2172 1 8 . 1 1 29 29 HIS H H 29 9.464 9.464 8.170 1.294 18374 2173 1 8 . 1 1 30 30 CYS N N 30 119.946 119.946 115.681 4.265 18374 2174 1 8 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.774 0.037 18374 2175 1 8 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.700 2.390 18374 2176 1 8 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.553 2.345 18374 2177 1 8 . 1 1 30 30 CYS H H 30 8.710 8.710 7.764 0.946 18374 2178 1 8 . 1 1 31 31 ALA N N 31 120.477 120.477 124.724 -4.247 18374 2179 1 8 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.515 -0.231 18374 2180 1 8 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.879 2.611 18374 2181 1 8 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.874 -1.456 18374 2182 1 8 . 1 1 31 31 ALA H H 31 7.626 7.626 8.351 -0.725 18374 2183 1 8 . 1 1 32 32 ALA N N 32 125.524 125.524 125.597 -0.073 18374 2184 1 8 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.585 -0.339 18374 2185 1 8 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.491 1.349 18374 2186 1 8 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.815 -1.481 18374 2187 1 8 . 1 1 32 32 ALA H H 32 9.152 9.152 8.389 0.763 18374 2188 1 8 . 1 1 33 33 ALA N N 33 123.257 123.257 125.193 -1.936 18374 2189 1 8 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.605 -0.195 18374 2190 1 8 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.356 -0.550 18374 2191 1 8 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.423 -0.795 18374 2192 1 8 . 1 1 33 33 ALA H H 33 8.490 8.490 8.635 -0.145 18374 2193 1 8 . 1 1 34 34 PHE N N 34 118.220 118.220 119.848 -1.628 18374 2194 1 8 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.827 0.247 18374 2195 1 8 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.526 -0.764 18374 2196 1 8 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.839 -1.617 18374 2197 1 8 . 1 1 34 34 PHE H H 34 8.948 8.948 8.324 0.624 18374 2198 1 8 . 1 1 35 35 HIS N N 35 116.759 116.759 120.686 -3.927 18374 2199 1 8 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.913 -0.027 18374 2200 1 8 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.553 1.585 18374 2201 1 8 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.747 0.276 18374 2202 1 8 . 1 1 35 35 HIS H H 35 7.932 7.932 8.046 -0.114 18374 2203 1 8 . 1 1 36 36 TRP N N 36 127.649 127.649 126.152 1.497 18374 2204 1 8 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.566 -0.128 18374 2205 1 8 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.860 0.513 18374 2206 1 8 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.800 -0.476 18374 2207 1 8 . 1 1 36 36 TRP H H 36 9.421 9.421 9.117 0.304 18374 2208 1 8 . 1 1 37 37 ARG N N 37 113.040 113.040 116.829 -3.789 18374 2209 1 8 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.411 -0.007 18374 2210 1 8 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.717 -1.244 18374 2211 1 8 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.805 -0.638 18374 2212 1 8 . 1 1 37 37 ARG H H 37 9.075 9.075 8.645 0.430 18374 2213 1 8 . 1 1 38 38 CYS N N 38 116.493 116.493 115.162 1.331 18374 2214 1 8 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.508 -0.290 18374 2215 1 8 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.392 2.067 18374 2216 1 8 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.735 2.941 18374 2217 1 8 . 1 1 38 38 CYS H H 38 7.169 7.169 7.956 -0.787 18374 2218 1 8 . 1 1 39 39 HIS N N 39 118.220 118.220 117.488 0.732 18374 2219 1 8 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.436 -0.213 18374 2220 1 8 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.847 0.629 18374 2221 1 8 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.319 3.021 18374 2222 1 8 . 1 1 39 39 HIS H H 39 7.562 7.562 7.605 -0.043 18374 2223 1 8 . 1 1 40 40 PHE N N 40 117.157 117.157 117.581 -0.424 18374 2224 1 8 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.706 0.077 18374 2225 1 8 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.054 -2.395 18374 2226 1 8 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.084 -1.277 18374 2227 1 8 . 1 1 40 40 PHE H H 40 8.282 8.282 8.171 0.111 18374 2228 1 8 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.407 0.080 18374 2229 1 8 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.034 0.185 18374 2230 1 8 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.247 -0.032 18374 2231 1 8 . 1 1 42 42 ALA N N 42 123.001 123.001 124.101 -1.100 18374 2232 1 8 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.122 0.236 18374 2233 1 8 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.196 -1.183 18374 2234 1 8 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.680 -0.039 18374 2235 1 8 . 1 1 42 42 ALA H H 42 8.635 8.635 8.587 0.048 18374 2236 1 8 . 1 1 43 43 GLY N N 43 108.291 108.291 104.007 4.284 18374 2237 1 8 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.087 0.379 18374 2238 1 8 . 1 1 43 43 GLY H H 43 8.529 8.529 8.179 0.350 18374 2239 1 8 . 1 1 44 44 THR N N 44 113.961 113.961 119.790 -5.829 18374 2240 1 8 . 1 1 44 44 THR HA H 44 4.424 4.424 4.530 -0.106 18374 2241 1 8 . 1 1 44 44 THR CA C 44 62.074 62.074 63.014 -0.940 18374 2242 1 8 . 1 1 44 44 THR CB C 44 70.259 70.259 69.402 0.857 18374 2243 1 8 . 1 1 44 44 THR H H 44 7.971 7.971 8.059 -0.088 18374 2244 1 8 . 1 1 45 45 SER N N 45 120.467 120.467 122.496 -2.029 18374 2245 1 8 . 1 1 45 45 SER HA H 45 4.280 4.280 4.667 -0.387 18374 2246 1 8 . 1 1 45 45 SER CA C 45 58.274 58.274 58.091 0.183 18374 2247 1 8 . 1 1 45 45 SER CB C 45 63.906 63.906 64.427 -0.521 18374 2248 1 8 . 1 1 45 45 SER H H 45 8.644 8.644 8.703 -0.059 18374 2249 1 8 . 1 1 46 46 ARG N N 46 124.196 124.196 124.074 0.122 18374 2250 1 8 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.384 0.536 18374 2251 1 8 . 1 1 46 46 ARG CA C 46 53.152 53.152 54.022 -0.870 18374 2252 1 8 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.863 1.039 18374 2253 1 8 . 1 1 46 46 ARG H H 46 8.197 8.197 8.264 -0.067 18374 2254 1 8 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.372 -0.074 18374 2255 1 8 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.389 0.429 18374 2256 1 8 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.341 -0.155 18374 2257 1 8 . 1 1 48 48 GLY N N 48 108.071 108.071 108.392 -0.321 18374 2258 1 8 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.489 0.190 18374 2259 1 8 . 1 1 48 48 GLY H H 48 8.492 8.492 8.514 -0.022 18374 2260 1 8 . 1 1 49 49 THR N N 49 111.151 111.151 112.866 -1.715 18374 2261 1 8 . 1 1 49 49 THR HA H 49 4.377 4.377 4.357 0.020 18374 2262 1 8 . 1 1 49 49 THR CA C 49 60.690 60.690 61.368 -0.678 18374 2263 1 8 . 1 1 49 49 THR CB C 49 70.332 70.332 68.581 1.751 18374 2264 1 8 . 1 1 49 49 THR H H 49 7.669 7.669 7.657 0.012 18374 2265 1 8 . 1 1 50 50 GLY N N 50 110.491 110.491 108.923 1.568 18374 2266 1 8 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.444 1.737 18374 2267 1 8 . 1 1 50 50 GLY H H 50 8.459 8.459 7.190 1.269 18374 2268 1 8 . 1 1 51 51 LEU N N 51 121.407 121.407 122.452 -1.045 18374 2269 1 8 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.325 -0.043 18374 2270 1 8 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.058 1.310 18374 2271 1 8 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.220 0.599 18374 2272 1 8 . 1 1 51 51 LEU H H 51 8.248 8.248 8.476 -0.228 18374 2273 1 8 . 1 1 52 52 ARG N N 52 124.997 124.997 125.779 -0.782 18374 2274 1 8 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.823 1.024 18374 2275 1 8 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.029 -0.898 18374 2276 1 8 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.005 1.980 18374 2277 1 8 . 1 1 52 52 ARG H H 52 8.639 8.639 8.433 0.206 18374 2278 1 8 . 1 1 53 53 CYS N N 53 120.743 120.743 122.169 -1.426 18374 2279 1 8 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.711 -1.218 18374 2280 1 8 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.706 -0.502 18374 2281 1 8 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.989 1.790 18374 2282 1 8 . 1 1 53 53 CYS H H 53 8.933 8.933 8.635 0.298 18374 2283 1 8 . 1 1 54 54 ARG N N 54 121.407 121.407 121.300 0.107 18374 2284 1 8 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.040 -0.230 18374 2285 1 8 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.315 0.072 18374 2286 1 8 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.663 -0.780 18374 2287 1 8 . 1 1 54 54 ARG H H 54 10.380 10.380 8.687 1.693 18374 2288 1 8 . 1 1 55 55 SER N N 55 117.300 117.300 115.006 2.294 18374 2289 1 8 . 1 1 55 55 SER HA H 55 4.258 4.258 4.290 -0.032 18374 2290 1 8 . 1 1 55 55 SER CA C 55 61.216 61.216 61.645 -0.429 18374 2291 1 8 . 1 1 55 55 SER CB C 55 62.830 62.830 62.873 -0.043 18374 2292 1 8 . 1 1 55 55 SER H H 55 8.228 8.228 8.392 -0.164 18374 2293 1 8 . 1 1 56 56 CYS N N 56 122.602 122.602 119.324 3.278 18374 2294 1 8 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.285 -0.099 18374 2295 1 8 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.819 0.423 18374 2296 1 8 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.328 3.588 18374 2297 1 8 . 1 1 56 56 CYS H H 56 7.999 7.999 7.933 0.066 18374 2298 1 8 . 1 1 57 57 SER N N 57 115.430 115.430 114.398 1.032 18374 2299 1 8 . 1 1 57 57 SER HA H 57 4.266 4.266 4.399 -0.133 18374 2300 1 8 . 1 1 57 57 SER CA C 57 59.992 59.992 60.601 -0.609 18374 2301 1 8 . 1 1 57 57 SER CB C 57 63.492 63.492 62.909 0.583 18374 2302 1 8 . 1 1 57 57 SER H H 57 7.938 7.938 8.137 -0.199 18374 2303 1 8 . 1 1 58 58 GLY N N 58 109.391 109.391 110.734 -1.343 18374 2304 1 8 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.490 0.936 18374 2305 1 8 . 1 1 58 58 GLY H H 58 8.013 8.013 7.573 0.440 18374 2306 1 8 . 1 1 59 59 ASP N N 59 120.345 120.345 119.096 1.249 18374 2307 1 8 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.707 -0.116 18374 2308 1 8 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.409 0.883 18374 2309 1 8 . 1 1 59 59 ASP CB C 59 41.083 41.083 43.356 -2.273 18374 2310 1 8 . 1 1 59 59 ASP H H 59 8.130 8.130 8.108 0.022 18374 2311 1 8 . 1 1 60 60 VAL N N 60 119.548 119.548 124.842 -5.294 18374 2312 1 8 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.215 -0.057 18374 2313 1 8 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.708 -0.793 18374 2314 1 8 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.067 0.448 18374 2315 1 8 . 1 1 60 60 VAL H H 60 8.072 8.072 8.428 -0.356 18374 2316 1 8 . 1 1 61 61 THR N N 61 121.407 121.407 121.191 0.216 18374 2317 1 8 . 1 1 61 61 THR HA H 61 4.509 4.509 4.719 -0.210 18374 2318 1 8 . 1 1 61 61 THR CA C 61 59.848 59.848 59.204 0.644 18374 2319 1 8 . 1 1 61 61 THR CB C 61 69.602 69.602 68.828 0.774 18374 2320 1 8 . 1 1 61 61 THR H H 61 8.335 8.335 8.326 0.009 18374 2321 1 8 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.455 -0.093 18374 2322 1 8 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.897 0.007 18374 2323 1 8 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.393 -0.444 18374 2324 1 8 . 1 1 63 63 ALA N N 63 125.923 125.923 126.234 -0.311 18374 2325 1 8 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.422 0.116 18374 2326 1 8 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.983 -0.715 18374 2327 1 8 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.005 -1.305 18374 2328 1 8 . 1 1 63 63 ALA H H 63 8.368 8.368 8.120 0.248 18374 2329 1 8 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.478 -0.068 18374 2330 1 8 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.779 0.118 18374 2331 1 8 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.140 1.784 18374 2332 1 8 . 1 1 65 65 VAL N N 65 120.526 120.526 120.983 -0.457 18374 2333 1 8 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.255 -0.182 18374 2334 1 8 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.013 0.313 18374 2335 1 8 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.186 -0.106 18374 2336 1 8 . 1 1 65 65 VAL H H 65 8.270 8.270 7.756 0.514 18374 2337 1 9 . 1 1 2 2 ALA N N 2 123.688 123.688 127.552 -3.864 18374 2338 1 9 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.069 0.229 18374 2339 1 9 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.719 -1.009 18374 2340 1 9 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.786 0.449 18374 2341 1 9 . 1 1 2 2 ALA H H 2 8.653 8.653 8.491 0.162 18374 2342 1 9 . 1 1 3 3 MET N N 3 119.289 119.289 119.086 0.203 18374 2343 1 9 . 1 1 3 3 MET HA H 3 4.426 4.426 4.587 -0.161 18374 2344 1 9 . 1 1 3 3 MET CA C 3 55.430 55.430 55.180 0.250 18374 2345 1 9 . 1 1 3 3 MET CB C 3 32.532 32.532 33.962 -1.430 18374 2346 1 9 . 1 1 3 3 MET H H 3 8.545 8.545 8.323 0.222 18374 2347 1 9 . 1 1 4 4 GLU N N 4 122.149 122.149 125.257 -3.108 18374 2348 1 9 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.473 -0.229 18374 2349 1 9 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.204 0.827 18374 2350 1 9 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.016 0.990 18374 2351 1 9 . 1 1 4 4 GLU H H 4 8.440 8.440 8.733 -0.293 18374 2352 1 9 . 1 1 5 5 GLY N N 5 110.051 110.051 109.299 0.752 18374 2353 1 9 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.248 0.160 18374 2354 1 9 . 1 1 5 5 GLY H H 5 8.500 8.500 7.936 0.564 18374 2355 1 9 . 1 1 6 6 GLN N N 6 119.509 119.509 118.669 0.840 18374 2356 1 9 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.376 -0.090 18374 2357 1 9 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.629 -0.629 18374 2358 1 9 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.859 0.349 18374 2359 1 9 . 1 1 6 6 GLN H H 6 8.242 8.242 8.249 -0.007 18374 2360 1 9 . 1 1 7 7 GLN N N 7 121.049 121.049 119.585 1.464 18374 2361 1 9 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.358 -0.097 18374 2362 1 9 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.317 0.787 18374 2363 1 9 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.756 1.448 18374 2364 1 9 . 1 1 7 7 GLN H H 7 8.534 8.534 8.152 0.382 18374 2365 1 9 . 1 1 8 8 ASN N N 8 119.289 119.289 124.112 -4.823 18374 2366 1 9 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.875 -0.230 18374 2367 1 9 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.840 0.267 18374 2368 1 9 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.846 -0.327 18374 2369 1 9 . 1 1 8 8 ASN H H 8 8.486 8.486 8.645 -0.159 18374 2370 1 9 . 1 1 9 9 LEU N N 9 122.204 122.204 122.972 -0.768 18374 2371 1 9 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.543 -0.252 18374 2372 1 9 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.140 0.576 18374 2373 1 9 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.951 1.446 18374 2374 1 9 . 1 1 9 9 LEU H H 9 8.145 8.145 8.418 -0.273 18374 2375 1 9 . 1 1 10 10 ALA N N 10 126.188 126.188 131.366 -5.178 18374 2376 1 9 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.602 -0.070 18374 2377 1 9 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.518 -0.181 18374 2378 1 9 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.892 -1.099 18374 2379 1 9 . 1 1 10 10 ALA H H 10 8.324 8.324 8.551 -0.227 18374 2380 1 9 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.372 -0.008 18374 2381 1 9 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.754 1.154 18374 2382 1 9 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.908 1.961 18374 2383 1 9 . 1 1 12 12 GLY N N 12 108.951 108.951 110.586 -1.635 18374 2384 1 9 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.497 -0.276 18374 2385 1 9 . 1 1 12 12 GLY H H 12 8.501 8.501 8.499 0.002 18374 2386 1 9 . 1 1 13 13 ALA N N 13 123.134 123.134 121.059 2.075 18374 2387 1 9 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.618 -0.384 18374 2388 1 9 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.477 0.632 18374 2389 1 9 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.879 -0.354 18374 2390 1 9 . 1 1 13 13 ALA H H 13 7.957 7.957 7.714 0.243 18374 2391 1 9 . 1 1 14 14 ARG N N 14 116.759 116.759 121.097 -4.338 18374 2392 1 9 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.548 -0.429 18374 2393 1 9 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.350 -1.540 18374 2394 1 9 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.947 -1.494 18374 2395 1 9 . 1 1 14 14 ARG H H 14 7.990 7.990 7.947 0.043 18374 2396 1 9 . 1 1 15 15 CYS N N 15 123.688 123.688 126.675 -2.987 18374 2397 1 9 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.760 -0.743 18374 2398 1 9 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.751 0.359 18374 2399 1 9 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.257 3.800 18374 2400 1 9 . 1 1 15 15 CYS H H 15 7.646 7.646 8.515 -0.869 18374 2401 1 9 . 1 1 16 16 GLY N N 16 117.749 117.749 116.313 1.436 18374 2402 1 9 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.118 -0.333 18374 2403 1 9 . 1 1 16 16 GLY H H 16 8.916 8.916 9.102 -0.186 18374 2404 1 9 . 1 1 17 17 VAL N N 17 122.602 122.602 120.562 2.040 18374 2405 1 9 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.805 0.209 18374 2406 1 9 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.704 0.327 18374 2407 1 9 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.129 0.711 18374 2408 1 9 . 1 1 17 17 VAL H H 17 8.856 8.856 8.185 0.671 18374 2409 1 9 . 1 1 18 18 CYS N N 18 115.430 115.430 116.958 -1.528 18374 2410 1 9 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.685 0.241 18374 2411 1 9 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.673 -1.494 18374 2412 1 9 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.075 1.536 18374 2413 1 9 . 1 1 18 18 CYS H H 18 7.758 7.758 7.885 -0.127 18374 2414 1 9 . 1 1 19 19 GLY N N 19 113.040 113.040 108.655 4.385 18374 2415 1 9 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.096 1.260 18374 2416 1 9 . 1 1 19 19 GLY H H 19 8.029 8.029 8.793 -0.764 18374 2417 1 9 . 1 1 20 20 ASP N N 20 123.399 123.399 120.567 2.832 18374 2418 1 9 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.946 0.061 18374 2419 1 9 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.633 -0.119 18374 2420 1 9 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.179 0.363 18374 2421 1 9 . 1 1 20 20 ASP H H 20 8.722 8.722 7.498 1.224 18374 2422 1 9 . 1 1 21 21 GLY N N 21 111.371 111.371 108.351 3.020 18374 2423 1 9 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.923 0.184 18374 2424 1 9 . 1 1 21 21 GLY H H 21 8.667 8.667 8.615 0.052 18374 2425 1 9 . 1 1 22 22 THR N N 22 118.220 118.220 117.131 1.089 18374 2426 1 9 . 1 1 22 22 THR HA H 22 3.979 3.979 4.312 -0.333 18374 2427 1 9 . 1 1 22 22 THR CA C 22 64.367 64.367 63.135 1.232 18374 2428 1 9 . 1 1 22 22 THR CB C 22 67.783 67.783 69.294 -1.512 18374 2429 1 9 . 1 1 22 22 THR H H 22 8.784 8.784 7.684 1.100 18374 2430 1 9 . 1 1 23 23 ASP N N 23 127.251 127.251 123.100 4.151 18374 2431 1 9 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.253 0.048 18374 2432 1 9 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.304 0.123 18374 2433 1 9 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.178 -1.139 18374 2434 1 9 . 1 1 23 23 ASP H H 23 9.376 9.376 8.819 0.557 18374 2435 1 9 . 1 1 24 24 VAL N N 24 111.371 111.371 117.802 -6.431 18374 2436 1 9 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.318 -0.758 18374 2437 1 9 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.534 0.182 18374 2438 1 9 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.482 -1.190 18374 2439 1 9 . 1 1 24 24 VAL H H 24 7.402 7.402 7.815 -0.413 18374 2440 1 9 . 1 1 25 25 LEU N N 25 123.908 123.908 128.900 -4.992 18374 2441 1 9 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.497 -0.158 18374 2442 1 9 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.707 -1.185 18374 2443 1 9 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.889 -0.447 18374 2444 1 9 . 1 1 25 25 LEU H H 25 8.328 8.328 8.744 -0.416 18374 2445 1 9 . 1 1 26 26 ARG N N 26 116.626 116.626 119.567 -2.941 18374 2446 1 9 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.278 -0.177 18374 2447 1 9 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.317 -0.662 18374 2448 1 9 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.905 -0.237 18374 2449 1 9 . 1 1 26 26 ARG H H 26 7.877 7.877 8.056 -0.179 18374 2450 1 9 . 1 1 27 27 CYS N N 27 126.328 126.328 121.945 4.383 18374 2451 1 9 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.646 -0.331 18374 2452 1 9 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.277 1.121 18374 2453 1 9 . 1 1 27 27 CYS CB C 27 30.667 30.667 27.521 3.146 18374 2454 1 9 . 1 1 27 27 CYS H H 27 9.182 9.182 8.485 0.697 18374 2455 1 9 . 1 1 28 28 THR N N 28 122.470 122.470 121.442 1.028 18374 2456 1 9 . 1 1 28 28 THR HA H 28 4.166 4.166 4.447 -0.281 18374 2457 1 9 . 1 1 28 28 THR CA C 28 64.686 64.686 63.323 1.363 18374 2458 1 9 . 1 1 28 28 THR CB C 28 69.846 69.846 69.056 0.789 18374 2459 1 9 . 1 1 28 28 THR H H 28 8.956 8.956 8.928 0.028 18374 2460 1 9 . 1 1 29 29 HIS N N 29 123.908 123.908 117.828 6.080 18374 2461 1 9 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.632 0.277 18374 2462 1 9 . 1 1 29 29 HIS CA C 29 58.104 58.104 55.937 2.167 18374 2463 1 9 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.385 -0.840 18374 2464 1 9 . 1 1 29 29 HIS H H 29 9.464 9.464 8.182 1.282 18374 2465 1 9 . 1 1 30 30 CYS N N 30 119.946 119.946 115.291 4.655 18374 2466 1 9 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.777 0.034 18374 2467 1 9 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.830 2.260 18374 2468 1 9 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.661 2.237 18374 2469 1 9 . 1 1 30 30 CYS H H 30 8.710 8.710 7.763 0.947 18374 2470 1 9 . 1 1 31 31 ALA N N 31 120.477 120.477 124.736 -4.259 18374 2471 1 9 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.514 -0.230 18374 2472 1 9 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.867 2.623 18374 2473 1 9 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.871 -1.453 18374 2474 1 9 . 1 1 31 31 ALA H H 31 7.626 7.626 8.355 -0.729 18374 2475 1 9 . 1 1 32 32 ALA N N 32 125.524 125.524 125.433 0.091 18374 2476 1 9 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.594 -0.348 18374 2477 1 9 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.391 1.449 18374 2478 1 9 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.937 -1.603 18374 2479 1 9 . 1 1 32 32 ALA H H 32 9.152 9.152 8.363 0.789 18374 2480 1 9 . 1 1 33 33 ALA N N 33 123.257 123.257 125.031 -1.774 18374 2481 1 9 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.637 -0.227 18374 2482 1 9 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.483 -0.677 18374 2483 1 9 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.613 -0.985 18374 2484 1 9 . 1 1 33 33 ALA H H 33 8.490 8.490 8.580 -0.090 18374 2485 1 9 . 1 1 34 34 PHE N N 34 118.220 118.220 119.840 -1.620 18374 2486 1 9 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.844 0.230 18374 2487 1 9 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.566 -0.804 18374 2488 1 9 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.925 -1.703 18374 2489 1 9 . 1 1 34 34 PHE H H 34 8.948 8.948 8.268 0.680 18374 2490 1 9 . 1 1 35 35 HIS N N 35 116.759 116.759 120.515 -3.756 18374 2491 1 9 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.940 -0.054 18374 2492 1 9 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.558 1.580 18374 2493 1 9 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.699 0.324 18374 2494 1 9 . 1 1 35 35 HIS H H 35 7.932 7.932 8.145 -0.213 18374 2495 1 9 . 1 1 36 36 TRP N N 36 127.649 127.649 126.136 1.513 18374 2496 1 9 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.613 -0.175 18374 2497 1 9 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.049 0.324 18374 2498 1 9 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.797 -0.473 18374 2499 1 9 . 1 1 36 36 TRP H H 36 9.421 9.421 9.174 0.247 18374 2500 1 9 . 1 1 37 37 ARG N N 37 113.040 113.040 116.755 -3.715 18374 2501 1 9 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.323 0.081 18374 2502 1 9 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.788 -1.315 18374 2503 1 9 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.847 -0.680 18374 2504 1 9 . 1 1 37 37 ARG H H 37 9.075 9.075 8.595 0.480 18374 2505 1 9 . 1 1 38 38 CYS N N 38 116.493 116.493 115.029 1.464 18374 2506 1 9 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.468 -0.250 18374 2507 1 9 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.160 2.299 18374 2508 1 9 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.664 3.012 18374 2509 1 9 . 1 1 38 38 CYS H H 38 7.169 7.169 7.964 -0.795 18374 2510 1 9 . 1 1 39 39 HIS N N 39 118.220 118.220 116.325 1.895 18374 2511 1 9 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.376 -0.153 18374 2512 1 9 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.022 1.454 18374 2513 1 9 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.546 3.794 18374 2514 1 9 . 1 1 39 39 HIS H H 39 7.562 7.562 7.580 -0.018 18374 2515 1 9 . 1 1 40 40 PHE N N 40 117.157 117.157 118.351 -1.194 18374 2516 1 9 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.742 0.041 18374 2517 1 9 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.061 -2.402 18374 2518 1 9 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.268 -0.461 18374 2519 1 9 . 1 1 40 40 PHE H H 40 8.282 8.282 8.396 -0.114 18374 2520 1 9 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.325 0.162 18374 2521 1 9 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.359 -0.140 18374 2522 1 9 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.123 0.092 18374 2523 1 9 . 1 1 42 42 ALA N N 42 123.001 123.001 124.091 -1.090 18374 2524 1 9 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.174 0.184 18374 2525 1 9 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.949 -0.936 18374 2526 1 9 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.737 -0.096 18374 2527 1 9 . 1 1 42 42 ALA H H 42 8.635 8.635 8.499 0.136 18374 2528 1 9 . 1 1 43 43 GLY N N 43 108.291 108.291 105.435 2.856 18374 2529 1 9 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.775 0.691 18374 2530 1 9 . 1 1 43 43 GLY H H 43 8.529 8.529 8.045 0.484 18374 2531 1 9 . 1 1 44 44 THR N N 44 113.961 113.961 118.301 -4.340 18374 2532 1 9 . 1 1 44 44 THR HA H 44 4.424 4.424 4.627 -0.203 18374 2533 1 9 . 1 1 44 44 THR CA C 44 62.074 62.074 61.790 0.284 18374 2534 1 9 . 1 1 44 44 THR CB C 44 70.259 70.259 70.241 0.018 18374 2535 1 9 . 1 1 44 44 THR H H 44 7.971 7.971 7.769 0.202 18374 2536 1 9 . 1 1 45 45 SER N N 45 120.467 120.467 122.015 -1.548 18374 2537 1 9 . 1 1 45 45 SER HA H 45 4.280 4.280 4.665 -0.385 18374 2538 1 9 . 1 1 45 45 SER CA C 45 58.274 58.274 57.778 0.496 18374 2539 1 9 . 1 1 45 45 SER CB C 45 63.906 63.906 63.960 -0.054 18374 2540 1 9 . 1 1 45 45 SER H H 45 8.644 8.644 8.639 0.005 18374 2541 1 9 . 1 1 46 46 ARG N N 46 124.196 124.196 125.541 -1.345 18374 2542 1 9 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.393 0.527 18374 2543 1 9 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.127 0.025 18374 2544 1 9 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.732 1.170 18374 2545 1 9 . 1 1 46 46 ARG H H 46 8.197 8.197 8.017 0.180 18374 2546 1 9 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.432 -0.134 18374 2547 1 9 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.142 0.676 18374 2548 1 9 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.713 -0.527 18374 2549 1 9 . 1 1 48 48 GLY N N 48 108.071 108.071 108.488 -0.417 18374 2550 1 9 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.565 0.114 18374 2551 1 9 . 1 1 48 48 GLY H H 48 8.492 8.492 8.508 -0.016 18374 2552 1 9 . 1 1 49 49 THR N N 49 111.151 111.151 113.912 -2.761 18374 2553 1 9 . 1 1 49 49 THR HA H 49 4.377 4.377 4.368 0.009 18374 2554 1 9 . 1 1 49 49 THR CA C 49 60.690 60.690 61.275 -0.585 18374 2555 1 9 . 1 1 49 49 THR CB C 49 70.332 70.332 67.489 2.843 18374 2556 1 9 . 1 1 49 49 THR H H 49 7.669 7.669 7.655 0.014 18374 2557 1 9 . 1 1 50 50 GLY N N 50 110.491 110.491 112.427 -1.936 18374 2558 1 9 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.547 1.634 18374 2559 1 9 . 1 1 50 50 GLY H H 50 8.459 8.459 8.231 0.228 18374 2560 1 9 . 1 1 51 51 LEU N N 51 121.407 121.407 121.506 -0.099 18374 2561 1 9 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.384 -0.102 18374 2562 1 9 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.760 1.608 18374 2563 1 9 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.208 0.611 18374 2564 1 9 . 1 1 51 51 LEU H H 51 8.248 8.248 8.264 -0.016 18374 2565 1 9 . 1 1 52 52 ARG N N 52 124.997 124.997 125.588 -0.591 18374 2566 1 9 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.791 1.056 18374 2567 1 9 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.525 -0.394 18374 2568 1 9 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.102 1.883 18374 2569 1 9 . 1 1 52 52 ARG H H 52 8.639 8.639 8.430 0.209 18374 2570 1 9 . 1 1 53 53 CYS N N 53 120.743 120.743 122.173 -1.430 18374 2571 1 9 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.689 -1.196 18374 2572 1 9 . 1 1 53 53 CYS CA C 53 57.204 57.204 58.069 -0.865 18374 2573 1 9 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.738 2.041 18374 2574 1 9 . 1 1 53 53 CYS H H 53 8.933 8.933 8.711 0.222 18374 2575 1 9 . 1 1 54 54 ARG N N 54 121.407 121.407 121.276 0.131 18374 2576 1 9 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.058 -0.248 18374 2577 1 9 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.228 0.159 18374 2578 1 9 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.729 -0.846 18374 2579 1 9 . 1 1 54 54 ARG H H 54 10.380 10.380 8.722 1.658 18374 2580 1 9 . 1 1 55 55 SER N N 55 117.300 117.300 113.646 3.654 18374 2581 1 9 . 1 1 55 55 SER HA H 55 4.258 4.258 4.226 0.032 18374 2582 1 9 . 1 1 55 55 SER CA C 55 61.216 61.216 61.330 -0.114 18374 2583 1 9 . 1 1 55 55 SER CB C 55 62.830 62.830 63.024 -0.194 18374 2584 1 9 . 1 1 55 55 SER H H 55 8.228 8.228 8.070 0.158 18374 2585 1 9 . 1 1 56 56 CYS N N 56 122.602 122.602 117.735 4.867 18374 2586 1 9 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.530 -0.344 18374 2587 1 9 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.483 0.759 18374 2588 1 9 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.171 2.745 18374 2589 1 9 . 1 1 56 56 CYS H H 56 7.999 7.999 7.685 0.314 18374 2590 1 9 . 1 1 57 57 SER N N 57 115.430 115.430 112.855 2.575 18374 2591 1 9 . 1 1 57 57 SER HA H 57 4.266 4.266 4.448 -0.182 18374 2592 1 9 . 1 1 57 57 SER CA C 57 59.992 59.992 59.912 0.080 18374 2593 1 9 . 1 1 57 57 SER CB C 57 63.492 63.492 63.608 -0.115 18374 2594 1 9 . 1 1 57 57 SER H H 57 7.938 7.938 8.445 -0.507 18374 2595 1 9 . 1 1 58 58 GLY N N 58 109.391 109.391 111.312 -1.921 18374 2596 1 9 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.494 0.932 18374 2597 1 9 . 1 1 58 58 GLY H H 58 8.013 8.013 7.506 0.507 18374 2598 1 9 . 1 1 59 59 ASP N N 59 120.345 120.345 122.712 -2.367 18374 2599 1 9 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.602 -0.011 18374 2600 1 9 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.755 0.537 18374 2601 1 9 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.499 -0.416 18374 2602 1 9 . 1 1 59 59 ASP H H 59 8.130 8.130 8.024 0.106 18374 2603 1 9 . 1 1 60 60 VAL N N 60 119.548 119.548 122.897 -3.349 18374 2604 1 9 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.344 -0.186 18374 2605 1 9 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.302 0.613 18374 2606 1 9 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.080 -1.565 18374 2607 1 9 . 1 1 60 60 VAL H H 60 8.072 8.072 8.056 0.016 18374 2608 1 9 . 1 1 61 61 THR N N 61 121.407 121.407 122.839 -1.432 18374 2609 1 9 . 1 1 61 61 THR HA H 61 4.509 4.509 4.713 -0.204 18374 2610 1 9 . 1 1 61 61 THR CA C 61 59.848 59.848 60.917 -1.069 18374 2611 1 9 . 1 1 61 61 THR CB C 61 69.602 69.602 69.022 0.580 18374 2612 1 9 . 1 1 61 61 THR H H 61 8.335 8.335 8.127 0.208 18374 2613 1 9 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.516 -0.154 18374 2614 1 9 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.825 0.077 18374 2615 1 9 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.469 -0.520 18374 2616 1 9 . 1 1 63 63 ALA N N 63 125.923 125.923 127.320 -1.397 18374 2617 1 9 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.486 0.052 18374 2618 1 9 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.422 -0.154 18374 2619 1 9 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.894 -1.194 18374 2620 1 9 . 1 1 63 63 ALA H H 63 8.368 8.368 8.305 0.063 18374 2621 1 9 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.452 -0.042 18374 2622 1 9 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.503 -0.606 18374 2623 1 9 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.664 1.260 18374 2624 1 9 . 1 1 65 65 VAL N N 65 120.526 120.526 122.776 -2.250 18374 2625 1 9 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.317 -0.244 18374 2626 1 9 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.543 1.783 18374 2627 1 9 . 1 1 65 65 VAL CB C 65 32.080 32.080 35.803 -3.723 18374 2628 1 9 . 1 1 65 65 VAL H H 65 8.270 8.270 8.041 0.229 18374 2629 1 10 . 1 1 2 2 ALA N N 2 123.688 123.688 122.248 1.440 18374 2630 1 10 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.192 0.106 18374 2631 1 10 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.207 0.503 18374 2632 1 10 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.083 0.152 18374 2633 1 10 . 1 1 2 2 ALA H H 2 8.653 8.653 8.153 0.500 18374 2634 1 10 . 1 1 3 3 MET N N 3 119.289 119.289 119.790 -0.501 18374 2635 1 10 . 1 1 3 3 MET HA H 3 4.426 4.426 4.234 0.192 18374 2636 1 10 . 1 1 3 3 MET CA C 3 55.430 55.430 56.829 -1.399 18374 2637 1 10 . 1 1 3 3 MET CB C 3 32.532 32.532 33.089 -0.557 18374 2638 1 10 . 1 1 3 3 MET H H 3 8.545 8.545 8.421 0.124 18374 2639 1 10 . 1 1 4 4 GLU N N 4 122.149 122.149 116.246 5.903 18374 2640 1 10 . 1 1 4 4 GLU HA H 4 4.244 4.244 3.864 0.380 18374 2641 1 10 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.812 -0.781 18374 2642 1 10 . 1 1 4 4 GLU CB C 4 30.006 30.006 28.294 1.712 18374 2643 1 10 . 1 1 4 4 GLU H H 4 8.440 8.440 8.166 0.274 18374 2644 1 10 . 1 1 5 5 GLY N N 5 110.051 110.051 107.054 2.997 18374 2645 1 10 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.127 0.281 18374 2646 1 10 . 1 1 5 5 GLY H H 5 8.500 8.500 8.035 0.465 18374 2647 1 10 . 1 1 6 6 GLN N N 6 119.509 119.509 121.816 -2.307 18374 2648 1 10 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.090 0.196 18374 2649 1 10 . 1 1 6 6 GLN CA C 6 56.000 56.000 58.327 -2.327 18374 2650 1 10 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.613 0.595 18374 2651 1 10 . 1 1 6 6 GLN H H 6 8.242 8.242 8.788 -0.546 18374 2652 1 10 . 1 1 7 7 GLN N N 7 121.049 121.049 115.286 5.763 18374 2653 1 10 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.329 -0.068 18374 2654 1 10 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.700 0.404 18374 2655 1 10 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.399 0.805 18374 2656 1 10 . 1 1 7 7 GLN H H 7 8.534 8.534 8.301 0.233 18374 2657 1 10 . 1 1 8 8 ASN N N 8 119.289 119.289 120.117 -0.828 18374 2658 1 10 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.686 -0.041 18374 2659 1 10 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.196 -0.089 18374 2660 1 10 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.509 0.010 18374 2661 1 10 . 1 1 8 8 ASN H H 8 8.486 8.486 7.596 0.890 18374 2662 1 10 . 1 1 9 9 LEU N N 9 122.204 122.204 127.293 -5.089 18374 2663 1 10 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.500 -0.209 18374 2664 1 10 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.183 0.533 18374 2665 1 10 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.983 -0.586 18374 2666 1 10 . 1 1 9 9 LEU H H 9 8.145 8.145 7.726 0.419 18374 2667 1 10 . 1 1 10 10 ALA N N 10 126.188 126.188 130.347 -4.159 18374 2668 1 10 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.541 -0.009 18374 2669 1 10 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.691 -0.354 18374 2670 1 10 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.319 -0.526 18374 2671 1 10 . 1 1 10 10 ALA H H 10 8.324 8.324 8.397 -0.073 18374 2672 1 10 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.343 0.021 18374 2673 1 10 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.482 0.426 18374 2674 1 10 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.887 1.982 18374 2675 1 10 . 1 1 12 12 GLY N N 12 108.951 108.951 108.538 0.413 18374 2676 1 10 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.392 -0.171 18374 2677 1 10 . 1 1 12 12 GLY H H 12 8.501 8.501 8.069 0.432 18374 2678 1 10 . 1 1 13 13 ALA N N 13 123.134 123.134 124.838 -1.704 18374 2679 1 10 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.296 -0.062 18374 2680 1 10 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.476 -0.367 18374 2681 1 10 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.081 1.444 18374 2682 1 10 . 1 1 13 13 ALA H H 13 7.957 7.957 8.232 -0.275 18374 2683 1 10 . 1 1 14 14 ARG N N 14 116.759 116.759 122.670 -5.911 18374 2684 1 10 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.526 -0.407 18374 2685 1 10 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.886 -1.076 18374 2686 1 10 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.251 -1.798 18374 2687 1 10 . 1 1 14 14 ARG H H 14 7.990 7.990 7.889 0.101 18374 2688 1 10 . 1 1 15 15 CYS N N 15 123.688 123.688 124.330 -0.642 18374 2689 1 10 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.653 -0.636 18374 2690 1 10 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.143 -0.033 18374 2691 1 10 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.511 4.546 18374 2692 1 10 . 1 1 15 15 CYS H H 15 7.646 7.646 8.577 -0.931 18374 2693 1 10 . 1 1 16 16 GLY N N 16 117.749 117.749 116.119 1.630 18374 2694 1 10 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.789 -0.004 18374 2695 1 10 . 1 1 16 16 GLY H H 16 8.916 8.916 9.038 -0.122 18374 2696 1 10 . 1 1 17 17 VAL N N 17 122.602 122.602 121.588 1.014 18374 2697 1 10 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.920 0.094 18374 2698 1 10 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.721 0.310 18374 2699 1 10 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.177 0.663 18374 2700 1 10 . 1 1 17 17 VAL H H 17 8.856 8.856 8.000 0.856 18374 2701 1 10 . 1 1 18 18 CYS N N 18 115.430 115.430 114.495 0.935 18374 2702 1 10 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.943 -0.017 18374 2703 1 10 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.215 -0.036 18374 2704 1 10 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.302 1.308 18374 2705 1 10 . 1 1 18 18 CYS H H 18 7.758 7.758 8.033 -0.275 18374 2706 1 10 . 1 1 19 19 GLY N N 19 113.040 113.040 111.374 1.666 18374 2707 1 10 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.304 1.053 18374 2708 1 10 . 1 1 19 19 GLY H H 19 8.029 8.029 8.703 -0.674 18374 2709 1 10 . 1 1 20 20 ASP N N 20 123.399 123.399 120.225 3.174 18374 2710 1 10 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.883 0.124 18374 2711 1 10 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.236 0.278 18374 2712 1 10 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.599 0.944 18374 2713 1 10 . 1 1 20 20 ASP H H 20 8.722 8.722 7.667 1.055 18374 2714 1 10 . 1 1 21 21 GLY N N 21 111.371 111.371 108.995 2.376 18374 2715 1 10 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.499 0.608 18374 2716 1 10 . 1 1 21 21 GLY H H 21 8.667 8.667 8.591 0.076 18374 2717 1 10 . 1 1 22 22 THR N N 22 118.220 118.220 119.309 -1.089 18374 2718 1 10 . 1 1 22 22 THR HA H 22 3.979 3.979 4.352 -0.373 18374 2719 1 10 . 1 1 22 22 THR CA C 22 64.367 64.367 63.703 0.664 18374 2720 1 10 . 1 1 22 22 THR CB C 22 67.783 67.783 68.987 -1.204 18374 2721 1 10 . 1 1 22 22 THR H H 22 8.784 8.784 8.707 0.077 18374 2722 1 10 . 1 1 23 23 ASP N N 23 127.251 127.251 123.916 3.335 18374 2723 1 10 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.271 0.030 18374 2724 1 10 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.209 0.218 18374 2725 1 10 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.785 -0.746 18374 2726 1 10 . 1 1 23 23 ASP H H 23 9.376 9.376 8.904 0.472 18374 2727 1 10 . 1 1 24 24 VAL N N 24 111.371 111.371 113.004 -1.633 18374 2728 1 10 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.345 -0.785 18374 2729 1 10 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.349 0.367 18374 2730 1 10 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.910 -0.618 18374 2731 1 10 . 1 1 24 24 VAL H H 24 7.402 7.402 7.973 -0.571 18374 2732 1 10 . 1 1 25 25 LEU N N 25 123.908 123.908 125.571 -1.663 18374 2733 1 10 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.480 -0.141 18374 2734 1 10 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.168 -1.646 18374 2735 1 10 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.839 -0.397 18374 2736 1 10 . 1 1 25 25 LEU H H 25 8.328 8.328 8.705 -0.377 18374 2737 1 10 . 1 1 26 26 ARG N N 26 116.626 116.626 120.248 -3.622 18374 2738 1 10 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.248 -0.147 18374 2739 1 10 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.422 -1.767 18374 2740 1 10 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.589 0.079 18374 2741 1 10 . 1 1 26 26 ARG H H 26 7.877 7.877 8.083 -0.206 18374 2742 1 10 . 1 1 27 27 CYS N N 27 126.328 126.328 124.582 1.746 18374 2743 1 10 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.750 -0.435 18374 2744 1 10 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.091 1.307 18374 2745 1 10 . 1 1 27 27 CYS CB C 27 30.667 30.667 27.826 2.841 18374 2746 1 10 . 1 1 27 27 CYS H H 27 9.182 9.182 8.451 0.731 18374 2747 1 10 . 1 1 28 28 THR N N 28 122.470 122.470 121.533 0.937 18374 2748 1 10 . 1 1 28 28 THR HA H 28 4.166 4.166 4.371 -0.205 18374 2749 1 10 . 1 1 28 28 THR CA C 28 64.686 64.686 63.477 1.208 18374 2750 1 10 . 1 1 28 28 THR CB C 28 69.846 69.846 69.145 0.701 18374 2751 1 10 . 1 1 28 28 THR H H 28 8.956 8.956 8.790 0.166 18374 2752 1 10 . 1 1 29 29 HIS N N 29 123.908 123.908 119.208 4.700 18374 2753 1 10 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.628 0.281 18374 2754 1 10 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.164 0.940 18374 2755 1 10 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.421 -0.876 18374 2756 1 10 . 1 1 29 29 HIS H H 29 9.464 9.464 8.239 1.225 18374 2757 1 10 . 1 1 30 30 CYS N N 30 119.946 119.946 113.995 5.951 18374 2758 1 10 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.782 0.029 18374 2759 1 10 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.344 2.746 18374 2760 1 10 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.964 1.934 18374 2761 1 10 . 1 1 30 30 CYS H H 30 8.710 8.710 7.780 0.930 18374 2762 1 10 . 1 1 31 31 ALA N N 31 120.477 120.477 124.786 -4.309 18374 2763 1 10 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.488 -0.204 18374 2764 1 10 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.708 2.782 18374 2765 1 10 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.273 -1.855 18374 2766 1 10 . 1 1 31 31 ALA H H 31 7.626 7.626 8.476 -0.850 18374 2767 1 10 . 1 1 32 32 ALA N N 32 125.524 125.524 125.256 0.268 18374 2768 1 10 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.580 -0.334 18374 2769 1 10 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.529 1.311 18374 2770 1 10 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.523 -1.189 18374 2771 1 10 . 1 1 32 32 ALA H H 32 9.152 9.152 8.243 0.909 18374 2772 1 10 . 1 1 33 33 ALA N N 33 123.257 123.257 125.709 -2.452 18374 2773 1 10 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.568 -0.158 18374 2774 1 10 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.427 -0.621 18374 2775 1 10 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.242 -0.614 18374 2776 1 10 . 1 1 33 33 ALA H H 33 8.490 8.490 8.563 -0.073 18374 2777 1 10 . 1 1 34 34 PHE N N 34 118.220 118.220 120.550 -2.330 18374 2778 1 10 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.761 0.313 18374 2779 1 10 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.509 -0.747 18374 2780 1 10 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.789 -1.567 18374 2781 1 10 . 1 1 34 34 PHE H H 34 8.948 8.948 8.634 0.314 18374 2782 1 10 . 1 1 35 35 HIS N N 35 116.759 116.759 119.806 -3.047 18374 2783 1 10 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.910 -0.024 18374 2784 1 10 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.462 1.677 18374 2785 1 10 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.101 -0.078 18374 2786 1 10 . 1 1 35 35 HIS H H 35 7.932 7.932 8.020 -0.088 18374 2787 1 10 . 1 1 36 36 TRP N N 36 127.649 127.649 127.075 0.574 18374 2788 1 10 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.594 -0.156 18374 2789 1 10 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.944 0.429 18374 2790 1 10 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.015 -0.691 18374 2791 1 10 . 1 1 36 36 TRP H H 36 9.421 9.421 9.064 0.357 18374 2792 1 10 . 1 1 37 37 ARG N N 37 113.040 113.040 115.091 -2.051 18374 2793 1 10 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.477 -0.073 18374 2794 1 10 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.210 -0.737 18374 2795 1 10 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.676 -0.509 18374 2796 1 10 . 1 1 37 37 ARG H H 37 9.075 9.075 8.442 0.633 18374 2797 1 10 . 1 1 38 38 CYS N N 38 116.493 116.493 116.025 0.468 18374 2798 1 10 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.547 -0.329 18374 2799 1 10 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.248 2.211 18374 2800 1 10 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.891 2.785 18374 2801 1 10 . 1 1 38 38 CYS H H 38 7.169 7.169 7.765 -0.596 18374 2802 1 10 . 1 1 39 39 HIS N N 39 118.220 118.220 116.351 1.869 18374 2803 1 10 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.315 -0.092 18374 2804 1 10 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.326 1.150 18374 2805 1 10 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.013 4.327 18374 2806 1 10 . 1 1 39 39 HIS H H 39 7.562 7.562 7.598 -0.036 18374 2807 1 10 . 1 1 40 40 PHE N N 40 117.157 117.157 117.794 -0.637 18374 2808 1 10 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.774 0.009 18374 2809 1 10 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.108 -2.449 18374 2810 1 10 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.100 -0.293 18374 2811 1 10 . 1 1 40 40 PHE H H 40 8.282 8.282 8.120 0.162 18374 2812 1 10 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.424 0.063 18374 2813 1 10 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.166 0.053 18374 2814 1 10 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.078 0.137 18374 2815 1 10 . 1 1 42 42 ALA N N 42 123.001 123.001 124.901 -1.900 18374 2816 1 10 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.221 0.137 18374 2817 1 10 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.969 -0.956 18374 2818 1 10 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.593 0.048 18374 2819 1 10 . 1 1 42 42 ALA H H 42 8.635 8.635 8.600 0.035 18374 2820 1 10 . 1 1 43 43 GLY N N 43 108.291 108.291 105.160 3.131 18374 2821 1 10 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.812 0.654 18374 2822 1 10 . 1 1 43 43 GLY H H 43 8.529 8.529 8.090 0.439 18374 2823 1 10 . 1 1 44 44 THR N N 44 113.961 113.961 118.111 -4.150 18374 2824 1 10 . 1 1 44 44 THR HA H 44 4.424 4.424 4.546 -0.122 18374 2825 1 10 . 1 1 44 44 THR CA C 44 62.074 62.074 62.094 -0.020 18374 2826 1 10 . 1 1 44 44 THR CB C 44 70.259 70.259 70.133 0.126 18374 2827 1 10 . 1 1 44 44 THR H H 44 7.971 7.971 7.765 0.206 18374 2828 1 10 . 1 1 45 45 SER N N 45 120.467 120.467 121.304 -0.837 18374 2829 1 10 . 1 1 45 45 SER HA H 45 4.280 4.280 4.531 -0.251 18374 2830 1 10 . 1 1 45 45 SER CA C 45 58.274 58.274 58.214 0.060 18374 2831 1 10 . 1 1 45 45 SER CB C 45 63.906 63.906 64.501 -0.595 18374 2832 1 10 . 1 1 45 45 SER H H 45 8.644 8.644 8.564 0.080 18374 2833 1 10 . 1 1 46 46 ARG N N 46 124.196 124.196 122.862 1.334 18374 2834 1 10 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.981 -0.061 18374 2835 1 10 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.386 -0.234 18374 2836 1 10 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.483 0.419 18374 2837 1 10 . 1 1 46 46 ARG H H 46 8.197 8.197 8.384 -0.187 18374 2838 1 10 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.410 -0.112 18374 2839 1 10 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.580 0.239 18374 2840 1 10 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.888 -0.702 18374 2841 1 10 . 1 1 48 48 GLY N N 48 108.071 108.071 110.474 -2.403 18374 2842 1 10 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.522 0.157 18374 2843 1 10 . 1 1 48 48 GLY H H 48 8.492 8.492 8.601 -0.109 18374 2844 1 10 . 1 1 49 49 THR N N 49 111.151 111.151 113.537 -2.386 18374 2845 1 10 . 1 1 49 49 THR HA H 49 4.377 4.377 4.409 -0.032 18374 2846 1 10 . 1 1 49 49 THR CA C 49 60.690 60.690 61.488 -0.798 18374 2847 1 10 . 1 1 49 49 THR CB C 49 70.332 70.332 68.151 2.180 18374 2848 1 10 . 1 1 49 49 THR H H 49 7.669 7.669 7.722 -0.053 18374 2849 1 10 . 1 1 50 50 GLY N N 50 110.491 110.491 108.979 1.512 18374 2850 1 10 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.621 1.560 18374 2851 1 10 . 1 1 50 50 GLY H H 50 8.459 8.459 7.252 1.207 18374 2852 1 10 . 1 1 51 51 LEU N N 51 121.407 121.407 122.953 -1.546 18374 2853 1 10 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.221 0.061 18374 2854 1 10 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.515 0.853 18374 2855 1 10 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.080 0.739 18374 2856 1 10 . 1 1 51 51 LEU H H 51 8.248 8.248 8.403 -0.155 18374 2857 1 10 . 1 1 52 52 ARG N N 52 124.997 124.997 125.390 -0.393 18374 2858 1 10 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.726 1.121 18374 2859 1 10 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.908 -0.777 18374 2860 1 10 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.884 2.101 18374 2861 1 10 . 1 1 52 52 ARG H H 52 8.639 8.639 8.240 0.399 18374 2862 1 10 . 1 1 53 53 CYS N N 53 120.743 120.743 120.768 -0.025 18374 2863 1 10 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.562 -1.069 18374 2864 1 10 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.797 0.407 18374 2865 1 10 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.468 1.311 18374 2866 1 10 . 1 1 53 53 CYS H H 53 8.933 8.933 8.403 0.530 18374 2867 1 10 . 1 1 54 54 ARG N N 54 121.407 121.407 119.977 1.430 18374 2868 1 10 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.979 -0.169 18374 2869 1 10 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.175 0.212 18374 2870 1 10 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.738 -0.855 18374 2871 1 10 . 1 1 54 54 ARG H H 54 10.380 10.380 8.522 1.858 18374 2872 1 10 . 1 1 55 55 SER N N 55 117.300 117.300 116.022 1.278 18374 2873 1 10 . 1 1 55 55 SER HA H 55 4.258 4.258 4.629 -0.371 18374 2874 1 10 . 1 1 55 55 SER CA C 55 61.216 61.216 61.252 -0.036 18374 2875 1 10 . 1 1 55 55 SER CB C 55 62.830 62.830 63.344 -0.514 18374 2876 1 10 . 1 1 55 55 SER H H 55 8.228 8.228 8.098 0.130 18374 2877 1 10 . 1 1 56 56 CYS N N 56 122.602 122.602 118.731 3.871 18374 2878 1 10 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.357 -0.171 18374 2879 1 10 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.930 0.312 18374 2880 1 10 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.956 3.959 18374 2881 1 10 . 1 1 56 56 CYS H H 56 7.999 7.999 7.913 0.086 18374 2882 1 10 . 1 1 57 57 SER N N 57 115.430 115.430 113.437 1.993 18374 2883 1 10 . 1 1 57 57 SER HA H 57 4.266 4.266 4.484 -0.218 18374 2884 1 10 . 1 1 57 57 SER CA C 57 59.992 59.992 58.347 1.645 18374 2885 1 10 . 1 1 57 57 SER CB C 57 63.492 63.492 63.111 0.381 18374 2886 1 10 . 1 1 57 57 SER H H 57 7.938 7.938 7.475 0.463 18374 2887 1 10 . 1 1 58 58 GLY N N 58 109.391 109.391 108.798 0.593 18374 2888 1 10 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.567 0.859 18374 2889 1 10 . 1 1 58 58 GLY H H 58 8.013 8.013 7.280 0.733 18374 2890 1 10 . 1 1 59 59 ASP N N 59 120.345 120.345 120.527 -0.182 18374 2891 1 10 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.658 -0.067 18374 2892 1 10 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.402 0.890 18374 2893 1 10 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.411 -1.328 18374 2894 1 10 . 1 1 59 59 ASP H H 59 8.130 8.130 8.396 -0.266 18374 2895 1 10 . 1 1 60 60 VAL N N 60 119.548 119.548 127.690 -8.142 18374 2896 1 10 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.155 0.003 18374 2897 1 10 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.205 -0.290 18374 2898 1 10 . 1 1 60 60 VAL CB C 60 32.515 32.515 31.251 1.264 18374 2899 1 10 . 1 1 60 60 VAL H H 60 8.072 8.072 8.443 -0.371 18374 2900 1 10 . 1 1 61 61 THR N N 61 121.407 121.407 122.791 -1.384 18374 2901 1 10 . 1 1 61 61 THR HA H 61 4.509 4.509 4.513 -0.004 18374 2902 1 10 . 1 1 61 61 THR CA C 61 59.848 59.848 60.749 -0.902 18374 2903 1 10 . 1 1 61 61 THR CB C 61 69.602 69.602 69.164 0.438 18374 2904 1 10 . 1 1 61 61 THR H H 61 8.335 8.335 7.849 0.486 18374 2905 1 10 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.432 -0.070 18374 2906 1 10 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.943 -0.040 18374 2907 1 10 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.400 -0.451 18374 2908 1 10 . 1 1 63 63 ALA N N 63 125.923 125.923 128.315 -2.392 18374 2909 1 10 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.439 0.099 18374 2910 1 10 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.486 -0.218 18374 2911 1 10 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.858 -1.158 18374 2912 1 10 . 1 1 63 63 ALA H H 63 8.368 8.368 8.432 -0.064 18374 2913 1 10 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.630 -0.220 18374 2914 1 10 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.841 0.056 18374 2915 1 10 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.665 1.259 18374 2916 1 10 . 1 1 65 65 VAL N N 65 120.526 120.526 122.283 -1.757 18374 2917 1 10 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.149 -0.076 18374 2918 1 10 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.131 0.195 18374 2919 1 10 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.655 0.425 18374 2920 1 10 . 1 1 65 65 VAL H H 65 8.270 8.270 8.032 0.238 18374 2921 1 11 . 1 1 2 2 ALA N N 2 123.688 123.688 122.728 0.960 18374 2922 1 11 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.669 -0.371 18374 2923 1 11 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.347 1.363 18374 2924 1 11 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.676 -0.441 18374 2925 1 11 . 1 1 2 2 ALA H H 2 8.653 8.653 8.189 0.464 18374 2926 1 11 . 1 1 3 3 MET N N 3 119.289 119.289 120.658 -1.369 18374 2927 1 11 . 1 1 3 3 MET HA H 3 4.426 4.426 4.660 -0.234 18374 2928 1 11 . 1 1 3 3 MET CA C 3 55.430 55.430 54.559 0.872 18374 2929 1 11 . 1 1 3 3 MET CB C 3 32.532 32.532 31.759 0.773 18374 2930 1 11 . 1 1 3 3 MET H H 3 8.545 8.545 8.161 0.384 18374 2931 1 11 . 1 1 4 4 GLU N N 4 122.149 122.149 123.786 -1.637 18374 2932 1 11 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.359 -0.115 18374 2933 1 11 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.629 0.402 18374 2934 1 11 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.405 -0.399 18374 2935 1 11 . 1 1 4 4 GLU H H 4 8.440 8.440 8.563 -0.123 18374 2936 1 11 . 1 1 5 5 GLY N N 5 110.051 110.051 111.583 -1.532 18374 2937 1 11 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.487 0.921 18374 2938 1 11 . 1 1 5 5 GLY H H 5 8.500 8.500 8.116 0.384 18374 2939 1 11 . 1 1 6 6 GLN N N 6 119.509 119.509 120.366 -0.857 18374 2940 1 11 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.318 -0.032 18374 2941 1 11 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.423 0.577 18374 2942 1 11 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.485 0.723 18374 2943 1 11 . 1 1 6 6 GLN H H 6 8.242 8.242 8.521 -0.279 18374 2944 1 11 . 1 1 7 7 GLN N N 7 121.049 121.049 119.921 1.128 18374 2945 1 11 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.418 -0.157 18374 2946 1 11 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.035 1.069 18374 2947 1 11 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.204 1.000 18374 2948 1 11 . 1 1 7 7 GLN H H 7 8.534 8.534 7.628 0.906 18374 2949 1 11 . 1 1 8 8 ASN N N 8 119.289 119.289 121.619 -2.330 18374 2950 1 11 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.658 -0.013 18374 2951 1 11 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.762 -0.655 18374 2952 1 11 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.671 -0.152 18374 2953 1 11 . 1 1 8 8 ASN H H 8 8.486 8.486 8.653 -0.167 18374 2954 1 11 . 1 1 9 9 LEU N N 9 122.204 122.204 122.076 0.128 18374 2955 1 11 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.483 -0.192 18374 2956 1 11 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.082 0.634 18374 2957 1 11 . 1 1 9 9 LEU CB C 9 42.397 42.397 39.272 3.125 18374 2958 1 11 . 1 1 9 9 LEU H H 9 8.145 8.145 7.830 0.315 18374 2959 1 11 . 1 1 10 10 ALA N N 10 126.188 126.188 124.830 1.358 18374 2960 1 11 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.692 -0.160 18374 2961 1 11 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.809 0.529 18374 2962 1 11 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.901 -2.108 18374 2963 1 11 . 1 1 10 10 ALA H H 10 8.324 8.324 7.724 0.600 18374 2964 1 11 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.458 -0.094 18374 2965 1 11 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.110 0.798 18374 2966 1 11 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.443 -0.574 18374 2967 1 11 . 1 1 12 12 GLY N N 12 108.951 108.951 107.099 1.852 18374 2968 1 11 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.737 0.484 18374 2969 1 11 . 1 1 12 12 GLY H H 12 8.501 8.501 8.292 0.209 18374 2970 1 11 . 1 1 13 13 ALA N N 13 123.134 123.134 125.541 -2.407 18374 2971 1 11 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.573 -0.339 18374 2972 1 11 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.065 0.044 18374 2973 1 11 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.483 0.042 18374 2974 1 11 . 1 1 13 13 ALA H H 13 7.957 7.957 8.306 -0.349 18374 2975 1 11 . 1 1 14 14 ARG N N 14 116.759 116.759 120.768 -4.009 18374 2976 1 11 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.575 -0.456 18374 2977 1 11 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.740 -1.930 18374 2978 1 11 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.228 -1.775 18374 2979 1 11 . 1 1 14 14 ARG H H 14 7.990 7.990 7.957 0.033 18374 2980 1 11 . 1 1 15 15 CYS N N 15 123.688 123.688 126.320 -2.632 18374 2981 1 11 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.989 -0.972 18374 2982 1 11 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.584 1.526 18374 2983 1 11 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.070 3.987 18374 2984 1 11 . 1 1 15 15 CYS H H 15 7.646 7.646 8.438 -0.792 18374 2985 1 11 . 1 1 16 16 GLY N N 16 117.749 117.749 115.787 1.962 18374 2986 1 11 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.385 0.400 18374 2987 1 11 . 1 1 16 16 GLY H H 16 8.916 8.916 9.104 -0.188 18374 2988 1 11 . 1 1 17 17 VAL N N 17 122.602 122.602 121.105 1.497 18374 2989 1 11 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.846 0.168 18374 2990 1 11 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.457 0.574 18374 2991 1 11 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.114 0.726 18374 2992 1 11 . 1 1 17 17 VAL H H 17 8.856 8.856 8.062 0.794 18374 2993 1 11 . 1 1 18 18 CYS N N 18 115.430 115.430 114.023 1.407 18374 2994 1 11 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.965 -0.039 18374 2995 1 11 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.429 -0.250 18374 2996 1 11 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.488 0.123 18374 2997 1 11 . 1 1 18 18 CYS H H 18 7.758 7.758 7.998 -0.240 18374 2998 1 11 . 1 1 19 19 GLY N N 19 113.040 113.040 110.636 2.404 18374 2999 1 11 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.113 1.244 18374 3000 1 11 . 1 1 19 19 GLY H H 19 8.029 8.029 8.674 -0.645 18374 3001 1 11 . 1 1 20 20 ASP N N 20 123.399 123.399 122.574 0.825 18374 3002 1 11 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.900 0.107 18374 3003 1 11 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.758 -1.244 18374 3004 1 11 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.560 1.982 18374 3005 1 11 . 1 1 20 20 ASP H H 20 8.722 8.722 7.792 0.930 18374 3006 1 11 . 1 1 21 21 GLY N N 21 111.371 111.371 108.512 2.859 18374 3007 1 11 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.851 0.256 18374 3008 1 11 . 1 1 21 21 GLY H H 21 8.667 8.667 8.586 0.081 18374 3009 1 11 . 1 1 22 22 THR N N 22 118.220 118.220 116.478 1.742 18374 3010 1 11 . 1 1 22 22 THR HA H 22 3.979 3.979 4.317 -0.338 18374 3011 1 11 . 1 1 22 22 THR CA C 22 64.367 64.367 62.721 1.646 18374 3012 1 11 . 1 1 22 22 THR CB C 22 67.783 67.783 69.540 -1.757 18374 3013 1 11 . 1 1 22 22 THR H H 22 8.784 8.784 7.578 1.206 18374 3014 1 11 . 1 1 23 23 ASP N N 23 127.251 127.251 123.841 3.410 18374 3015 1 11 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.306 -0.005 18374 3016 1 11 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.905 0.522 18374 3017 1 11 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.398 -1.359 18374 3018 1 11 . 1 1 23 23 ASP H H 23 9.376 9.376 8.941 0.435 18374 3019 1 11 . 1 1 24 24 VAL N N 24 111.371 111.371 112.339 -0.968 18374 3020 1 11 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.359 -0.799 18374 3021 1 11 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.941 0.775 18374 3022 1 11 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.457 -0.165 18374 3023 1 11 . 1 1 24 24 VAL H H 24 7.402 7.402 7.677 -0.275 18374 3024 1 11 . 1 1 25 25 LEU N N 25 123.908 123.908 124.823 -0.915 18374 3025 1 11 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.452 -0.113 18374 3026 1 11 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.502 -0.980 18374 3027 1 11 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.470 -1.028 18374 3028 1 11 . 1 1 25 25 LEU H H 25 8.328 8.328 8.621 -0.293 18374 3029 1 11 . 1 1 26 26 ARG N N 26 116.626 116.626 119.041 -2.415 18374 3030 1 11 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.442 -0.341 18374 3031 1 11 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.421 -0.766 18374 3032 1 11 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.710 -0.042 18374 3033 1 11 . 1 1 26 26 ARG H H 26 7.877 7.877 8.008 -0.131 18374 3034 1 11 . 1 1 27 27 CYS N N 27 126.328 126.328 121.071 5.257 18374 3035 1 11 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.918 -0.603 18374 3036 1 11 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.233 2.165 18374 3037 1 11 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.949 1.718 18374 3038 1 11 . 1 1 27 27 CYS H H 27 9.182 9.182 8.476 0.706 18374 3039 1 11 . 1 1 28 28 THR N N 28 122.470 122.470 120.161 2.309 18374 3040 1 11 . 1 1 28 28 THR HA H 28 4.166 4.166 4.424 -0.258 18374 3041 1 11 . 1 1 28 28 THR CA C 28 64.686 64.686 64.009 0.677 18374 3042 1 11 . 1 1 28 28 THR CB C 28 69.846 69.846 69.373 0.474 18374 3043 1 11 . 1 1 28 28 THR H H 28 8.956 8.956 9.050 -0.094 18374 3044 1 11 . 1 1 29 29 HIS N N 29 123.908 123.908 119.302 4.606 18374 3045 1 11 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.627 0.282 18374 3046 1 11 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.600 1.504 18374 3047 1 11 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.064 -0.519 18374 3048 1 11 . 1 1 29 29 HIS H H 29 9.464 9.464 8.364 1.100 18374 3049 1 11 . 1 1 30 30 CYS N N 30 119.946 119.946 114.981 4.965 18374 3050 1 11 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.888 -0.077 18374 3051 1 11 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.089 3.001 18374 3052 1 11 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.266 1.632 18374 3053 1 11 . 1 1 30 30 CYS H H 30 8.710 8.710 7.847 0.863 18374 3054 1 11 . 1 1 31 31 ALA N N 31 120.477 120.477 124.320 -3.843 18374 3055 1 11 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.604 -0.320 18374 3056 1 11 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.758 2.732 18374 3057 1 11 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.248 -1.830 18374 3058 1 11 . 1 1 31 31 ALA H H 31 7.626 7.626 8.508 -0.882 18374 3059 1 11 . 1 1 32 32 ALA N N 32 125.524 125.524 125.012 0.512 18374 3060 1 11 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.506 -0.260 18374 3061 1 11 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.496 1.344 18374 3062 1 11 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.947 -1.613 18374 3063 1 11 . 1 1 32 32 ALA H H 32 9.152 9.152 8.360 0.792 18374 3064 1 11 . 1 1 33 33 ALA N N 33 123.257 123.257 124.888 -1.631 18374 3065 1 11 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.620 -0.210 18374 3066 1 11 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.287 -0.481 18374 3067 1 11 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.281 -0.653 18374 3068 1 11 . 1 1 33 33 ALA H H 33 8.490 8.490 8.684 -0.194 18374 3069 1 11 . 1 1 34 34 PHE N N 34 118.220 118.220 120.387 -2.167 18374 3070 1 11 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.789 0.285 18374 3071 1 11 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.269 -0.506 18374 3072 1 11 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.890 -1.668 18374 3073 1 11 . 1 1 34 34 PHE H H 34 8.948 8.948 8.687 0.261 18374 3074 1 11 . 1 1 35 35 HIS N N 35 116.759 116.759 120.832 -4.073 18374 3075 1 11 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.904 -0.018 18374 3076 1 11 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.778 1.360 18374 3077 1 11 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.700 0.323 18374 3078 1 11 . 1 1 35 35 HIS H H 35 7.932 7.932 8.115 -0.183 18374 3079 1 11 . 1 1 36 36 TRP N N 36 127.649 127.649 126.942 0.707 18374 3080 1 11 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.622 -0.184 18374 3081 1 11 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.220 0.153 18374 3082 1 11 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.888 -0.564 18374 3083 1 11 . 1 1 36 36 TRP H H 36 9.421 9.421 9.083 0.338 18374 3084 1 11 . 1 1 37 37 ARG N N 37 113.040 113.040 114.558 -1.518 18374 3085 1 11 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.307 0.097 18374 3086 1 11 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.419 -0.945 18374 3087 1 11 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.752 -0.585 18374 3088 1 11 . 1 1 37 37 ARG H H 37 9.075 9.075 8.478 0.597 18374 3089 1 11 . 1 1 38 38 CYS N N 38 116.493 116.493 115.527 0.966 18374 3090 1 11 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.605 -0.387 18374 3091 1 11 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.929 2.530 18374 3092 1 11 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.505 2.171 18374 3093 1 11 . 1 1 38 38 CYS H H 38 7.169 7.169 7.884 -0.715 18374 3094 1 11 . 1 1 39 39 HIS N N 39 118.220 118.220 115.075 3.145 18374 3095 1 11 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.437 -0.214 18374 3096 1 11 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.025 1.451 18374 3097 1 11 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.484 3.856 18374 3098 1 11 . 1 1 39 39 HIS H H 39 7.562 7.562 7.863 -0.301 18374 3099 1 11 . 1 1 40 40 PHE N N 40 117.157 117.157 117.987 -0.830 18374 3100 1 11 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.739 0.044 18374 3101 1 11 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.768 -2.109 18374 3102 1 11 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.394 -1.587 18374 3103 1 11 . 1 1 40 40 PHE H H 40 8.282 8.282 8.068 0.214 18374 3104 1 11 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.391 0.096 18374 3105 1 11 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.117 0.102 18374 3106 1 11 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.147 0.068 18374 3107 1 11 . 1 1 42 42 ALA N N 42 123.001 123.001 125.730 -2.729 18374 3108 1 11 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.118 0.240 18374 3109 1 11 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.285 -1.272 18374 3110 1 11 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.684 -0.043 18374 3111 1 11 . 1 1 42 42 ALA H H 42 8.635 8.635 8.576 0.059 18374 3112 1 11 . 1 1 43 43 GLY N N 43 108.291 108.291 104.535 3.756 18374 3113 1 11 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.967 0.499 18374 3114 1 11 . 1 1 43 43 GLY H H 43 8.529 8.529 8.179 0.350 18374 3115 1 11 . 1 1 44 44 THR N N 44 113.961 113.961 118.779 -4.818 18374 3116 1 11 . 1 1 44 44 THR HA H 44 4.424 4.424 4.387 0.037 18374 3117 1 11 . 1 1 44 44 THR CA C 44 62.074 62.074 63.588 -1.514 18374 3118 1 11 . 1 1 44 44 THR CB C 44 70.259 70.259 69.447 0.812 18374 3119 1 11 . 1 1 44 44 THR H H 44 7.971 7.971 7.794 0.177 18374 3120 1 11 . 1 1 45 45 SER N N 45 120.467 120.467 120.728 -0.261 18374 3121 1 11 . 1 1 45 45 SER HA H 45 4.280 4.280 4.533 -0.253 18374 3122 1 11 . 1 1 45 45 SER CA C 45 58.274 58.274 57.313 0.961 18374 3123 1 11 . 1 1 45 45 SER CB C 45 63.906 63.906 64.087 -0.181 18374 3124 1 11 . 1 1 45 45 SER H H 45 8.644 8.644 8.607 0.037 18374 3125 1 11 . 1 1 46 46 ARG N N 46 124.196 124.196 126.977 -2.781 18374 3126 1 11 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.363 0.557 18374 3127 1 11 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.373 -0.221 18374 3128 1 11 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.002 -0.100 18374 3129 1 11 . 1 1 46 46 ARG H H 46 8.197 8.197 8.218 -0.021 18374 3130 1 11 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.472 -0.174 18374 3131 1 11 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.267 0.552 18374 3132 1 11 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.437 -0.251 18374 3133 1 11 . 1 1 48 48 GLY N N 48 108.071 108.071 109.542 -1.471 18374 3134 1 11 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.643 0.036 18374 3135 1 11 . 1 1 48 48 GLY H H 48 8.492 8.492 8.408 0.084 18374 3136 1 11 . 1 1 49 49 THR N N 49 111.151 111.151 110.290 0.861 18374 3137 1 11 . 1 1 49 49 THR HA H 49 4.377 4.377 4.379 -0.002 18374 3138 1 11 . 1 1 49 49 THR CA C 49 60.690 60.690 61.057 -0.367 18374 3139 1 11 . 1 1 49 49 THR CB C 49 70.332 70.332 70.209 0.123 18374 3140 1 11 . 1 1 49 49 THR H H 49 7.669 7.669 7.325 0.344 18374 3141 1 11 . 1 1 50 50 GLY N N 50 110.491 110.491 111.418 -0.927 18374 3142 1 11 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.783 1.398 18374 3143 1 11 . 1 1 50 50 GLY H H 50 8.459 8.459 8.461 -0.002 18374 3144 1 11 . 1 1 51 51 LEU N N 51 121.407 121.407 120.392 1.015 18374 3145 1 11 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.206 0.076 18374 3146 1 11 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.225 1.143 18374 3147 1 11 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.180 0.639 18374 3148 1 11 . 1 1 51 51 LEU H H 51 8.248 8.248 7.920 0.328 18374 3149 1 11 . 1 1 52 52 ARG N N 52 124.997 124.997 125.805 -0.808 18374 3150 1 11 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.695 1.152 18374 3151 1 11 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.944 -0.813 18374 3152 1 11 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.114 1.871 18374 3153 1 11 . 1 1 52 52 ARG H H 52 8.639 8.639 8.486 0.153 18374 3154 1 11 . 1 1 53 53 CYS N N 53 120.743 120.743 120.951 -0.208 18374 3155 1 11 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.802 -1.309 18374 3156 1 11 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.526 0.678 18374 3157 1 11 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.963 -0.184 18374 3158 1 11 . 1 1 53 53 CYS H H 53 8.933 8.933 8.370 0.563 18374 3159 1 11 . 1 1 54 54 ARG N N 54 121.407 121.407 121.865 -0.458 18374 3160 1 11 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.916 -0.106 18374 3161 1 11 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.220 0.167 18374 3162 1 11 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.307 -0.424 18374 3163 1 11 . 1 1 54 54 ARG H H 54 10.380 10.380 8.497 1.883 18374 3164 1 11 . 1 1 55 55 SER N N 55 117.300 117.300 115.356 1.944 18374 3165 1 11 . 1 1 55 55 SER HA H 55 4.258 4.258 4.283 -0.025 18374 3166 1 11 . 1 1 55 55 SER CA C 55 61.216 61.216 61.143 0.073 18374 3167 1 11 . 1 1 55 55 SER CB C 55 62.830 62.830 63.125 -0.295 18374 3168 1 11 . 1 1 55 55 SER H H 55 8.228 8.228 7.934 0.294 18374 3169 1 11 . 1 1 56 56 CYS N N 56 122.602 122.602 119.691 2.911 18374 3170 1 11 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.480 -0.294 18374 3171 1 11 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.836 0.406 18374 3172 1 11 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.715 3.201 18374 3173 1 11 . 1 1 56 56 CYS H H 56 7.999 7.999 7.707 0.292 18374 3174 1 11 . 1 1 57 57 SER N N 57 115.430 115.430 113.623 1.807 18374 3175 1 11 . 1 1 57 57 SER HA H 57 4.266 4.266 4.507 -0.241 18374 3176 1 11 . 1 1 57 57 SER CA C 57 59.992 59.992 59.191 0.801 18374 3177 1 11 . 1 1 57 57 SER CB C 57 63.492 63.492 63.175 0.317 18374 3178 1 11 . 1 1 57 57 SER H H 57 7.938 7.938 7.729 0.209 18374 3179 1 11 . 1 1 58 58 GLY N N 58 109.391 109.391 110.228 -0.837 18374 3180 1 11 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.862 0.564 18374 3181 1 11 . 1 1 58 58 GLY H H 58 8.013 8.013 7.617 0.396 18374 3182 1 11 . 1 1 59 59 ASP N N 59 120.345 120.345 123.854 -3.509 18374 3183 1 11 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.882 -0.291 18374 3184 1 11 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.386 0.906 18374 3185 1 11 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.215 -0.132 18374 3186 1 11 . 1 1 59 59 ASP H H 59 8.130 8.130 8.446 -0.316 18374 3187 1 11 . 1 1 60 60 VAL N N 60 119.548 119.548 125.206 -5.658 18374 3188 1 11 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.160 -0.002 18374 3189 1 11 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.219 0.696 18374 3190 1 11 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.461 2.054 18374 3191 1 11 . 1 1 60 60 VAL H H 60 8.072 8.072 8.230 -0.158 18374 3192 1 11 . 1 1 61 61 THR N N 61 121.407 121.407 121.601 -0.194 18374 3193 1 11 . 1 1 61 61 THR HA H 61 4.509 4.509 4.715 -0.206 18374 3194 1 11 . 1 1 61 61 THR CA C 61 59.848 59.848 58.864 0.984 18374 3195 1 11 . 1 1 61 61 THR CB C 61 69.602 69.602 69.046 0.556 18374 3196 1 11 . 1 1 61 61 THR H H 61 8.335 8.335 7.655 0.680 18374 3197 1 11 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.350 0.012 18374 3198 1 11 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.749 0.154 18374 3199 1 11 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.187 -0.238 18374 3200 1 11 . 1 1 63 63 ALA N N 63 125.923 125.923 127.464 -1.541 18374 3201 1 11 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.315 0.223 18374 3202 1 11 . 1 1 63 63 ALA CA C 63 50.268 50.268 51.019 -0.751 18374 3203 1 11 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.034 -1.334 18374 3204 1 11 . 1 1 63 63 ALA H H 63 8.368 8.368 8.298 0.070 18374 3205 1 11 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.446 -0.036 18374 3206 1 11 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.895 0.002 18374 3207 1 11 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.317 1.607 18374 3208 1 11 . 1 1 65 65 VAL N N 65 120.526 120.526 119.184 1.342 18374 3209 1 11 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.506 -0.433 18374 3210 1 11 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.095 1.231 18374 3211 1 11 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.761 -1.681 18374 3212 1 11 . 1 1 65 65 VAL H H 65 8.270 8.270 7.830 0.440 18374 3213 1 12 . 1 1 2 2 ALA N N 2 123.688 123.688 126.932 -3.244 18374 3214 1 12 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.264 0.034 18374 3215 1 12 . 1 1 2 2 ALA CA C 2 52.710 52.710 54.049 -1.339 18374 3216 1 12 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.193 0.042 18374 3217 1 12 . 1 1 2 2 ALA H H 2 8.653 8.653 8.615 0.038 18374 3218 1 12 . 1 1 3 3 MET N N 3 119.289 119.289 116.974 2.315 18374 3219 1 12 . 1 1 3 3 MET HA H 3 4.426 4.426 4.326 0.100 18374 3220 1 12 . 1 1 3 3 MET CA C 3 55.430 55.430 56.676 -1.246 18374 3221 1 12 . 1 1 3 3 MET CB C 3 32.532 32.532 31.823 0.709 18374 3222 1 12 . 1 1 3 3 MET H H 3 8.545 8.545 8.135 0.410 18374 3223 1 12 . 1 1 4 4 GLU N N 4 122.149 122.149 117.690 4.459 18374 3224 1 12 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.318 -0.074 18374 3225 1 12 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.166 0.865 18374 3226 1 12 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.154 -0.148 18374 3227 1 12 . 1 1 4 4 GLU H H 4 8.440 8.440 8.177 0.263 18374 3228 1 12 . 1 1 5 5 GLY N N 5 110.051 110.051 108.371 1.680 18374 3229 1 12 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.512 0.896 18374 3230 1 12 . 1 1 5 5 GLY H H 5 8.500 8.500 7.343 1.157 18374 3231 1 12 . 1 1 6 6 GLN N N 6 119.509 119.509 119.730 -0.221 18374 3232 1 12 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.212 0.074 18374 3233 1 12 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.894 -0.894 18374 3234 1 12 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.613 -0.405 18374 3235 1 12 . 1 1 6 6 GLN H H 6 8.242 8.242 8.495 -0.253 18374 3236 1 12 . 1 1 7 7 GLN N N 7 121.049 121.049 117.546 3.503 18374 3237 1 12 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.482 -0.222 18374 3238 1 12 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.733 0.370 18374 3239 1 12 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.377 -0.173 18374 3240 1 12 . 1 1 7 7 GLN H H 7 8.534 8.534 7.970 0.564 18374 3241 1 12 . 1 1 8 8 ASN N N 8 119.289 119.289 121.725 -2.436 18374 3242 1 12 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.772 -0.127 18374 3243 1 12 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.840 -0.733 18374 3244 1 12 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.304 -0.785 18374 3245 1 12 . 1 1 8 8 ASN H H 8 8.486 8.486 8.346 0.140 18374 3246 1 12 . 1 1 9 9 LEU N N 9 122.204 122.204 122.157 0.047 18374 3247 1 12 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.594 -0.303 18374 3248 1 12 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.846 0.870 18374 3249 1 12 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.441 -0.043 18374 3250 1 12 . 1 1 9 9 LEU H H 9 8.145 8.145 7.743 0.402 18374 3251 1 12 . 1 1 10 10 ALA N N 10 126.188 126.188 130.266 -4.078 18374 3252 1 12 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.451 0.081 18374 3253 1 12 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.516 -0.179 18374 3254 1 12 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.585 -0.793 18374 3255 1 12 . 1 1 10 10 ALA H H 10 8.324 8.324 8.441 -0.117 18374 3256 1 12 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.338 0.026 18374 3257 1 12 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.093 0.815 18374 3258 1 12 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.913 1.956 18374 3259 1 12 . 1 1 12 12 GLY N N 12 108.951 108.951 109.780 -0.829 18374 3260 1 12 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.283 -0.062 18374 3261 1 12 . 1 1 12 12 GLY H H 12 8.501 8.501 8.451 0.050 18374 3262 1 12 . 1 1 13 13 ALA N N 13 123.134 123.134 124.640 -1.506 18374 3263 1 12 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.409 -0.175 18374 3264 1 12 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.586 0.523 18374 3265 1 12 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.852 1.673 18374 3266 1 12 . 1 1 13 13 ALA H H 13 7.957 7.957 8.123 -0.166 18374 3267 1 12 . 1 1 14 14 ARG N N 14 116.759 116.759 121.280 -4.521 18374 3268 1 12 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.413 -0.294 18374 3269 1 12 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.912 -2.102 18374 3270 1 12 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.103 -1.651 18374 3271 1 12 . 1 1 14 14 ARG H H 14 7.990 7.990 7.688 0.302 18374 3272 1 12 . 1 1 15 15 CYS N N 15 123.688 123.688 126.133 -2.445 18374 3273 1 12 . 1 1 15 15 CYS HA H 15 4.017 4.017 5.102 -1.085 18374 3274 1 12 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.704 1.406 18374 3275 1 12 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.041 4.016 18374 3276 1 12 . 1 1 15 15 CYS H H 15 7.646 7.646 8.475 -0.829 18374 3277 1 12 . 1 1 16 16 GLY N N 16 117.749 117.749 116.099 1.650 18374 3278 1 12 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.616 0.169 18374 3279 1 12 . 1 1 16 16 GLY H H 16 8.916 8.916 9.072 -0.156 18374 3280 1 12 . 1 1 17 17 VAL N N 17 122.602 122.602 119.590 3.012 18374 3281 1 12 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.922 0.091 18374 3282 1 12 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.315 0.716 18374 3283 1 12 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.157 0.683 18374 3284 1 12 . 1 1 17 17 VAL H H 17 8.856 8.856 7.952 0.904 18374 3285 1 12 . 1 1 18 18 CYS N N 18 115.430 115.430 112.511 2.919 18374 3286 1 12 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.834 0.092 18374 3287 1 12 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.786 -0.607 18374 3288 1 12 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.877 0.734 18374 3289 1 12 . 1 1 18 18 CYS H H 18 7.758 7.758 7.864 -0.106 18374 3290 1 12 . 1 1 19 19 GLY N N 19 113.040 113.040 110.884 2.156 18374 3291 1 12 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.884 1.473 18374 3292 1 12 . 1 1 19 19 GLY H H 19 8.029 8.029 8.719 -0.690 18374 3293 1 12 . 1 1 20 20 ASP N N 20 123.399 123.399 121.746 1.653 18374 3294 1 12 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.877 0.130 18374 3295 1 12 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.256 -0.742 18374 3296 1 12 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.977 1.565 18374 3297 1 12 . 1 1 20 20 ASP H H 20 8.722 8.722 7.752 0.970 18374 3298 1 12 . 1 1 21 21 GLY N N 21 111.371 111.371 108.097 3.274 18374 3299 1 12 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.935 0.172 18374 3300 1 12 . 1 1 21 21 GLY H H 21 8.667 8.667 8.638 0.029 18374 3301 1 12 . 1 1 22 22 THR N N 22 118.220 118.220 116.673 1.547 18374 3302 1 12 . 1 1 22 22 THR HA H 22 3.979 3.979 4.143 -0.164 18374 3303 1 12 . 1 1 22 22 THR CA C 22 64.367 64.367 64.110 0.257 18374 3304 1 12 . 1 1 22 22 THR CB C 22 67.783 67.783 68.898 -1.115 18374 3305 1 12 . 1 1 22 22 THR H H 22 8.784 8.784 7.605 1.179 18374 3306 1 12 . 1 1 23 23 ASP N N 23 127.251 127.251 125.146 2.105 18374 3307 1 12 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.249 0.052 18374 3308 1 12 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.078 0.349 18374 3309 1 12 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.375 -1.336 18374 3310 1 12 . 1 1 23 23 ASP H H 23 9.376 9.376 8.841 0.535 18374 3311 1 12 . 1 1 24 24 VAL N N 24 111.371 111.371 117.255 -5.884 18374 3312 1 12 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.375 -0.815 18374 3313 1 12 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.277 0.439 18374 3314 1 12 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.257 -0.965 18374 3315 1 12 . 1 1 24 24 VAL H H 24 7.402 7.402 7.662 -0.260 18374 3316 1 12 . 1 1 25 25 LEU N N 25 123.908 123.908 128.347 -4.439 18374 3317 1 12 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.564 -0.225 18374 3318 1 12 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.634 -1.112 18374 3319 1 12 . 1 1 25 25 LEU CB C 25 42.442 42.442 44.059 -1.617 18374 3320 1 12 . 1 1 25 25 LEU H H 25 8.328 8.328 8.544 -0.216 18374 3321 1 12 . 1 1 26 26 ARG N N 26 116.626 116.626 119.537 -2.911 18374 3322 1 12 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.471 -0.370 18374 3323 1 12 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.421 -1.766 18374 3324 1 12 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.439 -0.771 18374 3325 1 12 . 1 1 26 26 ARG H H 26 7.877 7.877 8.283 -0.406 18374 3326 1 12 . 1 1 27 27 CYS N N 27 126.328 126.328 126.426 -0.098 18374 3327 1 12 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.864 -0.549 18374 3328 1 12 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.698 1.700 18374 3329 1 12 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.830 1.837 18374 3330 1 12 . 1 1 27 27 CYS H H 27 9.182 9.182 8.546 0.636 18374 3331 1 12 . 1 1 28 28 THR N N 28 122.470 122.470 120.818 1.652 18374 3332 1 12 . 1 1 28 28 THR HA H 28 4.166 4.166 4.293 -0.127 18374 3333 1 12 . 1 1 28 28 THR CA C 28 64.686 64.686 63.772 0.914 18374 3334 1 12 . 1 1 28 28 THR CB C 28 69.846 69.846 69.047 0.799 18374 3335 1 12 . 1 1 28 28 THR H H 28 8.956 8.956 8.828 0.128 18374 3336 1 12 . 1 1 29 29 HIS N N 29 123.908 123.908 118.548 5.360 18374 3337 1 12 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.651 0.258 18374 3338 1 12 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.349 1.755 18374 3339 1 12 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.502 -0.957 18374 3340 1 12 . 1 1 29 29 HIS H H 29 9.464 9.464 7.793 1.671 18374 3341 1 12 . 1 1 30 30 CYS N N 30 119.946 119.946 117.053 2.893 18374 3342 1 12 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.707 0.104 18374 3343 1 12 . 1 1 30 30 CYS CA C 30 59.090 59.090 57.538 1.552 18374 3344 1 12 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.922 1.976 18374 3345 1 12 . 1 1 30 30 CYS H H 30 8.710 8.710 7.812 0.898 18374 3346 1 12 . 1 1 31 31 ALA N N 31 120.477 120.477 124.581 -4.104 18374 3347 1 12 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.463 -0.179 18374 3348 1 12 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.771 2.719 18374 3349 1 12 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.942 -1.524 18374 3350 1 12 . 1 1 31 31 ALA H H 31 7.626 7.626 8.433 -0.807 18374 3351 1 12 . 1 1 32 32 ALA N N 32 125.524 125.524 126.000 -0.476 18374 3352 1 12 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.473 -0.227 18374 3353 1 12 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.666 1.174 18374 3354 1 12 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.731 -1.397 18374 3355 1 12 . 1 1 32 32 ALA H H 32 9.152 9.152 8.244 0.908 18374 3356 1 12 . 1 1 33 33 ALA N N 33 123.257 123.257 128.570 -5.313 18374 3357 1 12 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.755 -0.345 18374 3358 1 12 . 1 1 33 33 ALA CA C 33 49.806 49.806 49.959 -0.153 18374 3359 1 12 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.073 -0.445 18374 3360 1 12 . 1 1 33 33 ALA H H 33 8.490 8.490 8.833 -0.343 18374 3361 1 12 . 1 1 34 34 PHE N N 34 118.220 118.220 120.568 -2.348 18374 3362 1 12 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.892 0.182 18374 3363 1 12 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.081 -0.320 18374 3364 1 12 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.251 -2.029 18374 3365 1 12 . 1 1 34 34 PHE H H 34 8.948 8.948 8.646 0.302 18374 3366 1 12 . 1 1 35 35 HIS N N 35 116.759 116.759 120.453 -3.694 18374 3367 1 12 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.887 -0.001 18374 3368 1 12 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.626 1.512 18374 3369 1 12 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.953 0.070 18374 3370 1 12 . 1 1 35 35 HIS H H 35 7.932 7.932 8.124 -0.192 18374 3371 1 12 . 1 1 36 36 TRP N N 36 127.649 127.649 127.154 0.495 18374 3372 1 12 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.635 -0.197 18374 3373 1 12 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.981 0.392 18374 3374 1 12 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.967 -0.643 18374 3375 1 12 . 1 1 36 36 TRP H H 36 9.421 9.421 9.131 0.290 18374 3376 1 12 . 1 1 37 37 ARG N N 37 113.040 113.040 117.678 -4.638 18374 3377 1 12 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.150 0.254 18374 3378 1 12 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.267 -1.794 18374 3379 1 12 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.633 -0.466 18374 3380 1 12 . 1 1 37 37 ARG H H 37 9.075 9.075 8.533 0.542 18374 3381 1 12 . 1 1 38 38 CYS N N 38 116.493 116.493 114.552 1.941 18374 3382 1 12 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.450 -0.232 18374 3383 1 12 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.740 1.719 18374 3384 1 12 . 1 1 38 38 CYS CB C 38 29.676 29.676 25.779 3.897 18374 3385 1 12 . 1 1 38 38 CYS H H 38 7.169 7.169 8.403 -1.234 18374 3386 1 12 . 1 1 39 39 HIS N N 39 118.220 118.220 117.936 0.284 18374 3387 1 12 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.280 -0.057 18374 3388 1 12 . 1 1 39 39 HIS CA C 39 58.476 58.476 58.161 0.315 18374 3389 1 12 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.411 3.929 18374 3390 1 12 . 1 1 39 39 HIS H H 39 7.562 7.562 7.619 -0.057 18374 3391 1 12 . 1 1 40 40 PHE N N 40 117.157 117.157 117.079 0.078 18374 3392 1 12 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.832 -0.049 18374 3393 1 12 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.616 -2.957 18374 3394 1 12 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.982 -0.175 18374 3395 1 12 . 1 1 40 40 PHE H H 40 8.282 8.282 8.155 0.127 18374 3396 1 12 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.556 -0.069 18374 3397 1 12 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.485 -0.266 18374 3398 1 12 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.759 0.456 18374 3399 1 12 . 1 1 42 42 ALA N N 42 123.001 123.001 119.965 3.036 18374 3400 1 12 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.321 0.037 18374 3401 1 12 . 1 1 42 42 ALA CA C 42 53.013 53.013 52.386 0.627 18374 3402 1 12 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.869 -0.228 18374 3403 1 12 . 1 1 42 42 ALA H H 42 8.635 8.635 8.003 0.632 18374 3404 1 12 . 1 1 43 43 GLY N N 43 108.291 108.291 106.684 1.607 18374 3405 1 12 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.798 0.668 18374 3406 1 12 . 1 1 43 43 GLY H H 43 8.529 8.529 7.845 0.684 18374 3407 1 12 . 1 1 44 44 THR N N 44 113.961 113.961 118.074 -4.113 18374 3408 1 12 . 1 1 44 44 THR HA H 44 4.424 4.424 4.309 0.115 18374 3409 1 12 . 1 1 44 44 THR CA C 44 62.074 62.074 63.732 -1.658 18374 3410 1 12 . 1 1 44 44 THR CB C 44 70.259 70.259 69.365 0.894 18374 3411 1 12 . 1 1 44 44 THR H H 44 7.971 7.971 7.907 0.064 18374 3412 1 12 . 1 1 45 45 SER N N 45 120.467 120.467 121.692 -1.225 18374 3413 1 12 . 1 1 45 45 SER HA H 45 4.280 4.280 4.786 -0.506 18374 3414 1 12 . 1 1 45 45 SER CA C 45 58.274 58.274 58.271 0.003 18374 3415 1 12 . 1 1 45 45 SER CB C 45 63.906 63.906 64.037 -0.131 18374 3416 1 12 . 1 1 45 45 SER H H 45 8.644 8.644 8.586 0.058 18374 3417 1 12 . 1 1 46 46 ARG N N 46 124.196 124.196 125.660 -1.464 18374 3418 1 12 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.201 0.719 18374 3419 1 12 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.530 -0.378 18374 3420 1 12 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.315 1.587 18374 3421 1 12 . 1 1 46 46 ARG H H 46 8.197 8.197 8.196 0.001 18374 3422 1 12 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.339 -0.041 18374 3423 1 12 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.322 0.496 18374 3424 1 12 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.429 -0.243 18374 3425 1 12 . 1 1 48 48 GLY N N 48 108.071 108.071 107.616 0.455 18374 3426 1 12 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.484 0.195 18374 3427 1 12 . 1 1 48 48 GLY H H 48 8.492 8.492 8.521 -0.029 18374 3428 1 12 . 1 1 49 49 THR N N 49 111.151 111.151 115.506 -4.355 18374 3429 1 12 . 1 1 49 49 THR HA H 49 4.377 4.377 4.319 0.058 18374 3430 1 12 . 1 1 49 49 THR CA C 49 60.690 60.690 60.863 -0.173 18374 3431 1 12 . 1 1 49 49 THR CB C 49 70.332 70.332 66.673 3.659 18374 3432 1 12 . 1 1 49 49 THR H H 49 7.669 7.669 7.761 -0.092 18374 3433 1 12 . 1 1 50 50 GLY N N 50 110.491 110.491 109.355 1.136 18374 3434 1 12 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.541 1.639 18374 3435 1 12 . 1 1 50 50 GLY H H 50 8.459 8.459 7.520 0.939 18374 3436 1 12 . 1 1 51 51 LEU N N 51 121.407 121.407 123.560 -2.153 18374 3437 1 12 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.163 0.119 18374 3438 1 12 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.250 1.118 18374 3439 1 12 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.448 0.371 18374 3440 1 12 . 1 1 51 51 LEU H H 51 8.248 8.248 8.376 -0.128 18374 3441 1 12 . 1 1 52 52 ARG N N 52 124.997 124.997 125.314 -0.317 18374 3442 1 12 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.656 1.191 18374 3443 1 12 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.700 -0.569 18374 3444 1 12 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.898 2.087 18374 3445 1 12 . 1 1 52 52 ARG H H 52 8.639 8.639 8.119 0.520 18374 3446 1 12 . 1 1 53 53 CYS N N 53 120.743 120.743 122.082 -1.339 18374 3447 1 12 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.600 -1.107 18374 3448 1 12 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.939 0.265 18374 3449 1 12 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.148 1.631 18374 3450 1 12 . 1 1 53 53 CYS H H 53 8.933 8.933 8.587 0.346 18374 3451 1 12 . 1 1 54 54 ARG N N 54 121.407 121.407 120.608 0.799 18374 3452 1 12 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.128 -0.318 18374 3453 1 12 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.263 -0.876 18374 3454 1 12 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.224 -1.341 18374 3455 1 12 . 1 1 54 54 ARG H H 54 10.380 10.380 8.653 1.727 18374 3456 1 12 . 1 1 55 55 SER N N 55 117.300 117.300 113.854 3.446 18374 3457 1 12 . 1 1 55 55 SER HA H 55 4.258 4.258 4.291 -0.033 18374 3458 1 12 . 1 1 55 55 SER CA C 55 61.216 61.216 61.447 -0.231 18374 3459 1 12 . 1 1 55 55 SER CB C 55 62.830 62.830 62.913 -0.082 18374 3460 1 12 . 1 1 55 55 SER H H 55 8.228 8.228 8.298 -0.070 18374 3461 1 12 . 1 1 56 56 CYS N N 56 122.602 122.602 119.791 2.811 18374 3462 1 12 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.460 -0.274 18374 3463 1 12 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.307 -0.065 18374 3464 1 12 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.604 3.312 18374 3465 1 12 . 1 1 56 56 CYS H H 56 7.999 7.999 7.757 0.242 18374 3466 1 12 . 1 1 57 57 SER N N 57 115.430 115.430 113.505 1.925 18374 3467 1 12 . 1 1 57 57 SER HA H 57 4.266 4.266 4.448 -0.182 18374 3468 1 12 . 1 1 57 57 SER CA C 57 59.992 59.992 60.225 -0.233 18374 3469 1 12 . 1 1 57 57 SER CB C 57 63.492 63.492 63.770 -0.278 18374 3470 1 12 . 1 1 57 57 SER H H 57 7.938 7.938 8.320 -0.382 18374 3471 1 12 . 1 1 58 58 GLY N N 58 109.391 109.391 110.766 -1.375 18374 3472 1 12 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.608 -0.182 18374 3473 1 12 . 1 1 58 58 GLY H H 58 8.013 8.013 7.866 0.147 18374 3474 1 12 . 1 1 59 59 ASP N N 59 120.345 120.345 122.568 -2.223 18374 3475 1 12 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.795 -0.204 18374 3476 1 12 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.516 0.776 18374 3477 1 12 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.699 -0.616 18374 3478 1 12 . 1 1 59 59 ASP H H 59 8.130 8.130 8.455 -0.325 18374 3479 1 12 . 1 1 60 60 VAL N N 60 119.548 119.548 126.706 -7.158 18374 3480 1 12 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.367 -0.209 18374 3481 1 12 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.204 0.711 18374 3482 1 12 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.715 1.800 18374 3483 1 12 . 1 1 60 60 VAL H H 60 8.072 8.072 8.499 -0.427 18374 3484 1 12 . 1 1 61 61 THR N N 61 121.407 121.407 122.217 -0.810 18374 3485 1 12 . 1 1 61 61 THR HA H 61 4.509 4.509 4.599 -0.090 18374 3486 1 12 . 1 1 61 61 THR CA C 61 59.848 59.848 61.107 -1.259 18374 3487 1 12 . 1 1 61 61 THR CB C 61 69.602 69.602 69.290 0.312 18374 3488 1 12 . 1 1 61 61 THR H H 61 8.335 8.335 7.898 0.437 18374 3489 1 12 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.449 -0.087 18374 3490 1 12 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.070 -0.167 18374 3491 1 12 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.451 -0.502 18374 3492 1 12 . 1 1 63 63 ALA N N 63 125.923 125.923 127.171 -1.248 18374 3493 1 12 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.512 0.026 18374 3494 1 12 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.370 -0.102 18374 3495 1 12 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.076 -1.376 18374 3496 1 12 . 1 1 63 63 ALA H H 63 8.368 8.368 8.291 0.077 18374 3497 1 12 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.459 -0.049 18374 3498 1 12 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.129 -0.232 18374 3499 1 12 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.143 1.781 18374 3500 1 12 . 1 1 65 65 VAL N N 65 120.526 120.526 120.291 0.235 18374 3501 1 12 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.217 -0.144 18374 3502 1 12 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.323 1.003 18374 3503 1 12 . 1 1 65 65 VAL CB C 65 32.080 32.080 35.005 -2.925 18374 3504 1 12 . 1 1 65 65 VAL H H 65 8.270 8.270 7.673 0.597 18374 3505 1 13 . 1 1 2 2 ALA N N 2 123.688 123.688 124.281 -0.593 18374 3506 1 13 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.601 -0.303 18374 3507 1 13 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.094 0.616 18374 3508 1 13 . 1 1 2 2 ALA CB C 2 19.235 19.235 17.943 1.292 18374 3509 1 13 . 1 1 2 2 ALA H H 2 8.653 8.653 8.359 0.294 18374 3510 1 13 . 1 1 3 3 MET N N 3 119.289 119.289 115.646 3.643 18374 3511 1 13 . 1 1 3 3 MET HA H 3 4.426 4.426 4.744 -0.318 18374 3512 1 13 . 1 1 3 3 MET CA C 3 55.430 55.430 55.282 0.148 18374 3513 1 13 . 1 1 3 3 MET CB C 3 32.532 32.532 33.789 -1.258 18374 3514 1 13 . 1 1 3 3 MET H H 3 8.545 8.545 7.678 0.867 18374 3515 1 13 . 1 1 4 4 GLU N N 4 122.149 122.149 122.094 0.055 18374 3516 1 13 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.369 -0.125 18374 3517 1 13 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.620 1.411 18374 3518 1 13 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.513 2.493 18374 3519 1 13 . 1 1 4 4 GLU H H 4 8.440 8.440 8.726 -0.286 18374 3520 1 13 . 1 1 5 5 GLY N N 5 110.051 110.051 108.959 1.092 18374 3521 1 13 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.666 0.742 18374 3522 1 13 . 1 1 5 5 GLY H H 5 8.500 8.500 7.804 0.696 18374 3523 1 13 . 1 1 6 6 GLN N N 6 119.509 119.509 122.351 -2.842 18374 3524 1 13 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.576 -0.290 18374 3525 1 13 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.457 0.543 18374 3526 1 13 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.728 0.480 18374 3527 1 13 . 1 1 6 6 GLN H H 6 8.242 8.242 8.400 -0.158 18374 3528 1 13 . 1 1 7 7 GLN N N 7 121.049 121.049 119.480 1.569 18374 3529 1 13 . 1 1 7 7 GLN HA H 7 4.261 4.261 3.911 0.350 18374 3530 1 13 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.519 -0.415 18374 3531 1 13 . 1 1 7 7 GLN CB C 7 29.204 29.204 25.776 3.428 18374 3532 1 13 . 1 1 7 7 GLN H H 7 8.534 8.534 8.747 -0.213 18374 3533 1 13 . 1 1 8 8 ASN N N 8 119.289 119.289 116.426 2.863 18374 3534 1 13 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.337 0.308 18374 3535 1 13 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.598 -0.491 18374 3536 1 13 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.664 -0.145 18374 3537 1 13 . 1 1 8 8 ASN H H 8 8.486 8.486 8.496 -0.010 18374 3538 1 13 . 1 1 9 9 LEU N N 9 122.204 122.204 117.014 5.190 18374 3539 1 13 . 1 1 9 9 LEU HA H 9 4.291 4.291 3.939 0.352 18374 3540 1 13 . 1 1 9 9 LEU CA C 9 54.716 54.716 55.364 -0.648 18374 3541 1 13 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.015 1.382 18374 3542 1 13 . 1 1 9 9 LEU H H 9 8.145 8.145 8.042 0.103 18374 3543 1 13 . 1 1 10 10 ALA N N 10 126.188 126.188 125.635 0.553 18374 3544 1 13 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.402 0.130 18374 3545 1 13 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.975 -0.638 18374 3546 1 13 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.022 -1.229 18374 3547 1 13 . 1 1 10 10 ALA H H 10 8.324 8.324 8.136 0.188 18374 3548 1 13 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.414 -0.050 18374 3549 1 13 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.925 0.983 18374 3550 1 13 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.140 1.729 18374 3551 1 13 . 1 1 12 12 GLY N N 12 108.951 108.951 111.576 -2.625 18374 3552 1 13 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.593 -0.372 18374 3553 1 13 . 1 1 12 12 GLY H H 12 8.501 8.501 8.478 0.023 18374 3554 1 13 . 1 1 13 13 ALA N N 13 123.134 123.134 124.454 -1.320 18374 3555 1 13 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.316 -0.082 18374 3556 1 13 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.738 0.371 18374 3557 1 13 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.457 2.068 18374 3558 1 13 . 1 1 13 13 ALA H H 13 7.957 7.957 8.333 -0.376 18374 3559 1 13 . 1 1 14 14 ARG N N 14 116.759 116.759 121.628 -4.869 18374 3560 1 13 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.465 -0.346 18374 3561 1 13 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.376 -1.566 18374 3562 1 13 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.613 -1.160 18374 3563 1 13 . 1 1 14 14 ARG H H 14 7.990 7.990 7.759 0.231 18374 3564 1 13 . 1 1 15 15 CYS N N 15 123.688 123.688 126.912 -3.224 18374 3565 1 13 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.881 -0.864 18374 3566 1 13 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.313 0.797 18374 3567 1 13 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.978 4.079 18374 3568 1 13 . 1 1 15 15 CYS H H 15 7.646 7.646 8.430 -0.784 18374 3569 1 13 . 1 1 16 16 GLY N N 16 117.749 117.749 115.999 1.750 18374 3570 1 13 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.842 -0.056 18374 3571 1 13 . 1 1 16 16 GLY H H 16 8.916 8.916 9.066 -0.150 18374 3572 1 13 . 1 1 17 17 VAL N N 17 122.602 122.602 121.437 1.165 18374 3573 1 13 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.904 0.110 18374 3574 1 13 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.514 0.517 18374 3575 1 13 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.770 1.070 18374 3576 1 13 . 1 1 17 17 VAL H H 17 8.856 8.856 8.067 0.789 18374 3577 1 13 . 1 1 18 18 CYS N N 18 115.430 115.430 113.947 1.483 18374 3578 1 13 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.917 0.009 18374 3579 1 13 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.313 -0.134 18374 3580 1 13 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.287 0.324 18374 3581 1 13 . 1 1 18 18 CYS H H 18 7.758 7.758 8.014 -0.256 18374 3582 1 13 . 1 1 19 19 GLY N N 19 113.040 113.040 111.549 1.491 18374 3583 1 13 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.006 1.351 18374 3584 1 13 . 1 1 19 19 GLY H H 19 8.029 8.029 8.906 -0.877 18374 3585 1 13 . 1 1 20 20 ASP N N 20 123.399 123.399 119.932 3.467 18374 3586 1 13 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.954 0.053 18374 3587 1 13 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.621 0.893 18374 3588 1 13 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.512 1.030 18374 3589 1 13 . 1 1 20 20 ASP H H 20 8.722 8.722 7.744 0.978 18374 3590 1 13 . 1 1 21 21 GLY N N 21 111.371 111.371 108.951 2.420 18374 3591 1 13 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.650 0.457 18374 3592 1 13 . 1 1 21 21 GLY H H 21 8.667 8.667 8.492 0.175 18374 3593 1 13 . 1 1 22 22 THR N N 22 118.220 118.220 118.924 -0.704 18374 3594 1 13 . 1 1 22 22 THR HA H 22 3.979 3.979 4.317 -0.338 18374 3595 1 13 . 1 1 22 22 THR CA C 22 64.367 64.367 63.667 0.700 18374 3596 1 13 . 1 1 22 22 THR CB C 22 67.783 67.783 69.290 -1.507 18374 3597 1 13 . 1 1 22 22 THR H H 22 8.784 8.784 8.840 -0.056 18374 3598 1 13 . 1 1 23 23 ASP N N 23 127.251 127.251 124.449 2.802 18374 3599 1 13 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.326 -0.025 18374 3600 1 13 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.115 0.312 18374 3601 1 13 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.153 -1.114 18374 3602 1 13 . 1 1 23 23 ASP H H 23 9.376 9.376 8.888 0.488 18374 3603 1 13 . 1 1 24 24 VAL N N 24 111.371 111.371 117.319 -5.948 18374 3604 1 13 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.228 -0.668 18374 3605 1 13 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.291 0.425 18374 3606 1 13 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.925 -0.633 18374 3607 1 13 . 1 1 24 24 VAL H H 24 7.402 7.402 8.012 -0.610 18374 3608 1 13 . 1 1 25 25 LEU N N 25 123.908 123.908 128.113 -4.205 18374 3609 1 13 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.388 -0.049 18374 3610 1 13 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.422 -1.900 18374 3611 1 13 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.696 -0.253 18374 3612 1 13 . 1 1 25 25 LEU H H 25 8.328 8.328 8.381 -0.053 18374 3613 1 13 . 1 1 26 26 ARG N N 26 116.626 116.626 119.294 -2.668 18374 3614 1 13 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.337 -0.236 18374 3615 1 13 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.572 -0.917 18374 3616 1 13 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.701 -0.033 18374 3617 1 13 . 1 1 26 26 ARG H H 26 7.877 7.877 7.960 -0.083 18374 3618 1 13 . 1 1 27 27 CYS N N 27 126.328 126.328 124.222 2.106 18374 3619 1 13 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.862 -0.547 18374 3620 1 13 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.110 1.288 18374 3621 1 13 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.928 1.739 18374 3622 1 13 . 1 1 27 27 CYS H H 27 9.182 9.182 8.591 0.591 18374 3623 1 13 . 1 1 28 28 THR N N 28 122.470 122.470 122.556 -0.086 18374 3624 1 13 . 1 1 28 28 THR HA H 28 4.166 4.166 4.399 -0.233 18374 3625 1 13 . 1 1 28 28 THR CA C 28 64.686 64.686 64.229 0.457 18374 3626 1 13 . 1 1 28 28 THR CB C 28 69.846 69.846 69.021 0.825 18374 3627 1 13 . 1 1 28 28 THR H H 28 8.956 8.956 9.118 -0.162 18374 3628 1 13 . 1 1 29 29 HIS N N 29 123.908 123.908 119.300 4.608 18374 3629 1 13 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.731 0.178 18374 3630 1 13 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.542 1.562 18374 3631 1 13 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.014 -0.469 18374 3632 1 13 . 1 1 29 29 HIS H H 29 9.464 9.464 8.705 0.759 18374 3633 1 13 . 1 1 30 30 CYS N N 30 119.946 119.946 115.590 4.356 18374 3634 1 13 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.778 0.033 18374 3635 1 13 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.871 2.219 18374 3636 1 13 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.580 2.318 18374 3637 1 13 . 1 1 30 30 CYS H H 30 8.710 8.710 7.516 1.194 18374 3638 1 13 . 1 1 31 31 ALA N N 31 120.477 120.477 124.755 -4.278 18374 3639 1 13 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.485 -0.201 18374 3640 1 13 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.889 2.601 18374 3641 1 13 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.902 -1.484 18374 3642 1 13 . 1 1 31 31 ALA H H 31 7.626 7.626 8.326 -0.700 18374 3643 1 13 . 1 1 32 32 ALA N N 32 125.524 125.524 126.590 -1.066 18374 3644 1 13 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.517 -0.271 18374 3645 1 13 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.427 1.413 18374 3646 1 13 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.892 -1.558 18374 3647 1 13 . 1 1 32 32 ALA H H 32 9.152 9.152 8.272 0.880 18374 3648 1 13 . 1 1 33 33 ALA N N 33 123.257 123.257 126.721 -3.464 18374 3649 1 13 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.848 -0.438 18374 3650 1 13 . 1 1 33 33 ALA CA C 33 49.806 49.806 49.885 -0.079 18374 3651 1 13 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.802 -1.174 18374 3652 1 13 . 1 1 33 33 ALA H H 33 8.490 8.490 8.615 -0.125 18374 3653 1 13 . 1 1 34 34 PHE N N 34 118.220 118.220 120.001 -1.781 18374 3654 1 13 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.733 0.341 18374 3655 1 13 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.534 -0.772 18374 3656 1 13 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.651 -1.429 18374 3657 1 13 . 1 1 34 34 PHE H H 34 8.948 8.948 8.632 0.316 18374 3658 1 13 . 1 1 35 35 HIS N N 35 116.759 116.759 121.441 -4.682 18374 3659 1 13 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.826 0.060 18374 3660 1 13 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.797 1.341 18374 3661 1 13 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.454 0.569 18374 3662 1 13 . 1 1 35 35 HIS H H 35 7.932 7.932 8.074 -0.142 18374 3663 1 13 . 1 1 36 36 TRP N N 36 127.649 127.649 127.444 0.205 18374 3664 1 13 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.612 -0.174 18374 3665 1 13 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.291 0.082 18374 3666 1 13 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.891 -0.567 18374 3667 1 13 . 1 1 36 36 TRP H H 36 9.421 9.421 9.072 0.349 18374 3668 1 13 . 1 1 37 37 ARG N N 37 113.040 113.040 117.247 -4.207 18374 3669 1 13 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.182 0.222 18374 3670 1 13 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.163 -1.690 18374 3671 1 13 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.672 -0.505 18374 3672 1 13 . 1 1 37 37 ARG H H 37 9.075 9.075 8.486 0.589 18374 3673 1 13 . 1 1 38 38 CYS N N 38 116.493 116.493 115.032 1.461 18374 3674 1 13 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.475 -0.257 18374 3675 1 13 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.745 1.714 18374 3676 1 13 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.403 3.273 18374 3677 1 13 . 1 1 38 38 CYS H H 38 7.169 7.169 8.382 -1.213 18374 3678 1 13 . 1 1 39 39 HIS N N 39 118.220 118.220 116.290 1.930 18374 3679 1 13 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.318 -0.095 18374 3680 1 13 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.586 0.890 18374 3681 1 13 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.035 4.305 18374 3682 1 13 . 1 1 39 39 HIS H H 39 7.562 7.562 7.607 -0.045 18374 3683 1 13 . 1 1 40 40 PHE N N 40 117.157 117.157 117.523 -0.366 18374 3684 1 13 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.765 0.018 18374 3685 1 13 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.219 -2.560 18374 3686 1 13 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.585 -0.778 18374 3687 1 13 . 1 1 40 40 PHE H H 40 8.282 8.282 8.323 -0.041 18374 3688 1 13 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.544 -0.057 18374 3689 1 13 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.635 0.584 18374 3690 1 13 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.514 -0.299 18374 3691 1 13 . 1 1 42 42 ALA N N 42 123.001 123.001 122.224 0.777 18374 3692 1 13 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.233 0.125 18374 3693 1 13 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.193 -1.180 18374 3694 1 13 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.745 -0.104 18374 3695 1 13 . 1 1 42 42 ALA H H 42 8.635 8.635 8.499 0.136 18374 3696 1 13 . 1 1 43 43 GLY N N 43 108.291 108.291 105.621 2.670 18374 3697 1 13 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.200 0.266 18374 3698 1 13 . 1 1 43 43 GLY H H 43 8.529 8.529 8.278 0.251 18374 3699 1 13 . 1 1 44 44 THR N N 44 113.961 113.961 118.158 -4.197 18374 3700 1 13 . 1 1 44 44 THR HA H 44 4.424 4.424 4.339 0.085 18374 3701 1 13 . 1 1 44 44 THR CA C 44 62.074 62.074 62.781 -0.707 18374 3702 1 13 . 1 1 44 44 THR CB C 44 70.259 70.259 69.750 0.509 18374 3703 1 13 . 1 1 44 44 THR H H 44 7.971 7.971 7.687 0.284 18374 3704 1 13 . 1 1 45 45 SER N N 45 120.467 120.467 118.326 2.141 18374 3705 1 13 . 1 1 45 45 SER HA H 45 4.280 4.280 4.561 -0.281 18374 3706 1 13 . 1 1 45 45 SER CA C 45 58.274 58.274 57.750 0.524 18374 3707 1 13 . 1 1 45 45 SER CB C 45 63.906 63.906 64.087 -0.181 18374 3708 1 13 . 1 1 45 45 SER H H 45 8.644 8.644 8.451 0.193 18374 3709 1 13 . 1 1 46 46 ARG N N 46 124.196 124.196 125.327 -1.131 18374 3710 1 13 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.611 0.309 18374 3711 1 13 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.448 -0.296 18374 3712 1 13 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.864 0.038 18374 3713 1 13 . 1 1 46 46 ARG H H 46 8.197 8.197 8.315 -0.118 18374 3714 1 13 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.349 -0.051 18374 3715 1 13 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.506 0.312 18374 3716 1 13 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.148 0.038 18374 3717 1 13 . 1 1 48 48 GLY N N 48 108.071 108.071 109.901 -1.830 18374 3718 1 13 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.749 -0.070 18374 3719 1 13 . 1 1 48 48 GLY H H 48 8.492 8.492 8.611 -0.119 18374 3720 1 13 . 1 1 49 49 THR N N 49 111.151 111.151 110.805 0.346 18374 3721 1 13 . 1 1 49 49 THR HA H 49 4.377 4.377 4.395 -0.018 18374 3722 1 13 . 1 1 49 49 THR CA C 49 60.690 60.690 60.923 -0.233 18374 3723 1 13 . 1 1 49 49 THR CB C 49 70.332 70.332 70.390 -0.058 18374 3724 1 13 . 1 1 49 49 THR H H 49 7.669 7.669 7.336 0.333 18374 3725 1 13 . 1 1 50 50 GLY N N 50 110.491 110.491 112.146 -1.655 18374 3726 1 13 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.061 1.120 18374 3727 1 13 . 1 1 50 50 GLY H H 50 8.459 8.459 8.486 -0.027 18374 3728 1 13 . 1 1 51 51 LEU N N 51 121.407 121.407 120.392 1.015 18374 3729 1 13 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.225 0.057 18374 3730 1 13 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.165 1.203 18374 3731 1 13 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.823 0.996 18374 3732 1 13 . 1 1 51 51 LEU H H 51 8.248 8.248 8.152 0.096 18374 3733 1 13 . 1 1 52 52 ARG N N 52 124.997 124.997 124.830 0.167 18374 3734 1 13 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.877 0.970 18374 3735 1 13 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.754 -0.623 18374 3736 1 13 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.309 1.677 18374 3737 1 13 . 1 1 52 52 ARG H H 52 8.639 8.639 8.421 0.218 18374 3738 1 13 . 1 1 53 53 CYS N N 53 120.743 120.743 121.604 -0.861 18374 3739 1 13 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.593 -0.100 18374 3740 1 13 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.244 -0.040 18374 3741 1 13 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.862 1.917 18374 3742 1 13 . 1 1 53 53 CYS H H 53 8.933 8.933 8.604 0.329 18374 3743 1 13 . 1 1 54 54 ARG N N 54 121.407 121.407 120.603 0.804 18374 3744 1 13 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.929 -0.119 18374 3745 1 13 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.909 -0.522 18374 3746 1 13 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.242 -1.359 18374 3747 1 13 . 1 1 54 54 ARG H H 54 10.380 10.380 8.434 1.946 18374 3748 1 13 . 1 1 55 55 SER N N 55 117.300 117.300 114.789 2.511 18374 3749 1 13 . 1 1 55 55 SER HA H 55 4.258 4.258 4.270 -0.012 18374 3750 1 13 . 1 1 55 55 SER CA C 55 61.216 61.216 61.179 0.037 18374 3751 1 13 . 1 1 55 55 SER CB C 55 62.830 62.830 62.973 -0.143 18374 3752 1 13 . 1 1 55 55 SER H H 55 8.228 8.228 8.182 0.046 18374 3753 1 13 . 1 1 56 56 CYS N N 56 122.602 122.602 119.863 2.739 18374 3754 1 13 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.383 -0.197 18374 3755 1 13 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.471 -0.229 18374 3756 1 13 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.361 2.555 18374 3757 1 13 . 1 1 56 56 CYS H H 56 7.999 7.999 7.732 0.267 18374 3758 1 13 . 1 1 57 57 SER N N 57 115.430 115.430 114.425 1.005 18374 3759 1 13 . 1 1 57 57 SER HA H 57 4.266 4.266 4.441 -0.175 18374 3760 1 13 . 1 1 57 57 SER CA C 57 59.992 59.992 60.230 -0.238 18374 3761 1 13 . 1 1 57 57 SER CB C 57 63.492 63.492 63.553 -0.061 18374 3762 1 13 . 1 1 57 57 SER H H 57 7.938 7.938 8.102 -0.164 18374 3763 1 13 . 1 1 58 58 GLY N N 58 109.391 109.391 109.846 -0.455 18374 3764 1 13 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.597 0.829 18374 3765 1 13 . 1 1 58 58 GLY H H 58 8.013 8.013 7.471 0.542 18374 3766 1 13 . 1 1 59 59 ASP N N 59 120.345 120.345 121.708 -1.363 18374 3767 1 13 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.614 -0.023 18374 3768 1 13 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.557 0.735 18374 3769 1 13 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.250 -0.167 18374 3770 1 13 . 1 1 59 59 ASP H H 59 8.130 8.130 8.137 -0.007 18374 3771 1 13 . 1 1 60 60 VAL N N 60 119.548 119.548 128.195 -8.647 18374 3772 1 13 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.195 -0.037 18374 3773 1 13 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.002 -0.087 18374 3774 1 13 . 1 1 60 60 VAL CB C 60 32.515 32.515 31.917 0.598 18374 3775 1 13 . 1 1 60 60 VAL H H 60 8.072 8.072 8.325 -0.253 18374 3776 1 13 . 1 1 61 61 THR N N 61 121.407 121.407 124.976 -3.569 18374 3777 1 13 . 1 1 61 61 THR HA H 61 4.509 4.509 4.396 0.113 18374 3778 1 13 . 1 1 61 61 THR CA C 61 59.848 59.848 61.290 -1.442 18374 3779 1 13 . 1 1 61 61 THR CB C 61 69.602 69.602 68.808 0.794 18374 3780 1 13 . 1 1 61 61 THR H H 61 8.335 8.335 8.291 0.044 18374 3781 1 13 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.485 -0.123 18374 3782 1 13 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.542 0.361 18374 3783 1 13 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.649 -0.700 18374 3784 1 13 . 1 1 63 63 ALA N N 63 125.923 125.923 126.581 -0.658 18374 3785 1 13 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.420 0.118 18374 3786 1 13 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.534 -0.266 18374 3787 1 13 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.784 -1.084 18374 3788 1 13 . 1 1 63 63 ALA H H 63 8.368 8.368 8.226 0.142 18374 3789 1 13 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.343 0.067 18374 3790 1 13 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.198 -0.301 18374 3791 1 13 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.729 0.195 18374 3792 1 13 . 1 1 65 65 VAL N N 65 120.526 120.526 121.059 -0.533 18374 3793 1 13 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.162 -0.089 18374 3794 1 13 . 1 1 65 65 VAL CA C 65 62.326 62.326 63.145 -0.819 18374 3795 1 13 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.113 -0.033 18374 3796 1 13 . 1 1 65 65 VAL H H 65 8.270 8.270 8.481 -0.211 18374 3797 1 14 . 1 1 2 2 ALA N N 2 123.688 123.688 124.136 -0.448 18374 3798 1 14 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.540 -0.242 18374 3799 1 14 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.727 0.983 18374 3800 1 14 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.164 1.071 18374 3801 1 14 . 1 1 2 2 ALA H H 2 8.653 8.653 8.291 0.362 18374 3802 1 14 . 1 1 3 3 MET N N 3 119.289 119.289 119.670 -0.381 18374 3803 1 14 . 1 1 3 3 MET HA H 3 4.426 4.426 4.330 0.096 18374 3804 1 14 . 1 1 3 3 MET CA C 3 55.430 55.430 56.365 -0.935 18374 3805 1 14 . 1 1 3 3 MET CB C 3 32.532 32.532 33.139 -0.607 18374 3806 1 14 . 1 1 3 3 MET H H 3 8.545 8.545 8.092 0.453 18374 3807 1 14 . 1 1 4 4 GLU N N 4 122.149 122.149 118.561 3.588 18374 3808 1 14 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.564 -0.320 18374 3809 1 14 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.877 1.154 18374 3810 1 14 . 1 1 4 4 GLU CB C 4 30.006 30.006 31.868 -1.862 18374 3811 1 14 . 1 1 4 4 GLU H H 4 8.440 8.440 8.127 0.313 18374 3812 1 14 . 1 1 5 5 GLY N N 5 110.051 110.051 109.821 0.230 18374 3813 1 14 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.683 -0.275 18374 3814 1 14 . 1 1 5 5 GLY H H 5 8.500 8.500 8.002 0.498 18374 3815 1 14 . 1 1 6 6 GLN N N 6 119.509 119.509 118.679 0.830 18374 3816 1 14 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.375 -0.089 18374 3817 1 14 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.742 -0.742 18374 3818 1 14 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.738 -0.530 18374 3819 1 14 . 1 1 6 6 GLN H H 6 8.242 8.242 8.384 -0.142 18374 3820 1 14 . 1 1 7 7 GLN N N 7 121.049 121.049 120.689 0.360 18374 3821 1 14 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.436 -0.175 18374 3822 1 14 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.784 1.320 18374 3823 1 14 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.642 1.562 18374 3824 1 14 . 1 1 7 7 GLN H H 7 8.534 8.534 8.449 0.085 18374 3825 1 14 . 1 1 8 8 ASN N N 8 119.289 119.289 120.760 -1.471 18374 3826 1 14 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.722 -0.077 18374 3827 1 14 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.194 -0.087 18374 3828 1 14 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.953 -0.434 18374 3829 1 14 . 1 1 8 8 ASN H H 8 8.486 8.486 7.992 0.494 18374 3830 1 14 . 1 1 9 9 LEU N N 9 122.204 122.204 126.252 -4.048 18374 3831 1 14 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.681 -0.390 18374 3832 1 14 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.450 0.266 18374 3833 1 14 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.734 -1.337 18374 3834 1 14 . 1 1 9 9 LEU H H 9 8.145 8.145 8.252 -0.107 18374 3835 1 14 . 1 1 10 10 ALA N N 10 126.188 126.188 130.797 -4.609 18374 3836 1 14 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.674 -0.142 18374 3837 1 14 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.155 0.182 18374 3838 1 14 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.826 -1.033 18374 3839 1 14 . 1 1 10 10 ALA H H 10 8.324 8.324 8.570 -0.246 18374 3840 1 14 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.437 -0.073 18374 3841 1 14 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.685 1.223 18374 3842 1 14 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.887 0.982 18374 3843 1 14 . 1 1 12 12 GLY N N 12 108.951 108.951 108.869 0.082 18374 3844 1 14 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.295 -0.074 18374 3845 1 14 . 1 1 12 12 GLY H H 12 8.501 8.501 7.957 0.544 18374 3846 1 14 . 1 1 13 13 ALA N N 13 123.134 123.134 125.403 -2.269 18374 3847 1 14 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.435 -0.201 18374 3848 1 14 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.578 0.531 18374 3849 1 14 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.812 1.713 18374 3850 1 14 . 1 1 13 13 ALA H H 13 7.957 7.957 8.419 -0.462 18374 3851 1 14 . 1 1 14 14 ARG N N 14 116.759 116.759 122.913 -6.154 18374 3852 1 14 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.652 -0.533 18374 3853 1 14 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.197 -1.387 18374 3854 1 14 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.979 -1.526 18374 3855 1 14 . 1 1 14 14 ARG H H 14 7.990 7.990 7.817 0.173 18374 3856 1 14 . 1 1 15 15 CYS N N 15 123.688 123.688 126.459 -2.771 18374 3857 1 14 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.954 -0.937 18374 3858 1 14 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.492 0.618 18374 3859 1 14 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.940 3.117 18374 3860 1 14 . 1 1 15 15 CYS H H 15 7.646 7.646 8.498 -0.852 18374 3861 1 14 . 1 1 16 16 GLY N N 16 117.749 117.749 115.915 1.834 18374 3862 1 14 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.704 0.081 18374 3863 1 14 . 1 1 16 16 GLY H H 16 8.916 8.916 8.993 -0.077 18374 3864 1 14 . 1 1 17 17 VAL N N 17 122.602 122.602 119.386 3.216 18374 3865 1 14 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.881 0.133 18374 3866 1 14 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.593 0.438 18374 3867 1 14 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.119 0.721 18374 3868 1 14 . 1 1 17 17 VAL H H 17 8.856 8.856 7.768 1.088 18374 3869 1 14 . 1 1 18 18 CYS N N 18 115.430 115.430 117.147 -1.717 18374 3870 1 14 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.644 0.282 18374 3871 1 14 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.648 -1.469 18374 3872 1 14 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.474 2.137 18374 3873 1 14 . 1 1 18 18 CYS H H 18 7.758 7.758 8.063 -0.305 18374 3874 1 14 . 1 1 19 19 GLY N N 19 113.040 113.040 108.638 4.402 18374 3875 1 14 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.176 1.181 18374 3876 1 14 . 1 1 19 19 GLY H H 19 8.029 8.029 8.618 -0.589 18374 3877 1 14 . 1 1 20 20 ASP N N 20 123.399 123.399 119.869 3.530 18374 3878 1 14 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.779 0.228 18374 3879 1 14 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.977 0.537 18374 3880 1 14 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.568 1.974 18374 3881 1 14 . 1 1 20 20 ASP H H 20 8.722 8.722 8.061 0.661 18374 3882 1 14 . 1 1 21 21 GLY N N 21 111.371 111.371 109.706 1.665 18374 3883 1 14 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.009 0.098 18374 3884 1 14 . 1 1 21 21 GLY H H 21 8.667 8.667 8.543 0.124 18374 3885 1 14 . 1 1 22 22 THR N N 22 118.220 118.220 116.845 1.375 18374 3886 1 14 . 1 1 22 22 THR HA H 22 3.979 3.979 4.274 -0.295 18374 3887 1 14 . 1 1 22 22 THR CA C 22 64.367 64.367 63.620 0.747 18374 3888 1 14 . 1 1 22 22 THR CB C 22 67.783 67.783 69.492 -1.709 18374 3889 1 14 . 1 1 22 22 THR H H 22 8.784 8.784 7.673 1.111 18374 3890 1 14 . 1 1 23 23 ASP N N 23 127.251 127.251 123.574 3.677 18374 3891 1 14 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.262 0.039 18374 3892 1 14 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.102 0.325 18374 3893 1 14 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.447 -1.408 18374 3894 1 14 . 1 1 23 23 ASP H H 23 9.376 9.376 8.766 0.610 18374 3895 1 14 . 1 1 24 24 VAL N N 24 111.371 111.371 117.445 -6.074 18374 3896 1 14 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.269 -0.709 18374 3897 1 14 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.325 0.391 18374 3898 1 14 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.864 -0.572 18374 3899 1 14 . 1 1 24 24 VAL H H 24 7.402 7.402 7.957 -0.555 18374 3900 1 14 . 1 1 25 25 LEU N N 25 123.908 123.908 128.993 -5.085 18374 3901 1 14 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.437 -0.098 18374 3902 1 14 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.151 -1.629 18374 3903 1 14 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.000 -0.558 18374 3904 1 14 . 1 1 25 25 LEU H H 25 8.328 8.328 8.952 -0.624 18374 3905 1 14 . 1 1 26 26 ARG N N 26 116.626 116.626 119.877 -3.251 18374 3906 1 14 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.266 -0.165 18374 3907 1 14 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.029 -0.374 18374 3908 1 14 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.835 -0.167 18374 3909 1 14 . 1 1 26 26 ARG H H 26 7.877 7.877 8.008 -0.131 18374 3910 1 14 . 1 1 27 27 CYS N N 27 126.328 126.328 123.408 2.920 18374 3911 1 14 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.026 -0.711 18374 3912 1 14 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.228 1.170 18374 3913 1 14 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.129 2.538 18374 3914 1 14 . 1 1 27 27 CYS H H 27 9.182 9.182 8.487 0.695 18374 3915 1 14 . 1 1 28 28 THR N N 28 122.470 122.470 121.856 0.614 18374 3916 1 14 . 1 1 28 28 THR HA H 28 4.166 4.166 4.429 -0.263 18374 3917 1 14 . 1 1 28 28 THR CA C 28 64.686 64.686 64.014 0.672 18374 3918 1 14 . 1 1 28 28 THR CB C 28 69.846 69.846 69.026 0.820 18374 3919 1 14 . 1 1 28 28 THR H H 28 8.956 8.956 9.168 -0.212 18374 3920 1 14 . 1 1 29 29 HIS N N 29 123.908 123.908 118.979 4.929 18374 3921 1 14 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.640 0.269 18374 3922 1 14 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.935 1.169 18374 3923 1 14 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.208 -0.663 18374 3924 1 14 . 1 1 29 29 HIS H H 29 9.464 9.464 8.455 1.009 18374 3925 1 14 . 1 1 30 30 CYS N N 30 119.946 119.946 115.081 4.865 18374 3926 1 14 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.765 0.046 18374 3927 1 14 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.690 2.400 18374 3928 1 14 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.530 2.368 18374 3929 1 14 . 1 1 30 30 CYS H H 30 8.710 8.710 7.790 0.920 18374 3930 1 14 . 1 1 31 31 ALA N N 31 120.477 120.477 124.703 -4.226 18374 3931 1 14 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.500 -0.216 18374 3932 1 14 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.849 2.641 18374 3933 1 14 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.941 -1.523 18374 3934 1 14 . 1 1 31 31 ALA H H 31 7.626 7.626 8.347 -0.721 18374 3935 1 14 . 1 1 32 32 ALA N N 32 125.524 125.524 125.824 -0.300 18374 3936 1 14 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.525 -0.279 18374 3937 1 14 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.515 1.325 18374 3938 1 14 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.951 -1.617 18374 3939 1 14 . 1 1 32 32 ALA H H 32 9.152 9.152 8.377 0.775 18374 3940 1 14 . 1 1 33 33 ALA N N 33 123.257 123.257 127.514 -4.257 18374 3941 1 14 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.373 0.037 18374 3942 1 14 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.493 -0.687 18374 3943 1 14 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.607 0.021 18374 3944 1 14 . 1 1 33 33 ALA H H 33 8.490 8.490 8.733 -0.243 18374 3945 1 14 . 1 1 34 34 PHE N N 34 118.220 118.220 121.370 -3.150 18374 3946 1 14 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.836 0.238 18374 3947 1 14 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.523 -0.761 18374 3948 1 14 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.652 -1.430 18374 3949 1 14 . 1 1 34 34 PHE H H 34 8.948 8.948 8.771 0.177 18374 3950 1 14 . 1 1 35 35 HIS N N 35 116.759 116.759 116.468 0.291 18374 3951 1 14 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.975 -0.089 18374 3952 1 14 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.453 1.685 18374 3953 1 14 . 1 1 35 35 HIS CB C 35 32.023 32.023 33.549 -1.526 18374 3954 1 14 . 1 1 35 35 HIS H H 35 7.932 7.932 7.943 -0.011 18374 3955 1 14 . 1 1 36 36 TRP N N 36 127.649 127.649 123.101 4.548 18374 3956 1 14 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.590 -0.152 18374 3957 1 14 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.560 0.813 18374 3958 1 14 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.970 -0.646 18374 3959 1 14 . 1 1 36 36 TRP H H 36 9.421 9.421 9.089 0.332 18374 3960 1 14 . 1 1 37 37 ARG N N 37 113.040 113.040 117.783 -4.743 18374 3961 1 14 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.232 0.172 18374 3962 1 14 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.049 -1.576 18374 3963 1 14 . 1 1 37 37 ARG CB C 37 29.167 29.167 30.065 -0.898 18374 3964 1 14 . 1 1 37 37 ARG H H 37 9.075 9.075 8.487 0.588 18374 3965 1 14 . 1 1 38 38 CYS N N 38 116.493 116.493 113.285 3.208 18374 3966 1 14 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.473 -0.255 18374 3967 1 14 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.680 2.779 18374 3968 1 14 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.180 3.496 18374 3969 1 14 . 1 1 38 38 CYS H H 38 7.169 7.169 8.476 -1.307 18374 3970 1 14 . 1 1 39 39 HIS N N 39 118.220 118.220 116.989 1.231 18374 3971 1 14 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.427 -0.204 18374 3972 1 14 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.994 1.482 18374 3973 1 14 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.544 3.796 18374 3974 1 14 . 1 1 39 39 HIS H H 39 7.562 7.562 7.541 0.021 18374 3975 1 14 . 1 1 40 40 PHE N N 40 117.157 117.157 118.302 -1.145 18374 3976 1 14 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.760 0.023 18374 3977 1 14 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.858 -2.199 18374 3978 1 14 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.898 -1.091 18374 3979 1 14 . 1 1 40 40 PHE H H 40 8.282 8.282 8.361 -0.079 18374 3980 1 14 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.541 -0.054 18374 3981 1 14 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.736 0.483 18374 3982 1 14 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.549 -0.334 18374 3983 1 14 . 1 1 42 42 ALA N N 42 123.001 123.001 123.675 -0.674 18374 3984 1 14 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.291 0.067 18374 3985 1 14 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.268 -1.255 18374 3986 1 14 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.755 -0.114 18374 3987 1 14 . 1 1 42 42 ALA H H 42 8.635 8.635 8.564 0.071 18374 3988 1 14 . 1 1 43 43 GLY N N 43 108.291 108.291 104.401 3.890 18374 3989 1 14 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.059 0.407 18374 3990 1 14 . 1 1 43 43 GLY H H 43 8.529 8.529 8.196 0.333 18374 3991 1 14 . 1 1 44 44 THR N N 44 113.961 113.961 118.909 -4.948 18374 3992 1 14 . 1 1 44 44 THR HA H 44 4.424 4.424 4.578 -0.154 18374 3993 1 14 . 1 1 44 44 THR CA C 44 62.074 62.074 62.451 -0.377 18374 3994 1 14 . 1 1 44 44 THR CB C 44 70.259 70.259 69.851 0.408 18374 3995 1 14 . 1 1 44 44 THR H H 44 7.971 7.971 7.951 0.020 18374 3996 1 14 . 1 1 45 45 SER N N 45 120.467 120.467 121.754 -1.287 18374 3997 1 14 . 1 1 45 45 SER HA H 45 4.280 4.280 4.445 -0.165 18374 3998 1 14 . 1 1 45 45 SER CA C 45 58.274 58.274 57.759 0.515 18374 3999 1 14 . 1 1 45 45 SER CB C 45 63.906 63.906 63.855 0.051 18374 4000 1 14 . 1 1 45 45 SER H H 45 8.644 8.644 8.670 -0.026 18374 4001 1 14 . 1 1 46 46 ARG N N 46 124.196 124.196 124.441 -0.245 18374 4002 1 14 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.054 0.866 18374 4003 1 14 . 1 1 46 46 ARG CA C 46 53.152 53.152 52.891 0.261 18374 4004 1 14 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.819 0.083 18374 4005 1 14 . 1 1 46 46 ARG H H 46 8.197 8.197 8.258 -0.061 18374 4006 1 14 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.426 -0.128 18374 4007 1 14 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.279 0.539 18374 4008 1 14 . 1 1 47 47 PRO CB C 47 32.186 32.186 33.496 -1.310 18374 4009 1 14 . 1 1 48 48 GLY N N 48 108.071 108.071 109.058 -0.987 18374 4010 1 14 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.684 -0.005 18374 4011 1 14 . 1 1 48 48 GLY H H 48 8.492 8.492 8.512 -0.020 18374 4012 1 14 . 1 1 49 49 THR N N 49 111.151 111.151 110.520 0.631 18374 4013 1 14 . 1 1 49 49 THR HA H 49 4.377 4.377 4.452 -0.075 18374 4014 1 14 . 1 1 49 49 THR CA C 49 60.690 60.690 61.080 -0.390 18374 4015 1 14 . 1 1 49 49 THR CB C 49 70.332 70.332 69.273 1.059 18374 4016 1 14 . 1 1 49 49 THR H H 49 7.669 7.669 7.516 0.153 18374 4017 1 14 . 1 1 50 50 GLY N N 50 110.491 110.491 109.543 0.948 18374 4018 1 14 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.213 0.968 18374 4019 1 14 . 1 1 50 50 GLY H H 50 8.459 8.459 8.155 0.304 18374 4020 1 14 . 1 1 51 51 LEU N N 51 121.407 121.407 120.855 0.552 18374 4021 1 14 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.417 -0.135 18374 4022 1 14 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.397 0.971 18374 4023 1 14 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.289 0.530 18374 4024 1 14 . 1 1 51 51 LEU H H 51 8.248 8.248 8.233 0.015 18374 4025 1 14 . 1 1 52 52 ARG N N 52 124.997 124.997 123.677 1.320 18374 4026 1 14 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.894 0.953 18374 4027 1 14 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.540 -0.409 18374 4028 1 14 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.178 1.807 18374 4029 1 14 . 1 1 52 52 ARG H H 52 8.639 8.639 8.458 0.181 18374 4030 1 14 . 1 1 53 53 CYS N N 53 120.743 120.743 122.373 -1.630 18374 4031 1 14 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.864 -0.371 18374 4032 1 14 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.322 -0.118 18374 4033 1 14 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.060 1.719 18374 4034 1 14 . 1 1 53 53 CYS H H 53 8.933 8.933 8.615 0.318 18374 4035 1 14 . 1 1 54 54 ARG N N 54 121.407 121.407 119.418 1.989 18374 4036 1 14 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.950 -0.140 18374 4037 1 14 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.810 0.577 18374 4038 1 14 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.665 -0.782 18374 4039 1 14 . 1 1 54 54 ARG H H 54 10.380 10.380 8.445 1.935 18374 4040 1 14 . 1 1 55 55 SER N N 55 117.300 117.300 114.998 2.302 18374 4041 1 14 . 1 1 55 55 SER HA H 55 4.258 4.258 4.342 -0.084 18374 4042 1 14 . 1 1 55 55 SER CA C 55 61.216 61.216 61.583 -0.367 18374 4043 1 14 . 1 1 55 55 SER CB C 55 62.830 62.830 63.429 -0.599 18374 4044 1 14 . 1 1 55 55 SER H H 55 8.228 8.228 7.911 0.317 18374 4045 1 14 . 1 1 56 56 CYS N N 56 122.602 122.602 119.490 3.112 18374 4046 1 14 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.304 -0.118 18374 4047 1 14 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.304 0.938 18374 4048 1 14 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.614 3.302 18374 4049 1 14 . 1 1 56 56 CYS H H 56 7.999 7.999 7.677 0.322 18374 4050 1 14 . 1 1 57 57 SER N N 57 115.430 115.430 112.863 2.567 18374 4051 1 14 . 1 1 57 57 SER HA H 57 4.266 4.266 4.259 0.007 18374 4052 1 14 . 1 1 57 57 SER CA C 57 59.992 59.992 59.520 0.472 18374 4053 1 14 . 1 1 57 57 SER CB C 57 63.492 63.492 63.796 -0.304 18374 4054 1 14 . 1 1 57 57 SER H H 57 7.938 7.938 8.088 -0.150 18374 4055 1 14 . 1 1 58 58 GLY N N 58 109.391 109.391 108.203 1.188 18374 4056 1 14 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.705 0.721 18374 4057 1 14 . 1 1 58 58 GLY H H 58 8.013 8.013 7.369 0.644 18374 4058 1 14 . 1 1 59 59 ASP N N 59 120.345 120.345 120.113 0.232 18374 4059 1 14 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.586 0.005 18374 4060 1 14 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.362 0.930 18374 4061 1 14 . 1 1 59 59 ASP CB C 59 41.083 41.083 38.813 2.270 18374 4062 1 14 . 1 1 59 59 ASP H H 59 8.130 8.130 8.535 -0.405 18374 4063 1 14 . 1 1 60 60 VAL N N 60 119.548 119.548 122.521 -2.973 18374 4064 1 14 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.147 0.011 18374 4065 1 14 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.208 -0.293 18374 4066 1 14 . 1 1 60 60 VAL CB C 60 32.515 32.515 29.975 2.540 18374 4067 1 14 . 1 1 60 60 VAL H H 60 8.072 8.072 7.471 0.601 18374 4068 1 14 . 1 1 61 61 THR N N 61 121.407 121.407 120.885 0.522 18374 4069 1 14 . 1 1 61 61 THR HA H 61 4.509 4.509 4.770 -0.261 18374 4070 1 14 . 1 1 61 61 THR CA C 61 59.848 59.848 59.335 0.513 18374 4071 1 14 . 1 1 61 61 THR CB C 61 69.602 69.602 69.561 0.041 18374 4072 1 14 . 1 1 61 61 THR H H 61 8.335 8.335 7.789 0.546 18374 4073 1 14 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.522 -0.160 18374 4074 1 14 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.589 0.314 18374 4075 1 14 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.485 -0.536 18374 4076 1 14 . 1 1 63 63 ALA N N 63 125.923 125.923 125.993 -0.070 18374 4077 1 14 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.521 0.017 18374 4078 1 14 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.535 -0.267 18374 4079 1 14 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.201 -1.501 18374 4080 1 14 . 1 1 63 63 ALA H H 63 8.368 8.368 8.257 0.111 18374 4081 1 14 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.486 -0.076 18374 4082 1 14 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.569 0.328 18374 4083 1 14 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.411 -0.487 18374 4084 1 14 . 1 1 65 65 VAL N N 65 120.526 120.526 124.552 -4.026 18374 4085 1 14 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.161 -0.088 18374 4086 1 14 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.367 -0.041 18374 4087 1 14 . 1 1 65 65 VAL CB C 65 32.080 32.080 30.492 1.588 18374 4088 1 14 . 1 1 65 65 VAL H H 65 8.270 8.270 8.350 -0.080 18374 4089 1 15 . 1 1 2 2 ALA N N 2 123.688 123.688 122.715 0.973 18374 4090 1 15 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.032 0.266 18374 4091 1 15 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.587 0.122 18374 4092 1 15 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.120 1.115 18374 4093 1 15 . 1 1 2 2 ALA H H 2 8.653 8.653 8.326 0.327 18374 4094 1 15 . 1 1 3 3 MET N N 3 119.289 119.289 116.727 2.562 18374 4095 1 15 . 1 1 3 3 MET HA H 3 4.426 4.426 4.521 -0.095 18374 4096 1 15 . 1 1 3 3 MET CA C 3 55.430 55.430 55.261 0.169 18374 4097 1 15 . 1 1 3 3 MET CB C 3 32.532 32.532 33.094 -0.562 18374 4098 1 15 . 1 1 3 3 MET H H 3 8.545 8.545 8.345 0.200 18374 4099 1 15 . 1 1 4 4 GLU N N 4 122.149 122.149 116.400 5.749 18374 4100 1 15 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.511 -0.267 18374 4101 1 15 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.084 1.948 18374 4102 1 15 . 1 1 4 4 GLU CB C 4 30.006 30.006 31.752 -1.746 18374 4103 1 15 . 1 1 4 4 GLU H H 4 8.440 8.440 7.760 0.680 18374 4104 1 15 . 1 1 5 5 GLY N N 5 110.051 110.051 108.809 1.242 18374 4105 1 15 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.240 0.168 18374 4106 1 15 . 1 1 5 5 GLY H H 5 8.500 8.500 8.535 -0.035 18374 4107 1 15 . 1 1 6 6 GLN N N 6 119.509 119.509 121.576 -2.067 18374 4108 1 15 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.274 0.012 18374 4109 1 15 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.392 -0.392 18374 4110 1 15 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.006 0.202 18374 4111 1 15 . 1 1 6 6 GLN H H 6 8.242 8.242 8.827 -0.585 18374 4112 1 15 . 1 1 7 7 GLN N N 7 121.049 121.049 120.618 0.431 18374 4113 1 15 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.375 -0.114 18374 4114 1 15 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.600 1.504 18374 4115 1 15 . 1 1 7 7 GLN CB C 7 29.204 29.204 26.817 2.386 18374 4116 1 15 . 1 1 7 7 GLN H H 7 8.534 8.534 8.562 -0.028 18374 4117 1 15 . 1 1 8 8 ASN N N 8 119.289 119.289 120.566 -1.277 18374 4118 1 15 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.755 -0.110 18374 4119 1 15 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.270 0.837 18374 4120 1 15 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.568 0.951 18374 4121 1 15 . 1 1 8 8 ASN H H 8 8.486 8.486 8.127 0.359 18374 4122 1 15 . 1 1 9 9 LEU N N 9 122.204 122.204 122.011 0.193 18374 4123 1 15 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.388 -0.097 18374 4124 1 15 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.511 0.204 18374 4125 1 15 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.931 0.466 18374 4126 1 15 . 1 1 9 9 LEU H H 9 8.145 8.145 7.668 0.477 18374 4127 1 15 . 1 1 10 10 ALA N N 10 126.188 126.188 130.740 -4.552 18374 4128 1 15 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.525 0.007 18374 4129 1 15 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.561 -0.224 18374 4130 1 15 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.756 -0.963 18374 4131 1 15 . 1 1 10 10 ALA H H 10 8.324 8.324 8.562 -0.238 18374 4132 1 15 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.465 -0.101 18374 4133 1 15 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.235 0.673 18374 4134 1 15 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.899 1.970 18374 4135 1 15 . 1 1 12 12 GLY N N 12 108.951 108.951 108.247 0.704 18374 4136 1 15 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.224 -0.003 18374 4137 1 15 . 1 1 12 12 GLY H H 12 8.501 8.501 7.710 0.791 18374 4138 1 15 . 1 1 13 13 ALA N N 13 123.134 123.134 128.380 -5.246 18374 4139 1 15 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.467 -0.233 18374 4140 1 15 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.054 0.055 18374 4141 1 15 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.142 1.383 18374 4142 1 15 . 1 1 13 13 ALA H H 13 7.957 7.957 8.690 -0.733 18374 4143 1 15 . 1 1 14 14 ARG N N 14 116.759 116.759 120.635 -3.876 18374 4144 1 15 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.627 -0.508 18374 4145 1 15 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.419 -0.609 18374 4146 1 15 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.739 -2.286 18374 4147 1 15 . 1 1 14 14 ARG H H 14 7.990 7.990 7.934 0.056 18374 4148 1 15 . 1 1 15 15 CYS N N 15 123.688 123.688 122.937 0.751 18374 4149 1 15 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.684 -0.667 18374 4150 1 15 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.897 0.213 18374 4151 1 15 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.283 3.774 18374 4152 1 15 . 1 1 15 15 CYS H H 15 7.646 7.646 8.468 -0.822 18374 4153 1 15 . 1 1 16 16 GLY N N 16 117.749 117.749 116.583 1.166 18374 4154 1 15 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.384 -0.599 18374 4155 1 15 . 1 1 16 16 GLY H H 16 8.916 8.916 9.207 -0.291 18374 4156 1 15 . 1 1 17 17 VAL N N 17 122.602 122.602 120.559 2.043 18374 4157 1 15 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.014 -0.000 18374 4158 1 15 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.686 0.345 18374 4159 1 15 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.241 0.599 18374 4160 1 15 . 1 1 17 17 VAL H H 17 8.856 8.856 7.881 0.975 18374 4161 1 15 . 1 1 18 18 CYS N N 18 115.430 115.430 117.405 -1.975 18374 4162 1 15 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.762 0.164 18374 4163 1 15 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.442 -1.263 18374 4164 1 15 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.591 2.020 18374 4165 1 15 . 1 1 18 18 CYS H H 18 7.758 7.758 8.074 -0.316 18374 4166 1 15 . 1 1 19 19 GLY N N 19 113.040 113.040 110.183 2.857 18374 4167 1 15 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.577 0.780 18374 4168 1 15 . 1 1 19 19 GLY H H 19 8.029 8.029 8.858 -0.829 18374 4169 1 15 . 1 1 20 20 ASP N N 20 123.399 123.399 119.156 4.243 18374 4170 1 15 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.944 0.063 18374 4171 1 15 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.457 1.057 18374 4172 1 15 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.979 0.563 18374 4173 1 15 . 1 1 20 20 ASP H H 20 8.722 8.722 7.468 1.254 18374 4174 1 15 . 1 1 21 21 GLY N N 21 111.371 111.371 109.752 1.619 18374 4175 1 15 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.382 0.725 18374 4176 1 15 . 1 1 21 21 GLY H H 21 8.667 8.667 8.631 0.036 18374 4177 1 15 . 1 1 22 22 THR N N 22 118.220 118.220 119.076 -0.856 18374 4178 1 15 . 1 1 22 22 THR HA H 22 3.979 3.979 4.306 -0.327 18374 4179 1 15 . 1 1 22 22 THR CA C 22 64.367 64.367 64.100 0.267 18374 4180 1 15 . 1 1 22 22 THR CB C 22 67.783 67.783 69.156 -1.373 18374 4181 1 15 . 1 1 22 22 THR H H 22 8.784 8.784 8.541 0.243 18374 4182 1 15 . 1 1 23 23 ASP N N 23 127.251 127.251 123.512 3.739 18374 4183 1 15 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.291 0.010 18374 4184 1 15 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.052 0.375 18374 4185 1 15 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.904 -0.865 18374 4186 1 15 . 1 1 23 23 ASP H H 23 9.376 9.376 8.906 0.470 18374 4187 1 15 . 1 1 24 24 VAL N N 24 111.371 111.371 118.179 -6.808 18374 4188 1 15 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.383 -0.823 18374 4189 1 15 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.806 0.910 18374 4190 1 15 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.343 -1.051 18374 4191 1 15 . 1 1 24 24 VAL H H 24 7.402 7.402 7.802 -0.400 18374 4192 1 15 . 1 1 25 25 LEU N N 25 123.908 123.908 128.041 -4.133 18374 4193 1 15 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.487 -0.148 18374 4194 1 15 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.136 -1.614 18374 4195 1 15 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.699 -0.257 18374 4196 1 15 . 1 1 25 25 LEU H H 25 8.328 8.328 8.274 0.054 18374 4197 1 15 . 1 1 26 26 ARG N N 26 116.626 116.626 119.649 -3.023 18374 4198 1 15 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.337 -0.236 18374 4199 1 15 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.286 -0.631 18374 4200 1 15 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.678 -0.010 18374 4201 1 15 . 1 1 26 26 ARG H H 26 7.877 7.877 8.063 -0.186 18374 4202 1 15 . 1 1 27 27 CYS N N 27 126.328 126.328 122.737 3.591 18374 4203 1 15 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.823 -0.508 18374 4204 1 15 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.901 1.498 18374 4205 1 15 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.918 1.749 18374 4206 1 15 . 1 1 27 27 CYS H H 27 9.182 9.182 8.408 0.774 18374 4207 1 15 . 1 1 28 28 THR N N 28 122.470 122.470 121.846 0.624 18374 4208 1 15 . 1 1 28 28 THR HA H 28 4.166 4.166 4.432 -0.266 18374 4209 1 15 . 1 1 28 28 THR CA C 28 64.686 64.686 64.338 0.348 18374 4210 1 15 . 1 1 28 28 THR CB C 28 69.846 69.846 69.096 0.750 18374 4211 1 15 . 1 1 28 28 THR H H 28 8.956 8.956 9.049 -0.093 18374 4212 1 15 . 1 1 29 29 HIS N N 29 123.908 123.908 119.554 4.354 18374 4213 1 15 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.586 0.323 18374 4214 1 15 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.983 1.121 18374 4215 1 15 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.946 -0.401 18374 4216 1 15 . 1 1 29 29 HIS H H 29 9.464 9.464 8.562 0.902 18374 4217 1 15 . 1 1 30 30 CYS N N 30 119.946 119.946 114.724 5.222 18374 4218 1 15 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.885 -0.074 18374 4219 1 15 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.163 2.927 18374 4220 1 15 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.022 1.876 18374 4221 1 15 . 1 1 30 30 CYS H H 30 8.710 8.710 7.842 0.868 18374 4222 1 15 . 1 1 31 31 ALA N N 31 120.477 120.477 124.434 -3.957 18374 4223 1 15 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.604 -0.320 18374 4224 1 15 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.842 2.648 18374 4225 1 15 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.944 -1.526 18374 4226 1 15 . 1 1 31 31 ALA H H 31 7.626 7.626 8.502 -0.876 18374 4227 1 15 . 1 1 32 32 ALA N N 32 125.524 125.524 125.147 0.377 18374 4228 1 15 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.567 -0.321 18374 4229 1 15 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.487 1.353 18374 4230 1 15 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.910 -1.577 18374 4231 1 15 . 1 1 32 32 ALA H H 32 9.152 9.152 8.339 0.813 18374 4232 1 15 . 1 1 33 33 ALA N N 33 123.257 123.257 123.969 -0.712 18374 4233 1 15 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.703 -0.293 18374 4234 1 15 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.412 -0.606 18374 4235 1 15 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.837 -1.209 18374 4236 1 15 . 1 1 33 33 ALA H H 33 8.490 8.490 8.627 -0.137 18374 4237 1 15 . 1 1 34 34 PHE N N 34 118.220 118.220 120.186 -1.966 18374 4238 1 15 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.724 0.350 18374 4239 1 15 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.544 -0.781 18374 4240 1 15 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.839 -1.617 18374 4241 1 15 . 1 1 34 34 PHE H H 34 8.948 8.948 8.719 0.229 18374 4242 1 15 . 1 1 35 35 HIS N N 35 116.759 116.759 121.818 -5.059 18374 4243 1 15 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.799 0.087 18374 4244 1 15 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.908 1.230 18374 4245 1 15 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.982 1.042 18374 4246 1 15 . 1 1 35 35 HIS H H 35 7.932 7.932 8.127 -0.195 18374 4247 1 15 . 1 1 36 36 TRP N N 36 127.649 127.649 127.410 0.239 18374 4248 1 15 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.549 -0.111 18374 4249 1 15 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.124 0.249 18374 4250 1 15 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.775 -0.451 18374 4251 1 15 . 1 1 36 36 TRP H H 36 9.421 9.421 9.168 0.253 18374 4252 1 15 . 1 1 37 37 ARG N N 37 113.040 113.040 116.962 -3.922 18374 4253 1 15 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.429 -0.025 18374 4254 1 15 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.871 -1.398 18374 4255 1 15 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.797 -0.629 18374 4256 1 15 . 1 1 37 37 ARG H H 37 9.075 9.075 8.654 0.421 18374 4257 1 15 . 1 1 38 38 CYS N N 38 116.493 116.493 115.392 1.101 18374 4258 1 15 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.494 -0.276 18374 4259 1 15 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.435 2.024 18374 4260 1 15 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.623 3.053 18374 4261 1 15 . 1 1 38 38 CYS H H 38 7.169 7.169 7.977 -0.808 18374 4262 1 15 . 1 1 39 39 HIS N N 39 118.220 118.220 117.762 0.458 18374 4263 1 15 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.404 -0.181 18374 4264 1 15 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.281 1.196 18374 4265 1 15 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.218 3.123 18374 4266 1 15 . 1 1 39 39 HIS H H 39 7.562 7.562 7.661 -0.099 18374 4267 1 15 . 1 1 40 40 PHE N N 40 117.157 117.157 118.420 -1.263 18374 4268 1 15 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.645 0.138 18374 4269 1 15 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.269 -2.610 18374 4270 1 15 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.579 -0.772 18374 4271 1 15 . 1 1 40 40 PHE H H 40 8.282 8.282 8.215 0.067 18374 4272 1 15 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.528 -0.041 18374 4273 1 15 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.675 0.544 18374 4274 1 15 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.309 -0.095 18374 4275 1 15 . 1 1 42 42 ALA N N 42 123.001 123.001 123.729 -0.728 18374 4276 1 15 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.221 0.137 18374 4277 1 15 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.009 -0.996 18374 4278 1 15 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.739 -0.098 18374 4279 1 15 . 1 1 42 42 ALA H H 42 8.635 8.635 8.564 0.071 18374 4280 1 15 . 1 1 43 43 GLY N N 43 108.291 108.291 105.234 3.057 18374 4281 1 15 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.251 0.215 18374 4282 1 15 . 1 1 43 43 GLY H H 43 8.529 8.529 8.202 0.327 18374 4283 1 15 . 1 1 44 44 THR N N 44 113.961 113.961 119.962 -6.001 18374 4284 1 15 . 1 1 44 44 THR HA H 44 4.424 4.424 4.494 -0.070 18374 4285 1 15 . 1 1 44 44 THR CA C 44 62.074 62.074 63.391 -1.317 18374 4286 1 15 . 1 1 44 44 THR CB C 44 70.259 70.259 69.710 0.549 18374 4287 1 15 . 1 1 44 44 THR H H 44 7.971 7.971 7.855 0.116 18374 4288 1 15 . 1 1 45 45 SER N N 45 120.467 120.467 122.631 -2.164 18374 4289 1 15 . 1 1 45 45 SER HA H 45 4.280 4.280 4.669 -0.389 18374 4290 1 15 . 1 1 45 45 SER CA C 45 58.274 58.274 58.289 -0.016 18374 4291 1 15 . 1 1 45 45 SER CB C 45 63.906 63.906 64.334 -0.428 18374 4292 1 15 . 1 1 45 45 SER H H 45 8.644 8.644 8.765 -0.121 18374 4293 1 15 . 1 1 46 46 ARG N N 46 124.196 124.196 124.756 -0.560 18374 4294 1 15 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.675 0.245 18374 4295 1 15 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.720 -0.568 18374 4296 1 15 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.834 1.068 18374 4297 1 15 . 1 1 46 46 ARG H H 46 8.197 8.197 8.228 -0.031 18374 4298 1 15 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.407 -0.109 18374 4299 1 15 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.395 0.423 18374 4300 1 15 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.248 -0.062 18374 4301 1 15 . 1 1 48 48 GLY N N 48 108.071 108.071 109.562 -1.491 18374 4302 1 15 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.625 0.054 18374 4303 1 15 . 1 1 48 48 GLY H H 48 8.492 8.492 8.557 -0.065 18374 4304 1 15 . 1 1 49 49 THR N N 49 111.151 111.151 111.876 -0.725 18374 4305 1 15 . 1 1 49 49 THR HA H 49 4.377 4.377 4.384 -0.007 18374 4306 1 15 . 1 1 49 49 THR CA C 49 60.690 60.690 61.178 -0.489 18374 4307 1 15 . 1 1 49 49 THR CB C 49 70.332 70.332 68.900 1.432 18374 4308 1 15 . 1 1 49 49 THR H H 49 7.669 7.669 7.751 -0.082 18374 4309 1 15 . 1 1 50 50 GLY N N 50 110.491 110.491 108.826 1.665 18374 4310 1 15 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.505 1.675 18374 4311 1 15 . 1 1 50 50 GLY H H 50 8.459 8.459 7.120 1.339 18374 4312 1 15 . 1 1 51 51 LEU N N 51 121.407 121.407 123.011 -1.604 18374 4313 1 15 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.224 0.058 18374 4314 1 15 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.289 1.079 18374 4315 1 15 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.314 0.505 18374 4316 1 15 . 1 1 51 51 LEU H H 51 8.248 8.248 8.335 -0.087 18374 4317 1 15 . 1 1 52 52 ARG N N 52 124.997 124.997 125.546 -0.549 18374 4318 1 15 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.762 1.085 18374 4319 1 15 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.478 -0.347 18374 4320 1 15 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.787 2.198 18374 4321 1 15 . 1 1 52 52 ARG H H 52 8.639 8.639 8.215 0.424 18374 4322 1 15 . 1 1 53 53 CYS N N 53 120.743 120.743 121.734 -0.991 18374 4323 1 15 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.759 -1.266 18374 4324 1 15 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.744 0.460 18374 4325 1 15 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.876 -0.097 18374 4326 1 15 . 1 1 53 53 CYS H H 53 8.933 8.933 8.531 0.402 18374 4327 1 15 . 1 1 54 54 ARG N N 54 121.407 121.407 120.792 0.615 18374 4328 1 15 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.161 -0.351 18374 4329 1 15 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.205 0.182 18374 4330 1 15 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.330 -0.447 18374 4331 1 15 . 1 1 54 54 ARG H H 54 10.380 10.380 8.817 1.563 18374 4332 1 15 . 1 1 55 55 SER N N 55 117.300 117.300 114.721 2.579 18374 4333 1 15 . 1 1 55 55 SER HA H 55 4.258 4.258 4.357 -0.099 18374 4334 1 15 . 1 1 55 55 SER CA C 55 61.216 61.216 61.005 0.211 18374 4335 1 15 . 1 1 55 55 SER CB C 55 62.830 62.830 63.188 -0.358 18374 4336 1 15 . 1 1 55 55 SER H H 55 8.228 8.228 8.235 -0.007 18374 4337 1 15 . 1 1 56 56 CYS N N 56 122.602 122.602 120.487 2.115 18374 4338 1 15 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.477 -0.291 18374 4339 1 15 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.332 -0.090 18374 4340 1 15 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.083 2.833 18374 4341 1 15 . 1 1 56 56 CYS H H 56 7.999 7.999 7.868 0.131 18374 4342 1 15 . 1 1 57 57 SER N N 57 115.430 115.430 114.156 1.274 18374 4343 1 15 . 1 1 57 57 SER HA H 57 4.266 4.266 4.406 -0.140 18374 4344 1 15 . 1 1 57 57 SER CA C 57 59.992 59.992 59.268 0.724 18374 4345 1 15 . 1 1 57 57 SER CB C 57 63.492 63.492 62.749 0.743 18374 4346 1 15 . 1 1 57 57 SER H H 57 7.938 7.938 8.497 -0.559 18374 4347 1 15 . 1 1 58 58 GLY N N 58 109.391 109.391 108.825 0.566 18374 4348 1 15 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.274 0.152 18374 4349 1 15 . 1 1 58 58 GLY H H 58 8.013 8.013 7.529 0.484 18374 4350 1 15 . 1 1 59 59 ASP N N 59 120.345 120.345 121.785 -1.440 18374 4351 1 15 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.722 -0.131 18374 4352 1 15 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.014 1.278 18374 4353 1 15 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.315 0.768 18374 4354 1 15 . 1 1 59 59 ASP H H 59 8.130 8.130 7.692 0.438 18374 4355 1 15 . 1 1 60 60 VAL N N 60 119.548 119.548 125.649 -6.101 18374 4356 1 15 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.212 -0.054 18374 4357 1 15 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.161 -0.246 18374 4358 1 15 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.608 -0.093 18374 4359 1 15 . 1 1 60 60 VAL H H 60 8.072 8.072 7.757 0.315 18374 4360 1 15 . 1 1 61 61 THR N N 61 121.407 121.407 124.786 -3.379 18374 4361 1 15 . 1 1 61 61 THR HA H 61 4.509 4.509 4.472 0.037 18374 4362 1 15 . 1 1 61 61 THR CA C 61 59.848 59.848 60.928 -1.080 18374 4363 1 15 . 1 1 61 61 THR CB C 61 69.602 69.602 68.843 0.759 18374 4364 1 15 . 1 1 61 61 THR H H 61 8.335 8.335 8.308 0.027 18374 4365 1 15 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.512 -0.150 18374 4366 1 15 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.727 0.176 18374 4367 1 15 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.770 -0.821 18374 4368 1 15 . 1 1 63 63 ALA N N 63 125.923 125.923 125.402 0.521 18374 4369 1 15 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.641 -0.103 18374 4370 1 15 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.942 0.326 18374 4371 1 15 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.473 -1.773 18374 4372 1 15 . 1 1 63 63 ALA H H 63 8.368 8.368 8.272 0.096 18374 4373 1 15 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.460 -0.050 18374 4374 1 15 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.041 -0.144 18374 4375 1 15 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.037 1.887 18374 4376 1 15 . 1 1 65 65 VAL N N 65 120.526 120.526 118.741 1.785 18374 4377 1 15 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.425 -0.352 18374 4378 1 15 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.827 1.499 18374 4379 1 15 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.645 -1.565 18374 4380 1 15 . 1 1 65 65 VAL H H 65 8.270 8.270 8.007 0.263 18374 4381 1 16 . 1 1 2 2 ALA N N 2 123.688 123.688 127.421 -3.733 18374 4382 1 16 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.513 -0.215 18374 4383 1 16 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.191 0.519 18374 4384 1 16 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.590 0.645 18374 4385 1 16 . 1 1 2 2 ALA H H 2 8.653 8.653 8.441 0.212 18374 4386 1 16 . 1 1 3 3 MET N N 3 119.289 119.289 116.685 2.604 18374 4387 1 16 . 1 1 3 3 MET HA H 3 4.426 4.426 4.812 -0.386 18374 4388 1 16 . 1 1 3 3 MET CA C 3 55.430 55.430 54.895 0.535 18374 4389 1 16 . 1 1 3 3 MET CB C 3 32.532 32.532 33.501 -0.969 18374 4390 1 16 . 1 1 3 3 MET H H 3 8.545 8.545 7.667 0.878 18374 4391 1 16 . 1 1 4 4 GLU N N 4 122.149 122.149 120.994 1.155 18374 4392 1 16 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.446 -0.202 18374 4393 1 16 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.126 0.905 18374 4394 1 16 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.038 -0.032 18374 4395 1 16 . 1 1 4 4 GLU H H 4 8.440 8.440 8.078 0.362 18374 4396 1 16 . 1 1 5 5 GLY N N 5 110.051 110.051 113.651 -3.600 18374 4397 1 16 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.072 0.337 18374 4398 1 16 . 1 1 5 5 GLY H H 5 8.500 8.500 8.909 -0.409 18374 4399 1 16 . 1 1 6 6 GLN N N 6 119.509 119.509 119.697 -0.188 18374 4400 1 16 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.010 0.276 18374 4401 1 16 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.982 -1.982 18374 4402 1 16 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.627 0.581 18374 4403 1 16 . 1 1 6 6 GLN H H 6 8.242 8.242 8.462 -0.220 18374 4404 1 16 . 1 1 7 7 GLN N N 7 121.049 121.049 118.038 3.011 18374 4405 1 16 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.274 -0.013 18374 4406 1 16 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.490 -0.386 18374 4407 1 16 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.180 1.024 18374 4408 1 16 . 1 1 7 7 GLN H H 7 8.534 8.534 8.426 0.108 18374 4409 1 16 . 1 1 8 8 ASN N N 8 119.289 119.289 118.101 1.188 18374 4410 1 16 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.864 -0.219 18374 4411 1 16 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.752 0.355 18374 4412 1 16 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.937 -0.418 18374 4413 1 16 . 1 1 8 8 ASN H H 8 8.486 8.486 7.477 1.009 18374 4414 1 16 . 1 1 9 9 LEU N N 9 122.204 122.204 121.016 1.188 18374 4415 1 16 . 1 1 9 9 LEU HA H 9 4.291 4.291 3.973 0.318 18374 4416 1 16 . 1 1 9 9 LEU CA C 9 54.716 54.716 55.271 -0.555 18374 4417 1 16 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.149 1.248 18374 4418 1 16 . 1 1 9 9 LEU H H 9 8.145 8.145 7.456 0.689 18374 4419 1 16 . 1 1 10 10 ALA N N 10 126.188 126.188 128.269 -2.081 18374 4420 1 16 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.567 -0.035 18374 4421 1 16 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.763 -0.426 18374 4422 1 16 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.073 -1.280 18374 4423 1 16 . 1 1 10 10 ALA H H 10 8.324 8.324 8.392 -0.068 18374 4424 1 16 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.352 0.012 18374 4425 1 16 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.281 0.627 18374 4426 1 16 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.184 -0.315 18374 4427 1 16 . 1 1 12 12 GLY N N 12 108.951 108.951 107.119 1.832 18374 4428 1 16 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.686 0.535 18374 4429 1 16 . 1 1 12 12 GLY H H 12 8.501 8.501 8.090 0.411 18374 4430 1 16 . 1 1 13 13 ALA N N 13 123.134 123.134 122.674 0.460 18374 4431 1 16 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.450 -0.216 18374 4432 1 16 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.836 0.273 18374 4433 1 16 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.283 0.242 18374 4434 1 16 . 1 1 13 13 ALA H H 13 7.957 7.957 7.968 -0.011 18374 4435 1 16 . 1 1 14 14 ARG N N 14 116.759 116.759 124.076 -7.317 18374 4436 1 16 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.556 -0.437 18374 4437 1 16 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.316 -1.506 18374 4438 1 16 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.051 -1.598 18374 4439 1 16 . 1 1 14 14 ARG H H 14 7.990 7.990 8.357 -0.367 18374 4440 1 16 . 1 1 15 15 CYS N N 15 123.688 123.688 126.695 -3.007 18374 4441 1 16 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.907 -0.890 18374 4442 1 16 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.557 0.553 18374 4443 1 16 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.088 3.969 18374 4444 1 16 . 1 1 15 15 CYS H H 15 7.646 7.646 8.522 -0.876 18374 4445 1 16 . 1 1 16 16 GLY N N 16 117.749 117.749 116.693 1.056 18374 4446 1 16 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.296 -0.511 18374 4447 1 16 . 1 1 16 16 GLY H H 16 8.916 8.916 9.109 -0.193 18374 4448 1 16 . 1 1 17 17 VAL N N 17 122.602 122.602 120.742 1.860 18374 4449 1 16 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.947 0.067 18374 4450 1 16 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.767 0.264 18374 4451 1 16 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.126 0.714 18374 4452 1 16 . 1 1 17 17 VAL H H 17 8.856 8.856 7.944 0.912 18374 4453 1 16 . 1 1 18 18 CYS N N 18 115.430 115.430 117.059 -1.629 18374 4454 1 16 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.764 0.162 18374 4455 1 16 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.504 -1.325 18374 4456 1 16 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.756 1.855 18374 4457 1 16 . 1 1 18 18 CYS H H 18 7.758 7.758 8.009 -0.251 18374 4458 1 16 . 1 1 19 19 GLY N N 19 113.040 113.040 109.781 3.259 18374 4459 1 16 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.216 1.141 18374 4460 1 16 . 1 1 19 19 GLY H H 19 8.029 8.029 8.690 -0.661 18374 4461 1 16 . 1 1 20 20 ASP N N 20 123.399 123.399 119.285 4.114 18374 4462 1 16 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.878 0.129 18374 4463 1 16 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.139 0.375 18374 4464 1 16 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.994 0.548 18374 4465 1 16 . 1 1 20 20 ASP H H 20 8.722 8.722 7.538 1.184 18374 4466 1 16 . 1 1 21 21 GLY N N 21 111.371 111.371 110.303 1.068 18374 4467 1 16 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.413 0.694 18374 4468 1 16 . 1 1 21 21 GLY H H 21 8.667 8.667 8.592 0.075 18374 4469 1 16 . 1 1 22 22 THR N N 22 118.220 118.220 118.911 -0.691 18374 4470 1 16 . 1 1 22 22 THR HA H 22 3.979 3.979 4.313 -0.334 18374 4471 1 16 . 1 1 22 22 THR CA C 22 64.367 64.367 63.825 0.541 18374 4472 1 16 . 1 1 22 22 THR CB C 22 67.783 67.783 69.365 -1.582 18374 4473 1 16 . 1 1 22 22 THR H H 22 8.784 8.784 8.554 0.230 18374 4474 1 16 . 1 1 23 23 ASP N N 23 127.251 127.251 123.638 3.613 18374 4475 1 16 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.205 0.096 18374 4476 1 16 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.432 -0.005 18374 4477 1 16 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.910 -0.870 18374 4478 1 16 . 1 1 23 23 ASP H H 23 9.376 9.376 8.912 0.464 18374 4479 1 16 . 1 1 24 24 VAL N N 24 111.371 111.371 117.980 -6.609 18374 4480 1 16 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.269 -0.709 18374 4481 1 16 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.685 0.031 18374 4482 1 16 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.305 -1.013 18374 4483 1 16 . 1 1 24 24 VAL H H 24 7.402 7.402 7.832 -0.430 18374 4484 1 16 . 1 1 25 25 LEU N N 25 123.908 123.908 129.280 -5.372 18374 4485 1 16 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.463 -0.124 18374 4486 1 16 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.862 -1.340 18374 4487 1 16 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.956 -0.513 18374 4488 1 16 . 1 1 25 25 LEU H H 25 8.328 8.328 8.629 -0.301 18374 4489 1 16 . 1 1 26 26 ARG N N 26 116.626 116.626 121.728 -5.102 18374 4490 1 16 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.113 -0.012 18374 4491 1 16 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.498 -1.843 18374 4492 1 16 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.788 -0.120 18374 4493 1 16 . 1 1 26 26 ARG H H 26 7.877 7.877 8.165 -0.288 18374 4494 1 16 . 1 1 27 27 CYS N N 27 126.328 126.328 125.837 0.491 18374 4495 1 16 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.877 -0.562 18374 4496 1 16 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.709 1.689 18374 4497 1 16 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.619 2.048 18374 4498 1 16 . 1 1 27 27 CYS H H 27 9.182 9.182 8.281 0.901 18374 4499 1 16 . 1 1 28 28 THR N N 28 122.470 122.470 121.201 1.269 18374 4500 1 16 . 1 1 28 28 THR HA H 28 4.166 4.166 4.401 -0.235 18374 4501 1 16 . 1 1 28 28 THR CA C 28 64.686 64.686 63.644 1.042 18374 4502 1 16 . 1 1 28 28 THR CB C 28 69.846 69.846 69.329 0.517 18374 4503 1 16 . 1 1 28 28 THR H H 28 8.956 8.956 9.105 -0.149 18374 4504 1 16 . 1 1 29 29 HIS N N 29 123.908 123.908 119.165 4.743 18374 4505 1 16 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.664 0.245 18374 4506 1 16 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.978 1.126 18374 4507 1 16 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.233 -0.688 18374 4508 1 16 . 1 1 29 29 HIS H H 29 9.464 9.464 8.395 1.069 18374 4509 1 16 . 1 1 30 30 CYS N N 30 119.946 119.946 115.220 4.726 18374 4510 1 16 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.765 0.046 18374 4511 1 16 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.723 2.367 18374 4512 1 16 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.703 2.195 18374 4513 1 16 . 1 1 30 30 CYS H H 30 8.710 8.710 7.759 0.951 18374 4514 1 16 . 1 1 31 31 ALA N N 31 120.477 120.477 124.698 -4.221 18374 4515 1 16 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.502 -0.218 18374 4516 1 16 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.807 2.683 18374 4517 1 16 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.955 -1.537 18374 4518 1 16 . 1 1 31 31 ALA H H 31 7.626 7.626 8.321 -0.695 18374 4519 1 16 . 1 1 32 32 ALA N N 32 125.524 125.524 125.287 0.237 18374 4520 1 16 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.551 -0.305 18374 4521 1 16 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.248 1.593 18374 4522 1 16 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.344 -2.010 18374 4523 1 16 . 1 1 32 32 ALA H H 32 9.152 9.152 8.329 0.823 18374 4524 1 16 . 1 1 33 33 ALA N N 33 123.257 123.257 125.053 -1.796 18374 4525 1 16 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.574 -0.164 18374 4526 1 16 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.267 -0.461 18374 4527 1 16 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.531 -0.903 18374 4528 1 16 . 1 1 33 33 ALA H H 33 8.490 8.490 8.621 -0.131 18374 4529 1 16 . 1 1 34 34 PHE N N 34 118.220 118.220 120.331 -2.111 18374 4530 1 16 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.862 0.212 18374 4531 1 16 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.492 -0.730 18374 4532 1 16 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.098 -1.876 18374 4533 1 16 . 1 1 34 34 PHE H H 34 8.948 8.948 8.367 0.581 18374 4534 1 16 . 1 1 35 35 HIS N N 35 116.759 116.759 120.467 -3.708 18374 4535 1 16 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.905 -0.019 18374 4536 1 16 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.632 1.506 18374 4537 1 16 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.592 0.431 18374 4538 1 16 . 1 1 35 35 HIS H H 35 7.932 7.932 8.055 -0.123 18374 4539 1 16 . 1 1 36 36 TRP N N 36 127.649 127.649 126.213 1.436 18374 4540 1 16 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.576 -0.138 18374 4541 1 16 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.102 0.271 18374 4542 1 16 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.783 -0.459 18374 4543 1 16 . 1 1 36 36 TRP H H 36 9.421 9.421 9.164 0.257 18374 4544 1 16 . 1 1 37 37 ARG N N 37 113.040 113.040 116.478 -3.438 18374 4545 1 16 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.389 0.015 18374 4546 1 16 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.651 -1.177 18374 4547 1 16 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.775 -0.608 18374 4548 1 16 . 1 1 37 37 ARG H H 37 9.075 9.075 8.674 0.401 18374 4549 1 16 . 1 1 38 38 CYS N N 38 116.493 116.493 115.207 1.286 18374 4550 1 16 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.533 -0.315 18374 4551 1 16 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.929 2.530 18374 4552 1 16 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.994 2.683 18374 4553 1 16 . 1 1 38 38 CYS H H 38 7.169 7.169 8.035 -0.866 18374 4554 1 16 . 1 1 39 39 HIS N N 39 118.220 118.220 116.406 1.814 18374 4555 1 16 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.422 -0.199 18374 4556 1 16 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.559 0.917 18374 4557 1 16 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.492 2.848 18374 4558 1 16 . 1 1 39 39 HIS H H 39 7.562 7.562 7.668 -0.106 18374 4559 1 16 . 1 1 40 40 PHE N N 40 117.157 117.157 117.327 -0.170 18374 4560 1 16 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.710 0.073 18374 4561 1 16 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.116 -2.457 18374 4562 1 16 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.240 -1.433 18374 4563 1 16 . 1 1 40 40 PHE H H 40 8.282 8.282 8.272 0.010 18374 4564 1 16 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.485 0.002 18374 4565 1 16 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.670 0.548 18374 4566 1 16 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.587 -0.371 18374 4567 1 16 . 1 1 42 42 ALA N N 42 123.001 123.001 125.204 -2.203 18374 4568 1 16 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.316 0.042 18374 4569 1 16 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.937 -0.924 18374 4570 1 16 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.871 -0.230 18374 4571 1 16 . 1 1 42 42 ALA H H 42 8.635 8.635 8.561 0.074 18374 4572 1 16 . 1 1 43 43 GLY N N 43 108.291 108.291 105.468 2.823 18374 4573 1 16 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.419 0.048 18374 4574 1 16 . 1 1 43 43 GLY H H 43 8.529 8.529 8.300 0.229 18374 4575 1 16 . 1 1 44 44 THR N N 44 113.961 113.961 118.239 -4.278 18374 4576 1 16 . 1 1 44 44 THR HA H 44 4.424 4.424 4.507 -0.083 18374 4577 1 16 . 1 1 44 44 THR CA C 44 62.074 62.074 63.044 -0.970 18374 4578 1 16 . 1 1 44 44 THR CB C 44 70.259 70.259 69.997 0.262 18374 4579 1 16 . 1 1 44 44 THR H H 44 7.971 7.971 7.796 0.175 18374 4580 1 16 . 1 1 45 45 SER N N 45 120.467 120.467 120.113 0.354 18374 4581 1 16 . 1 1 45 45 SER HA H 45 4.280 4.280 4.397 -0.117 18374 4582 1 16 . 1 1 45 45 SER CA C 45 58.274 58.274 57.629 0.645 18374 4583 1 16 . 1 1 45 45 SER CB C 45 63.906 63.906 64.159 -0.254 18374 4584 1 16 . 1 1 45 45 SER H H 45 8.644 8.644 8.638 0.006 18374 4585 1 16 . 1 1 46 46 ARG N N 46 124.196 124.196 127.029 -2.833 18374 4586 1 16 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.082 0.838 18374 4587 1 16 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.486 -0.334 18374 4588 1 16 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.094 -0.192 18374 4589 1 16 . 1 1 46 46 ARG H H 46 8.197 8.197 8.103 0.094 18374 4590 1 16 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.432 -0.134 18374 4591 1 16 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.278 0.540 18374 4592 1 16 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.276 -0.090 18374 4593 1 16 . 1 1 48 48 GLY N N 48 108.071 108.071 107.788 0.283 18374 4594 1 16 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.288 0.391 18374 4595 1 16 . 1 1 48 48 GLY H H 48 8.492 8.492 8.435 0.057 18374 4596 1 16 . 1 1 49 49 THR N N 49 111.151 111.151 111.879 -0.728 18374 4597 1 16 . 1 1 49 49 THR HA H 49 4.377 4.377 4.472 -0.095 18374 4598 1 16 . 1 1 49 49 THR CA C 49 60.690 60.690 60.616 0.074 18374 4599 1 16 . 1 1 49 49 THR CB C 49 70.332 70.332 69.167 1.165 18374 4600 1 16 . 1 1 49 49 THR H H 49 7.669 7.669 7.651 0.018 18374 4601 1 16 . 1 1 50 50 GLY N N 50 110.491 110.491 109.326 1.165 18374 4602 1 16 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.591 1.590 18374 4603 1 16 . 1 1 50 50 GLY H H 50 8.459 8.459 7.856 0.603 18374 4604 1 16 . 1 1 51 51 LEU N N 51 121.407 121.407 121.579 -0.172 18374 4605 1 16 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.478 -0.196 18374 4606 1 16 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.240 1.128 18374 4607 1 16 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.292 0.527 18374 4608 1 16 . 1 1 51 51 LEU H H 51 8.248 8.248 8.318 -0.070 18374 4609 1 16 . 1 1 52 52 ARG N N 52 124.997 124.997 125.873 -0.876 18374 4610 1 16 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.825 1.022 18374 4611 1 16 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.774 -0.643 18374 4612 1 16 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.291 1.694 18374 4613 1 16 . 1 1 52 52 ARG H H 52 8.639 8.639 8.415 0.224 18374 4614 1 16 . 1 1 53 53 CYS N N 53 120.743 120.743 120.563 0.180 18374 4615 1 16 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.445 -0.952 18374 4616 1 16 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.672 -0.468 18374 4617 1 16 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.814 0.964 18374 4618 1 16 . 1 1 53 53 CYS H H 53 8.933 8.933 8.665 0.268 18374 4619 1 16 . 1 1 54 54 ARG N N 54 121.407 121.407 120.822 0.585 18374 4620 1 16 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.011 -0.201 18374 4621 1 16 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.874 0.513 18374 4622 1 16 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.562 -0.679 18374 4623 1 16 . 1 1 54 54 ARG H H 54 10.380 10.380 8.443 1.937 18374 4624 1 16 . 1 1 55 55 SER N N 55 117.300 117.300 114.199 3.101 18374 4625 1 16 . 1 1 55 55 SER HA H 55 4.258 4.258 4.343 -0.085 18374 4626 1 16 . 1 1 55 55 SER CA C 55 61.216 61.216 61.163 0.053 18374 4627 1 16 . 1 1 55 55 SER CB C 55 62.830 62.830 62.967 -0.137 18374 4628 1 16 . 1 1 55 55 SER H H 55 8.228 8.228 8.265 -0.037 18374 4629 1 16 . 1 1 56 56 CYS N N 56 122.602 122.602 120.097 2.505 18374 4630 1 16 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.295 -0.109 18374 4631 1 16 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.114 0.128 18374 4632 1 16 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.810 4.106 18374 4633 1 16 . 1 1 56 56 CYS H H 56 7.999 7.999 7.783 0.216 18374 4634 1 16 . 1 1 57 57 SER N N 57 115.430 115.430 114.285 1.145 18374 4635 1 16 . 1 1 57 57 SER HA H 57 4.266 4.266 4.465 -0.199 18374 4636 1 16 . 1 1 57 57 SER CA C 57 59.992 59.992 58.618 1.374 18374 4637 1 16 . 1 1 57 57 SER CB C 57 63.492 63.492 63.318 0.174 18374 4638 1 16 . 1 1 57 57 SER H H 57 7.938 7.938 7.870 0.068 18374 4639 1 16 . 1 1 58 58 GLY N N 58 109.391 109.391 109.653 -0.262 18374 4640 1 16 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.714 0.712 18374 4641 1 16 . 1 1 58 58 GLY H H 58 8.013 8.013 7.397 0.616 18374 4642 1 16 . 1 1 59 59 ASP N N 59 120.345 120.345 124.921 -4.576 18374 4643 1 16 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.689 -0.098 18374 4644 1 16 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.522 0.770 18374 4645 1 16 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.359 -0.276 18374 4646 1 16 . 1 1 59 59 ASP H H 59 8.130 8.130 8.518 -0.388 18374 4647 1 16 . 1 1 60 60 VAL N N 60 119.548 119.548 126.469 -6.921 18374 4648 1 16 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.364 -0.206 18374 4649 1 16 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.737 0.178 18374 4650 1 16 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.248 -0.733 18374 4651 1 16 . 1 1 60 60 VAL H H 60 8.072 8.072 8.336 -0.264 18374 4652 1 16 . 1 1 61 61 THR N N 61 121.407 121.407 123.689 -2.282 18374 4653 1 16 . 1 1 61 61 THR HA H 61 4.509 4.509 4.575 -0.066 18374 4654 1 16 . 1 1 61 61 THR CA C 61 59.848 59.848 60.252 -0.404 18374 4655 1 16 . 1 1 61 61 THR CB C 61 69.602 69.602 68.690 0.912 18374 4656 1 16 . 1 1 61 61 THR H H 61 8.335 8.335 8.186 0.149 18374 4657 1 16 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.432 -0.070 18374 4658 1 16 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.942 -0.039 18374 4659 1 16 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.443 -0.494 18374 4660 1 16 . 1 1 63 63 ALA N N 63 125.923 125.923 127.689 -1.766 18374 4661 1 16 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.469 0.069 18374 4662 1 16 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.986 -0.718 18374 4663 1 16 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.471 -0.771 18374 4664 1 16 . 1 1 63 63 ALA H H 63 8.368 8.368 8.410 -0.042 18374 4665 1 16 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.368 0.042 18374 4666 1 16 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.055 -0.158 18374 4667 1 16 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.589 -0.665 18374 4668 1 16 . 1 1 65 65 VAL N N 65 120.526 120.526 121.870 -1.344 18374 4669 1 16 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.116 -0.043 18374 4670 1 16 . 1 1 65 65 VAL CA C 65 62.326 62.326 64.374 -2.048 18374 4671 1 16 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.352 -0.272 18374 4672 1 16 . 1 1 65 65 VAL H H 65 8.270 8.270 8.500 -0.230 18374 4673 1 17 . 1 1 2 2 ALA N N 2 123.688 123.688 127.870 -4.182 18374 4674 1 17 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.742 -0.444 18374 4675 1 17 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.078 0.632 18374 4676 1 17 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.657 -0.422 18374 4677 1 17 . 1 1 2 2 ALA H H 2 8.653 8.653 8.272 0.381 18374 4678 1 17 . 1 1 3 3 MET N N 3 119.289 119.289 117.840 1.449 18374 4679 1 17 . 1 1 3 3 MET HA H 3 4.426 4.426 4.330 0.096 18374 4680 1 17 . 1 1 3 3 MET CA C 3 55.430 55.430 57.597 -2.167 18374 4681 1 17 . 1 1 3 3 MET CB C 3 32.532 32.532 32.373 0.160 18374 4682 1 17 . 1 1 3 3 MET H H 3 8.545 8.545 8.325 0.220 18374 4683 1 17 . 1 1 4 4 GLU N N 4 122.149 122.149 119.296 2.853 18374 4684 1 17 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.261 -0.017 18374 4685 1 17 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.286 -0.255 18374 4686 1 17 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.497 0.509 18374 4687 1 17 . 1 1 4 4 GLU H H 4 8.440 8.440 8.649 -0.209 18374 4688 1 17 . 1 1 5 5 GLY N N 5 110.051 110.051 106.428 3.623 18374 4689 1 17 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.494 0.914 18374 4690 1 17 . 1 1 5 5 GLY H H 5 8.500 8.500 7.667 0.833 18374 4691 1 17 . 1 1 6 6 GLN N N 6 119.509 119.509 119.257 0.252 18374 4692 1 17 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.247 0.039 18374 4693 1 17 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.315 -1.315 18374 4694 1 17 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.507 -0.299 18374 4695 1 17 . 1 1 6 6 GLN H H 6 8.242 8.242 7.647 0.595 18374 4696 1 17 . 1 1 7 7 GLN N N 7 121.049 121.049 118.988 2.061 18374 4697 1 17 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.473 -0.212 18374 4698 1 17 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.695 0.409 18374 4699 1 17 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.968 0.236 18374 4700 1 17 . 1 1 7 7 GLN H H 7 8.534 8.534 8.067 0.467 18374 4701 1 17 . 1 1 8 8 ASN N N 8 119.289 119.289 119.953 -0.664 18374 4702 1 17 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.867 -0.222 18374 4703 1 17 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.854 0.253 18374 4704 1 17 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.924 -1.405 18374 4705 1 17 . 1 1 8 8 ASN H H 8 8.486 8.486 8.345 0.141 18374 4706 1 17 . 1 1 9 9 LEU N N 9 122.204 122.204 125.288 -3.084 18374 4707 1 17 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.346 -0.055 18374 4708 1 17 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.543 0.173 18374 4709 1 17 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.701 1.696 18374 4710 1 17 . 1 1 9 9 LEU H H 9 8.145 8.145 8.591 -0.446 18374 4711 1 17 . 1 1 10 10 ALA N N 10 126.188 126.188 127.923 -1.735 18374 4712 1 17 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.466 0.066 18374 4713 1 17 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.751 -0.414 18374 4714 1 17 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.888 -1.095 18374 4715 1 17 . 1 1 10 10 ALA H H 10 8.324 8.324 7.932 0.392 18374 4716 1 17 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.407 -0.043 18374 4717 1 17 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.379 0.529 18374 4718 1 17 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.990 1.879 18374 4719 1 17 . 1 1 12 12 GLY N N 12 108.951 108.951 107.916 1.035 18374 4720 1 17 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.486 -0.265 18374 4721 1 17 . 1 1 12 12 GLY H H 12 8.501 8.501 8.202 0.299 18374 4722 1 17 . 1 1 13 13 ALA N N 13 123.134 123.134 125.374 -2.240 18374 4723 1 17 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.324 -0.090 18374 4724 1 17 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.983 0.126 18374 4725 1 17 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.233 2.292 18374 4726 1 17 . 1 1 13 13 ALA H H 13 7.957 7.957 8.461 -0.504 18374 4727 1 17 . 1 1 14 14 ARG N N 14 116.759 116.759 118.073 -1.314 18374 4728 1 17 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.567 -0.448 18374 4729 1 17 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.304 -0.494 18374 4730 1 17 . 1 1 14 14 ARG CB C 14 32.453 32.453 32.093 0.360 18374 4731 1 17 . 1 1 14 14 ARG H H 14 7.990 7.990 8.002 -0.012 18374 4732 1 17 . 1 1 15 15 CYS N N 15 123.688 123.688 122.633 1.055 18374 4733 1 17 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.522 -0.505 18374 4734 1 17 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.821 -0.711 18374 4735 1 17 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.777 4.280 18374 4736 1 17 . 1 1 15 15 CYS H H 15 7.646 7.646 8.469 -0.823 18374 4737 1 17 . 1 1 16 16 GLY N N 16 117.749 117.749 116.477 1.272 18374 4738 1 17 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.124 -0.339 18374 4739 1 17 . 1 1 16 16 GLY H H 16 8.916 8.916 9.072 -0.156 18374 4740 1 17 . 1 1 17 17 VAL N N 17 122.602 122.602 120.181 2.421 18374 4741 1 17 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.027 -0.013 18374 4742 1 17 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.378 0.653 18374 4743 1 17 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.017 0.823 18374 4744 1 17 . 1 1 17 17 VAL H H 17 8.856 8.856 7.845 1.011 18374 4745 1 17 . 1 1 18 18 CYS N N 18 115.430 115.430 117.062 -1.632 18374 4746 1 17 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.736 0.190 18374 4747 1 17 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.213 -1.034 18374 4748 1 17 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.088 1.523 18374 4749 1 17 . 1 1 18 18 CYS H H 18 7.758 7.758 7.949 -0.191 18374 4750 1 17 . 1 1 19 19 GLY N N 19 113.040 113.040 110.118 2.922 18374 4751 1 17 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.556 0.801 18374 4752 1 17 . 1 1 19 19 GLY H H 19 8.029 8.029 8.763 -0.734 18374 4753 1 17 . 1 1 20 20 ASP N N 20 123.399 123.399 118.960 4.439 18374 4754 1 17 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.907 0.101 18374 4755 1 17 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.778 0.736 18374 4756 1 17 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.701 0.841 18374 4757 1 17 . 1 1 20 20 ASP H H 20 8.722 8.722 7.426 1.296 18374 4758 1 17 . 1 1 21 21 GLY N N 21 111.371 111.371 110.029 1.342 18374 4759 1 17 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.881 0.226 18374 4760 1 17 . 1 1 21 21 GLY H H 21 8.667 8.667 8.450 0.217 18374 4761 1 17 . 1 1 22 22 THR N N 22 118.220 118.220 116.273 1.947 18374 4762 1 17 . 1 1 22 22 THR HA H 22 3.979 3.979 4.290 -0.311 18374 4763 1 17 . 1 1 22 22 THR CA C 22 64.367 64.367 63.500 0.867 18374 4764 1 17 . 1 1 22 22 THR CB C 22 67.783 67.783 69.298 -1.515 18374 4765 1 17 . 1 1 22 22 THR H H 22 8.784 8.784 7.929 0.855 18374 4766 1 17 . 1 1 23 23 ASP N N 23 127.251 127.251 124.157 3.094 18374 4767 1 17 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.308 -0.007 18374 4768 1 17 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.102 0.325 18374 4769 1 17 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.757 -1.718 18374 4770 1 17 . 1 1 23 23 ASP H H 23 9.376 9.376 8.832 0.544 18374 4771 1 17 . 1 1 24 24 VAL N N 24 111.371 111.371 117.292 -5.921 18374 4772 1 17 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.400 -0.840 18374 4773 1 17 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.886 0.830 18374 4774 1 17 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.165 -0.873 18374 4775 1 17 . 1 1 24 24 VAL H H 24 7.402 7.402 7.771 -0.369 18374 4776 1 17 . 1 1 25 25 LEU N N 25 123.908 123.908 127.294 -3.386 18374 4777 1 17 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.574 -0.235 18374 4778 1 17 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.711 -1.189 18374 4779 1 17 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.496 -1.054 18374 4780 1 17 . 1 1 25 25 LEU H H 25 8.328 8.328 8.819 -0.491 18374 4781 1 17 . 1 1 26 26 ARG N N 26 116.626 116.626 118.930 -2.304 18374 4782 1 17 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.091 0.010 18374 4783 1 17 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.497 -0.842 18374 4784 1 17 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.631 0.037 18374 4785 1 17 . 1 1 26 26 ARG H H 26 7.877 7.877 8.029 -0.152 18374 4786 1 17 . 1 1 27 27 CYS N N 27 126.328 126.328 122.808 3.520 18374 4787 1 17 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.880 -0.565 18374 4788 1 17 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.616 1.782 18374 4789 1 17 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.640 2.027 18374 4790 1 17 . 1 1 27 27 CYS H H 27 9.182 9.182 8.449 0.733 18374 4791 1 17 . 1 1 28 28 THR N N 28 122.470 122.470 120.631 1.839 18374 4792 1 17 . 1 1 28 28 THR HA H 28 4.166 4.166 4.280 -0.114 18374 4793 1 17 . 1 1 28 28 THR CA C 28 64.686 64.686 64.512 0.174 18374 4794 1 17 . 1 1 28 28 THR CB C 28 69.846 69.846 69.137 0.709 18374 4795 1 17 . 1 1 28 28 THR H H 28 8.956 8.956 8.936 0.020 18374 4796 1 17 . 1 1 29 29 HIS N N 29 123.908 123.908 119.118 4.790 18374 4797 1 17 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.628 0.281 18374 4798 1 17 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.028 1.077 18374 4799 1 17 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.010 -0.465 18374 4800 1 17 . 1 1 29 29 HIS H H 29 9.464 9.464 8.559 0.905 18374 4801 1 17 . 1 1 30 30 CYS N N 30 119.946 119.946 115.078 4.868 18374 4802 1 17 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.896 -0.085 18374 4803 1 17 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.079 3.011 18374 4804 1 17 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.932 1.966 18374 4805 1 17 . 1 1 30 30 CYS H H 30 8.710 8.710 7.769 0.941 18374 4806 1 17 . 1 1 31 31 ALA N N 31 120.477 120.477 124.160 -3.683 18374 4807 1 17 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.559 -0.275 18374 4808 1 17 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.868 2.622 18374 4809 1 17 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.866 -1.448 18374 4810 1 17 . 1 1 31 31 ALA H H 31 7.626 7.626 8.501 -0.875 18374 4811 1 17 . 1 1 32 32 ALA N N 32 125.524 125.524 126.652 -1.128 18374 4812 1 17 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.536 -0.290 18374 4813 1 17 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.723 1.117 18374 4814 1 17 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.253 -0.919 18374 4815 1 17 . 1 1 32 32 ALA H H 32 9.152 9.152 8.423 0.729 18374 4816 1 17 . 1 1 33 33 ALA N N 33 123.257 123.257 127.950 -4.693 18374 4817 1 17 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.622 -0.212 18374 4818 1 17 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.395 -0.590 18374 4819 1 17 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.533 0.095 18374 4820 1 17 . 1 1 33 33 ALA H H 33 8.490 8.490 8.504 -0.014 18374 4821 1 17 . 1 1 34 34 PHE N N 34 118.220 118.220 119.592 -1.372 18374 4822 1 17 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.902 0.172 18374 4823 1 17 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.341 -0.579 18374 4824 1 17 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.166 -1.944 18374 4825 1 17 . 1 1 34 34 PHE H H 34 8.948 8.948 8.312 0.636 18374 4826 1 17 . 1 1 35 35 HIS N N 35 116.759 116.759 120.483 -3.724 18374 4827 1 17 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.953 -0.067 18374 4828 1 17 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.551 1.587 18374 4829 1 17 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.771 0.252 18374 4830 1 17 . 1 1 35 35 HIS H H 35 7.932 7.932 8.307 -0.375 18374 4831 1 17 . 1 1 36 36 TRP N N 36 127.649 127.649 127.264 0.385 18374 4832 1 17 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.623 -0.185 18374 4833 1 17 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.068 0.305 18374 4834 1 17 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.864 -0.540 18374 4835 1 17 . 1 1 36 36 TRP H H 36 9.421 9.421 9.135 0.286 18374 4836 1 17 . 1 1 37 37 ARG N N 37 113.040 113.040 116.386 -3.346 18374 4837 1 17 . 1 1 37 37 ARG HA H 37 4.404 4.404 3.933 0.471 18374 4838 1 17 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.956 -1.484 18374 4839 1 17 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.683 -0.516 18374 4840 1 17 . 1 1 37 37 ARG H H 37 9.075 9.075 8.494 0.581 18374 4841 1 17 . 1 1 38 38 CYS N N 38 116.493 116.493 115.204 1.289 18374 4842 1 17 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.483 -0.265 18374 4843 1 17 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.715 1.744 18374 4844 1 17 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.599 3.077 18374 4845 1 17 . 1 1 38 38 CYS H H 38 7.169 7.169 7.931 -0.762 18374 4846 1 17 . 1 1 39 39 HIS N N 39 118.220 118.220 116.836 1.384 18374 4847 1 17 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.494 -0.271 18374 4848 1 17 . 1 1 39 39 HIS CA C 39 58.476 58.476 58.801 -0.325 18374 4849 1 17 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.738 3.602 18374 4850 1 17 . 1 1 39 39 HIS H H 39 7.562 7.562 7.765 -0.203 18374 4851 1 17 . 1 1 40 40 PHE N N 40 117.157 117.157 117.492 -0.335 18374 4852 1 17 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.851 -0.068 18374 4853 1 17 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.643 -1.984 18374 4854 1 17 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.546 0.261 18374 4855 1 17 . 1 1 40 40 PHE H H 40 8.282 8.282 8.226 0.056 18374 4856 1 17 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.522 -0.035 18374 4857 1 17 . 1 1 41 41 PRO CA C 41 63.219 63.219 64.471 -1.252 18374 4858 1 17 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.084 0.131 18374 4859 1 17 . 1 1 42 42 ALA N N 42 123.001 123.001 121.679 1.322 18374 4860 1 17 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.327 0.031 18374 4861 1 17 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.640 -0.627 18374 4862 1 17 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.749 -0.108 18374 4863 1 17 . 1 1 42 42 ALA H H 42 8.635 8.635 8.165 0.470 18374 4864 1 17 . 1 1 43 43 GLY N N 43 108.291 108.291 108.515 -0.224 18374 4865 1 17 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.324 1.143 18374 4866 1 17 . 1 1 43 43 GLY H H 43 8.529 8.529 8.437 0.092 18374 4867 1 17 . 1 1 44 44 THR N N 44 113.961 113.961 118.333 -4.372 18374 4868 1 17 . 1 1 44 44 THR HA H 44 4.424 4.424 4.308 0.116 18374 4869 1 17 . 1 1 44 44 THR CA C 44 62.074 62.074 63.450 -1.376 18374 4870 1 17 . 1 1 44 44 THR CB C 44 70.259 70.259 68.772 1.487 18374 4871 1 17 . 1 1 44 44 THR H H 44 7.971 7.971 7.677 0.294 18374 4872 1 17 . 1 1 45 45 SER N N 45 120.467 120.467 121.878 -1.411 18374 4873 1 17 . 1 1 45 45 SER HA H 45 4.280 4.280 4.687 -0.407 18374 4874 1 17 . 1 1 45 45 SER CA C 45 58.274 58.274 57.404 0.870 18374 4875 1 17 . 1 1 45 45 SER CB C 45 63.906 63.906 64.019 -0.113 18374 4876 1 17 . 1 1 45 45 SER H H 45 8.644 8.644 8.427 0.217 18374 4877 1 17 . 1 1 46 46 ARG N N 46 124.196 124.196 127.151 -2.955 18374 4878 1 17 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.359 0.561 18374 4879 1 17 . 1 1 46 46 ARG CA C 46 53.152 53.152 54.577 -1.425 18374 4880 1 17 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.922 -0.020 18374 4881 1 17 . 1 1 46 46 ARG H H 46 8.197 8.197 8.333 -0.136 18374 4882 1 17 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.445 -0.147 18374 4883 1 17 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.234 0.584 18374 4884 1 17 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.516 -0.330 18374 4885 1 17 . 1 1 48 48 GLY N N 48 108.071 108.071 109.484 -1.413 18374 4886 1 17 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.777 -0.098 18374 4887 1 17 . 1 1 48 48 GLY H H 48 8.492 8.492 8.599 -0.107 18374 4888 1 17 . 1 1 49 49 THR N N 49 111.151 111.151 113.845 -2.694 18374 4889 1 17 . 1 1 49 49 THR HA H 49 4.377 4.377 4.379 -0.002 18374 4890 1 17 . 1 1 49 49 THR CA C 49 60.690 60.690 60.768 -0.078 18374 4891 1 17 . 1 1 49 49 THR CB C 49 70.332 70.332 68.125 2.207 18374 4892 1 17 . 1 1 49 49 THR H H 49 7.669 7.669 7.650 0.019 18374 4893 1 17 . 1 1 50 50 GLY N N 50 110.491 110.491 108.533 1.958 18374 4894 1 17 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.494 1.687 18374 4895 1 17 . 1 1 50 50 GLY H H 50 8.459 8.459 7.257 1.202 18374 4896 1 17 . 1 1 51 51 LEU N N 51 121.407 121.407 122.695 -1.288 18374 4897 1 17 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.263 0.019 18374 4898 1 17 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.033 1.335 18374 4899 1 17 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.133 0.686 18374 4900 1 17 . 1 1 51 51 LEU H H 51 8.248 8.248 8.400 -0.152 18374 4901 1 17 . 1 1 52 52 ARG N N 52 124.997 124.997 125.143 -0.146 18374 4902 1 17 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.875 0.972 18374 4903 1 17 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.654 -0.522 18374 4904 1 17 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.800 2.185 18374 4905 1 17 . 1 1 52 52 ARG H H 52 8.639 8.639 8.323 0.316 18374 4906 1 17 . 1 1 53 53 CYS N N 53 120.743 120.743 122.101 -1.358 18374 4907 1 17 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.698 -1.205 18374 4908 1 17 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.398 -0.195 18374 4909 1 17 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.748 1.031 18374 4910 1 17 . 1 1 53 53 CYS H H 53 8.933 8.933 8.651 0.282 18374 4911 1 17 . 1 1 54 54 ARG N N 54 121.407 121.407 121.009 0.398 18374 4912 1 17 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.188 -0.378 18374 4913 1 17 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.187 0.200 18374 4914 1 17 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.491 -0.608 18374 4915 1 17 . 1 1 54 54 ARG H H 54 10.380 10.380 8.643 1.737 18374 4916 1 17 . 1 1 55 55 SER N N 55 117.300 117.300 113.339 3.961 18374 4917 1 17 . 1 1 55 55 SER HA H 55 4.258 4.258 4.378 -0.120 18374 4918 1 17 . 1 1 55 55 SER CA C 55 61.216 61.216 60.910 0.306 18374 4919 1 17 . 1 1 55 55 SER CB C 55 62.830 62.830 63.116 -0.286 18374 4920 1 17 . 1 1 55 55 SER H H 55 8.228 8.228 8.262 -0.034 18374 4921 1 17 . 1 1 56 56 CYS N N 56 122.602 122.602 120.434 2.168 18374 4922 1 17 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.373 -0.187 18374 4923 1 17 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.093 0.149 18374 4924 1 17 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.468 3.448 18374 4925 1 17 . 1 1 56 56 CYS H H 56 7.999 7.999 7.762 0.237 18374 4926 1 17 . 1 1 57 57 SER N N 57 115.430 115.430 115.714 -0.284 18374 4927 1 17 . 1 1 57 57 SER HA H 57 4.266 4.266 4.527 -0.261 18374 4928 1 17 . 1 1 57 57 SER CA C 57 59.992 59.992 60.040 -0.048 18374 4929 1 17 . 1 1 57 57 SER CB C 57 63.492 63.492 62.780 0.712 18374 4930 1 17 . 1 1 57 57 SER H H 57 7.938 7.938 8.226 -0.288 18374 4931 1 17 . 1 1 58 58 GLY N N 58 109.391 109.391 109.980 -0.589 18374 4932 1 17 . 1 1 58 58 GLY CA C 58 45.426 45.426 46.577 -1.151 18374 4933 1 17 . 1 1 58 58 GLY H H 58 8.013 8.013 7.770 0.243 18374 4934 1 17 . 1 1 59 59 ASP N N 59 120.345 120.345 119.714 0.631 18374 4935 1 17 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.674 -0.083 18374 4936 1 17 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.717 0.575 18374 4937 1 17 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.527 -0.444 18374 4938 1 17 . 1 1 59 59 ASP H H 59 8.130 8.130 7.737 0.393 18374 4939 1 17 . 1 1 60 60 VAL N N 60 119.548 119.548 122.077 -2.529 18374 4940 1 17 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.210 -0.052 18374 4941 1 17 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.963 -0.048 18374 4942 1 17 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.107 0.408 18374 4943 1 17 . 1 1 60 60 VAL H H 60 8.072 8.072 7.318 0.754 18374 4944 1 17 . 1 1 61 61 THR N N 61 121.407 121.407 125.231 -3.824 18374 4945 1 17 . 1 1 61 61 THR HA H 61 4.509 4.509 4.614 -0.105 18374 4946 1 17 . 1 1 61 61 THR CA C 61 59.848 59.848 60.046 -0.198 18374 4947 1 17 . 1 1 61 61 THR CB C 61 69.602 69.602 68.801 0.801 18374 4948 1 17 . 1 1 61 61 THR H H 61 8.335 8.335 8.271 0.064 18374 4949 1 17 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.418 -0.056 18374 4950 1 17 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.760 0.143 18374 4951 1 17 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.379 -0.430 18374 4952 1 17 . 1 1 63 63 ALA N N 63 125.923 125.923 128.054 -2.131 18374 4953 1 17 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.422 0.116 18374 4954 1 17 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.838 -0.570 18374 4955 1 17 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.227 -1.527 18374 4956 1 17 . 1 1 63 63 ALA H H 63 8.368 8.368 8.343 0.025 18374 4957 1 17 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.432 -0.022 18374 4958 1 17 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.718 0.179 18374 4959 1 17 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.939 1.985 18374 4960 1 17 . 1 1 65 65 VAL N N 65 120.526 120.526 121.394 -0.868 18374 4961 1 17 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.208 -0.135 18374 4962 1 17 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.404 0.922 18374 4963 1 17 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.274 -1.194 18374 4964 1 17 . 1 1 65 65 VAL H H 65 8.270 8.270 7.992 0.278 18374 4965 1 18 . 1 1 2 2 ALA N N 2 123.688 123.688 122.145 1.543 18374 4966 1 18 . 1 1 2 2 ALA HA H 2 4.298 4.298 3.927 0.371 18374 4967 1 18 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.363 0.347 18374 4968 1 18 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.704 0.531 18374 4969 1 18 . 1 1 2 2 ALA H H 2 8.653 8.653 8.397 0.256 18374 4970 1 18 . 1 1 3 3 MET N N 3 119.289 119.289 116.171 3.118 18374 4971 1 18 . 1 1 3 3 MET HA H 3 4.426 4.426 4.146 0.280 18374 4972 1 18 . 1 1 3 3 MET CA C 3 55.430 55.430 56.129 -0.699 18374 4973 1 18 . 1 1 3 3 MET CB C 3 32.532 32.532 31.527 1.005 18374 4974 1 18 . 1 1 3 3 MET H H 3 8.545 8.545 8.313 0.232 18374 4975 1 18 . 1 1 4 4 GLU N N 4 122.149 122.149 119.003 3.146 18374 4976 1 18 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.205 0.039 18374 4977 1 18 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.707 -0.676 18374 4978 1 18 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.700 0.306 18374 4979 1 18 . 1 1 4 4 GLU H H 4 8.440 8.440 8.374 0.066 18374 4980 1 18 . 1 1 5 5 GLY N N 5 110.051 110.051 108.309 1.742 18374 4981 1 18 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.306 1.102 18374 4982 1 18 . 1 1 5 5 GLY H H 5 8.500 8.500 8.038 0.462 18374 4983 1 18 . 1 1 6 6 GLN N N 6 119.509 119.509 119.425 0.084 18374 4984 1 18 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.087 0.199 18374 4985 1 18 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.870 -1.870 18374 4986 1 18 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.961 0.247 18374 4987 1 18 . 1 1 6 6 GLN H H 6 8.242 8.242 7.945 0.297 18374 4988 1 18 . 1 1 7 7 GLN N N 7 121.049 121.049 118.688 2.361 18374 4989 1 18 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.532 -0.271 18374 4990 1 18 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.903 1.201 18374 4991 1 18 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.090 0.114 18374 4992 1 18 . 1 1 7 7 GLN H H 7 8.534 8.534 8.337 0.197 18374 4993 1 18 . 1 1 8 8 ASN N N 8 119.289 119.289 123.159 -3.870 18374 4994 1 18 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.710 -0.065 18374 4995 1 18 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.316 -0.209 18374 4996 1 18 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.398 0.121 18374 4997 1 18 . 1 1 8 8 ASN H H 8 8.486 8.486 8.669 -0.183 18374 4998 1 18 . 1 1 9 9 LEU N N 9 122.204 122.204 123.712 -1.508 18374 4999 1 18 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.505 -0.214 18374 5000 1 18 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.976 -0.260 18374 5001 1 18 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.075 -0.678 18374 5002 1 18 . 1 1 9 9 LEU H H 9 8.145 8.145 7.795 0.350 18374 5003 1 18 . 1 1 10 10 ALA N N 10 126.188 126.188 129.904 -3.716 18374 5004 1 18 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.592 -0.060 18374 5005 1 18 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.696 -0.359 18374 5006 1 18 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.730 -0.937 18374 5007 1 18 . 1 1 10 10 ALA H H 10 8.324 8.324 8.387 -0.063 18374 5008 1 18 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.348 0.016 18374 5009 1 18 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.193 0.715 18374 5010 1 18 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.258 -0.389 18374 5011 1 18 . 1 1 12 12 GLY N N 12 108.951 108.951 105.943 3.008 18374 5012 1 18 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.928 0.292 18374 5013 1 18 . 1 1 12 12 GLY H H 12 8.501 8.501 8.520 -0.019 18374 5014 1 18 . 1 1 13 13 ALA N N 13 123.134 123.134 126.498 -3.364 18374 5015 1 18 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.613 -0.379 18374 5016 1 18 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.276 0.833 18374 5017 1 18 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.624 0.901 18374 5018 1 18 . 1 1 13 13 ALA H H 13 7.957 7.957 7.871 0.086 18374 5019 1 18 . 1 1 14 14 ARG N N 14 116.759 116.759 121.489 -4.730 18374 5020 1 18 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.533 -0.414 18374 5021 1 18 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.671 -1.861 18374 5022 1 18 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.878 -1.425 18374 5023 1 18 . 1 1 14 14 ARG H H 14 7.990 7.990 8.023 -0.033 18374 5024 1 18 . 1 1 15 15 CYS N N 15 123.688 123.688 126.716 -3.028 18374 5025 1 18 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.976 -0.959 18374 5026 1 18 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.697 1.413 18374 5027 1 18 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.213 3.844 18374 5028 1 18 . 1 1 15 15 CYS H H 15 7.646 7.646 8.513 -0.867 18374 5029 1 18 . 1 1 16 16 GLY N N 16 117.749 117.749 115.948 1.801 18374 5030 1 18 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.776 0.008 18374 5031 1 18 . 1 1 16 16 GLY H H 16 8.916 8.916 9.116 -0.200 18374 5032 1 18 . 1 1 17 17 VAL N N 17 122.602 122.602 119.924 2.678 18374 5033 1 18 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.003 0.011 18374 5034 1 18 . 1 1 17 17 VAL CA C 17 65.031 65.031 63.851 1.180 18374 5035 1 18 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.841 0.999 18374 5036 1 18 . 1 1 17 17 VAL H H 17 8.856 8.856 8.031 0.825 18374 5037 1 18 . 1 1 18 18 CYS N N 18 115.430 115.430 112.497 2.933 18374 5038 1 18 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.815 0.111 18374 5039 1 18 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.833 -0.654 18374 5040 1 18 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.067 0.544 18374 5041 1 18 . 1 1 18 18 CYS H H 18 7.758 7.758 7.857 -0.099 18374 5042 1 18 . 1 1 19 19 GLY N N 19 113.040 113.040 111.772 1.268 18374 5043 1 18 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.997 1.360 18374 5044 1 18 . 1 1 19 19 GLY H H 19 8.029 8.029 8.724 -0.695 18374 5045 1 18 . 1 1 20 20 ASP N N 20 123.399 123.399 120.856 2.543 18374 5046 1 18 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.912 0.096 18374 5047 1 18 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.783 0.730 18374 5048 1 18 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.203 1.339 18374 5049 1 18 . 1 1 20 20 ASP H H 20 8.722 8.722 7.728 0.994 18374 5050 1 18 . 1 1 21 21 GLY N N 21 111.371 111.371 109.016 2.355 18374 5051 1 18 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.595 0.512 18374 5052 1 18 . 1 1 21 21 GLY H H 21 8.667 8.667 8.537 0.130 18374 5053 1 18 . 1 1 22 22 THR N N 22 118.220 118.220 115.589 2.631 18374 5054 1 18 . 1 1 22 22 THR HA H 22 3.979 3.979 4.366 -0.387 18374 5055 1 18 . 1 1 22 22 THR CA C 22 64.367 64.367 62.543 1.824 18374 5056 1 18 . 1 1 22 22 THR CB C 22 67.783 67.783 69.503 -1.720 18374 5057 1 18 . 1 1 22 22 THR H H 22 8.784 8.784 7.960 0.824 18374 5058 1 18 . 1 1 23 23 ASP N N 23 127.251 127.251 125.044 2.207 18374 5059 1 18 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.336 -0.035 18374 5060 1 18 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.116 0.311 18374 5061 1 18 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.496 -1.457 18374 5062 1 18 . 1 1 23 23 ASP H H 23 9.376 9.376 8.788 0.588 18374 5063 1 18 . 1 1 24 24 VAL N N 24 111.371 111.371 117.917 -6.546 18374 5064 1 18 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.212 -0.652 18374 5065 1 18 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.408 0.308 18374 5066 1 18 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.660 -0.368 18374 5067 1 18 . 1 1 24 24 VAL H H 24 7.402 7.402 8.097 -0.695 18374 5068 1 18 . 1 1 25 25 LEU N N 25 123.908 123.908 129.001 -5.093 18374 5069 1 18 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.369 -0.030 18374 5070 1 18 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.537 -2.015 18374 5071 1 18 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.601 -0.159 18374 5072 1 18 . 1 1 25 25 LEU H H 25 8.328 8.328 8.651 -0.323 18374 5073 1 18 . 1 1 26 26 ARG N N 26 116.626 116.626 119.934 -3.308 18374 5074 1 18 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.290 -0.190 18374 5075 1 18 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.438 -0.783 18374 5076 1 18 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.090 0.578 18374 5077 1 18 . 1 1 26 26 ARG H H 26 7.877 7.877 8.008 -0.131 18374 5078 1 18 . 1 1 27 27 CYS N N 27 126.328 126.328 124.466 1.862 18374 5079 1 18 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.802 -0.487 18374 5080 1 18 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.352 1.046 18374 5081 1 18 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.770 1.897 18374 5082 1 18 . 1 1 27 27 CYS H H 27 9.182 9.182 8.372 0.810 18374 5083 1 18 . 1 1 28 28 THR N N 28 122.470 122.470 121.448 1.022 18374 5084 1 18 . 1 1 28 28 THR HA H 28 4.166 4.166 4.439 -0.273 18374 5085 1 18 . 1 1 28 28 THR CA C 28 64.686 64.686 64.122 0.564 18374 5086 1 18 . 1 1 28 28 THR CB C 28 69.846 69.846 69.147 0.699 18374 5087 1 18 . 1 1 28 28 THR H H 28 8.956 8.956 9.130 -0.174 18374 5088 1 18 . 1 1 29 29 HIS N N 29 123.908 123.908 119.219 4.689 18374 5089 1 18 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.613 0.296 18374 5090 1 18 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.147 0.957 18374 5091 1 18 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.037 -0.492 18374 5092 1 18 . 1 1 29 29 HIS H H 29 9.464 9.464 8.435 1.029 18374 5093 1 18 . 1 1 30 30 CYS N N 30 119.946 119.946 114.809 5.137 18374 5094 1 18 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.765 0.046 18374 5095 1 18 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.698 2.392 18374 5096 1 18 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.565 2.333 18374 5097 1 18 . 1 1 30 30 CYS H H 30 8.710 8.710 7.804 0.906 18374 5098 1 18 . 1 1 31 31 ALA N N 31 120.477 120.477 124.652 -4.175 18374 5099 1 18 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.498 -0.214 18374 5100 1 18 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.811 2.679 18374 5101 1 18 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.986 -1.568 18374 5102 1 18 . 1 1 31 31 ALA H H 31 7.626 7.626 8.326 -0.700 18374 5103 1 18 . 1 1 32 32 ALA N N 32 125.524 125.524 125.987 -0.463 18374 5104 1 18 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.530 -0.284 18374 5105 1 18 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.383 1.458 18374 5106 1 18 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.167 -1.833 18374 5107 1 18 . 1 1 32 32 ALA H H 32 9.152 9.152 8.307 0.845 18374 5108 1 18 . 1 1 33 33 ALA N N 33 123.257 123.257 127.316 -4.059 18374 5109 1 18 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.766 -0.356 18374 5110 1 18 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.035 -0.229 18374 5111 1 18 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.111 -0.483 18374 5112 1 18 . 1 1 33 33 ALA H H 33 8.490 8.490 8.712 -0.222 18374 5113 1 18 . 1 1 34 34 PHE N N 34 118.220 118.220 120.325 -2.105 18374 5114 1 18 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.833 0.241 18374 5115 1 18 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.303 -0.541 18374 5116 1 18 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.863 -1.641 18374 5117 1 18 . 1 1 34 34 PHE H H 34 8.948 8.948 8.245 0.703 18374 5118 1 18 . 1 1 35 35 HIS N N 35 116.759 116.759 120.116 -3.357 18374 5119 1 18 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.848 0.038 18374 5120 1 18 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.497 1.641 18374 5121 1 18 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.946 0.077 18374 5122 1 18 . 1 1 35 35 HIS H H 35 7.932 7.932 7.966 -0.034 18374 5123 1 18 . 1 1 36 36 TRP N N 36 127.649 127.649 127.263 0.386 18374 5124 1 18 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.593 -0.155 18374 5125 1 18 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.519 -0.146 18374 5126 1 18 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.943 -0.619 18374 5127 1 18 . 1 1 36 36 TRP H H 36 9.421 9.421 9.011 0.410 18374 5128 1 18 . 1 1 37 37 ARG N N 37 113.040 113.040 116.213 -3.173 18374 5129 1 18 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.383 0.021 18374 5130 1 18 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.833 -1.360 18374 5131 1 18 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.567 -0.400 18374 5132 1 18 . 1 1 37 37 ARG H H 37 9.075 9.075 8.503 0.572 18374 5133 1 18 . 1 1 38 38 CYS N N 38 116.493 116.493 114.819 1.674 18374 5134 1 18 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.436 -0.218 18374 5135 1 18 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.126 2.333 18374 5136 1 18 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.158 3.518 18374 5137 1 18 . 1 1 38 38 CYS H H 38 7.169 7.169 7.860 -0.691 18374 5138 1 18 . 1 1 39 39 HIS N N 39 118.220 118.220 116.633 1.587 18374 5139 1 18 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.287 -0.064 18374 5140 1 18 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.067 1.409 18374 5141 1 18 . 1 1 39 39 HIS CB C 39 35.340 35.340 30.895 4.445 18374 5142 1 18 . 1 1 39 39 HIS H H 39 7.562 7.562 7.534 0.028 18374 5143 1 18 . 1 1 40 40 PHE N N 40 117.157 117.157 117.463 -0.306 18374 5144 1 18 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.817 -0.034 18374 5145 1 18 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.209 -2.550 18374 5146 1 18 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.217 -0.410 18374 5147 1 18 . 1 1 40 40 PHE H H 40 8.282 8.282 8.384 -0.102 18374 5148 1 18 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.548 -0.061 18374 5149 1 18 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.714 0.505 18374 5150 1 18 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.521 -0.306 18374 5151 1 18 . 1 1 42 42 ALA N N 42 123.001 123.001 122.769 0.232 18374 5152 1 18 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.247 0.111 18374 5153 1 18 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.247 -1.234 18374 5154 1 18 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.769 -0.128 18374 5155 1 18 . 1 1 42 42 ALA H H 42 8.635 8.635 8.550 0.085 18374 5156 1 18 . 1 1 43 43 GLY N N 43 108.291 108.291 104.861 3.430 18374 5157 1 18 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.030 0.436 18374 5158 1 18 . 1 1 43 43 GLY H H 43 8.529 8.529 8.202 0.327 18374 5159 1 18 . 1 1 44 44 THR N N 44 113.961 113.961 119.865 -5.904 18374 5160 1 18 . 1 1 44 44 THR HA H 44 4.424 4.424 4.526 -0.102 18374 5161 1 18 . 1 1 44 44 THR CA C 44 62.074 62.074 62.210 -0.136 18374 5162 1 18 . 1 1 44 44 THR CB C 44 70.259 70.259 69.574 0.685 18374 5163 1 18 . 1 1 44 44 THR H H 44 7.971 7.971 7.955 0.016 18374 5164 1 18 . 1 1 45 45 SER N N 45 120.467 120.467 121.260 -0.793 18374 5165 1 18 . 1 1 45 45 SER HA H 45 4.280 4.280 4.584 -0.304 18374 5166 1 18 . 1 1 45 45 SER CA C 45 58.274 58.274 57.730 0.544 18374 5167 1 18 . 1 1 45 45 SER CB C 45 63.906 63.906 64.229 -0.323 18374 5168 1 18 . 1 1 45 45 SER H H 45 8.644 8.644 8.653 -0.009 18374 5169 1 18 . 1 1 46 46 ARG N N 46 124.196 124.196 124.723 -0.527 18374 5170 1 18 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.085 0.835 18374 5171 1 18 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.494 -0.342 18374 5172 1 18 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.735 0.167 18374 5173 1 18 . 1 1 46 46 ARG H H 46 8.197 8.197 8.242 -0.045 18374 5174 1 18 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.400 -0.102 18374 5175 1 18 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.217 0.601 18374 5176 1 18 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.258 -0.072 18374 5177 1 18 . 1 1 48 48 GLY N N 48 108.071 108.071 110.140 -2.069 18374 5178 1 18 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.869 -0.190 18374 5179 1 18 . 1 1 48 48 GLY H H 48 8.492 8.492 8.587 -0.095 18374 5180 1 18 . 1 1 49 49 THR N N 49 111.151 111.151 112.500 -1.349 18374 5181 1 18 . 1 1 49 49 THR HA H 49 4.377 4.377 4.432 -0.055 18374 5182 1 18 . 1 1 49 49 THR CA C 49 60.690 60.690 60.690 -0.000 18374 5183 1 18 . 1 1 49 49 THR CB C 49 70.332 70.332 68.575 1.757 18374 5184 1 18 . 1 1 49 49 THR H H 49 7.669 7.669 7.720 -0.051 18374 5185 1 18 . 1 1 50 50 GLY N N 50 110.491 110.491 111.057 -0.566 18374 5186 1 18 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.550 1.631 18374 5187 1 18 . 1 1 50 50 GLY H H 50 8.459 8.459 7.976 0.483 18374 5188 1 18 . 1 1 51 51 LEU N N 51 121.407 121.407 121.442 -0.035 18374 5189 1 18 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.347 -0.065 18374 5190 1 18 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.446 0.922 18374 5191 1 18 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.341 0.478 18374 5192 1 18 . 1 1 51 51 LEU H H 51 8.248 8.248 8.222 0.026 18374 5193 1 18 . 1 1 52 52 ARG N N 52 124.997 124.997 126.001 -1.004 18374 5194 1 18 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.810 1.037 18374 5195 1 18 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.784 -0.653 18374 5196 1 18 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.138 1.847 18374 5197 1 18 . 1 1 52 52 ARG H H 52 8.639 8.639 8.458 0.181 18374 5198 1 18 . 1 1 53 53 CYS N N 53 120.743 120.743 121.859 -1.116 18374 5199 1 18 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.112 -0.619 18374 5200 1 18 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.335 -0.131 18374 5201 1 18 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.188 1.591 18374 5202 1 18 . 1 1 53 53 CYS H H 53 8.933 8.933 8.563 0.370 18374 5203 1 18 . 1 1 54 54 ARG N N 54 121.407 121.407 120.108 1.299 18374 5204 1 18 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.028 -0.218 18374 5205 1 18 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.737 -0.350 18374 5206 1 18 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.157 -1.274 18374 5207 1 18 . 1 1 54 54 ARG H H 54 10.380 10.380 8.538 1.842 18374 5208 1 18 . 1 1 55 55 SER N N 55 117.300 117.300 114.269 3.031 18374 5209 1 18 . 1 1 55 55 SER HA H 55 4.258 4.258 4.318 -0.060 18374 5210 1 18 . 1 1 55 55 SER CA C 55 61.216 61.216 61.241 -0.025 18374 5211 1 18 . 1 1 55 55 SER CB C 55 62.830 62.830 63.066 -0.236 18374 5212 1 18 . 1 1 55 55 SER H H 55 8.228 8.228 7.947 0.281 18374 5213 1 18 . 1 1 56 56 CYS N N 56 122.602 122.602 120.453 2.149 18374 5214 1 18 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.419 -0.233 18374 5215 1 18 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.556 -0.314 18374 5216 1 18 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.970 3.946 18374 5217 1 18 . 1 1 56 56 CYS H H 56 7.999 7.999 7.780 0.219 18374 5218 1 18 . 1 1 57 57 SER N N 57 115.430 115.430 114.700 0.730 18374 5219 1 18 . 1 1 57 57 SER HA H 57 4.266 4.266 4.376 -0.110 18374 5220 1 18 . 1 1 57 57 SER CA C 57 59.992 59.992 58.964 1.028 18374 5221 1 18 . 1 1 57 57 SER CB C 57 63.492 63.492 62.855 0.637 18374 5222 1 18 . 1 1 57 57 SER H H 57 7.938 7.938 8.037 -0.099 18374 5223 1 18 . 1 1 58 58 GLY N N 58 109.391 109.391 110.135 -0.744 18374 5224 1 18 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.096 0.330 18374 5225 1 18 . 1 1 58 58 GLY H H 58 8.013 8.013 7.726 0.287 18374 5226 1 18 . 1 1 59 59 ASP N N 59 120.345 120.345 121.699 -1.354 18374 5227 1 18 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.720 -0.129 18374 5228 1 18 . 1 1 59 59 ASP CA C 59 54.292 54.292 55.262 -0.970 18374 5229 1 18 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.213 -0.130 18374 5230 1 18 . 1 1 59 59 ASP H H 59 8.130 8.130 8.222 -0.092 18374 5231 1 18 . 1 1 60 60 VAL N N 60 119.548 119.548 118.576 0.972 18374 5232 1 18 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.398 -0.240 18374 5233 1 18 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.702 0.213 18374 5234 1 18 . 1 1 60 60 VAL CB C 60 32.515 32.515 29.066 3.449 18374 5235 1 18 . 1 1 60 60 VAL H H 60 8.072 8.072 7.696 0.376 18374 5236 1 18 . 1 1 61 61 THR N N 61 121.407 121.407 121.346 0.061 18374 5237 1 18 . 1 1 61 61 THR HA H 61 4.509 4.509 4.669 -0.160 18374 5238 1 18 . 1 1 61 61 THR CA C 61 59.848 59.848 60.213 -0.365 18374 5239 1 18 . 1 1 61 61 THR CB C 61 69.602 69.602 69.460 0.142 18374 5240 1 18 . 1 1 61 61 THR H H 61 8.335 8.335 7.578 0.757 18374 5241 1 18 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.378 -0.016 18374 5242 1 18 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.754 0.149 18374 5243 1 18 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.297 -0.348 18374 5244 1 18 . 1 1 63 63 ALA N N 63 125.923 125.923 126.606 -0.683 18374 5245 1 18 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.392 0.146 18374 5246 1 18 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.864 -0.596 18374 5247 1 18 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.081 -1.381 18374 5248 1 18 . 1 1 63 63 ALA H H 63 8.368 8.368 8.203 0.165 18374 5249 1 18 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.397 0.013 18374 5250 1 18 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.291 -0.394 18374 5251 1 18 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.476 0.448 18374 5252 1 18 . 1 1 65 65 VAL N N 65 120.526 120.526 122.251 -1.725 18374 5253 1 18 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.377 -0.304 18374 5254 1 18 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.647 0.679 18374 5255 1 18 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.954 -1.874 18374 5256 1 18 . 1 1 65 65 VAL H H 65 8.270 8.270 8.263 0.007 18374 5257 1 19 . 1 1 2 2 ALA N N 2 123.688 123.688 125.302 -1.614 18374 5258 1 19 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.360 -0.062 18374 5259 1 19 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.791 -0.081 18374 5260 1 19 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.017 0.218 18374 5261 1 19 . 1 1 2 2 ALA H H 2 8.653 8.653 8.543 0.110 18374 5262 1 19 . 1 1 3 3 MET N N 3 119.289 119.289 119.202 0.087 18374 5263 1 19 . 1 1 3 3 MET HA H 3 4.426 4.426 4.666 -0.240 18374 5264 1 19 . 1 1 3 3 MET CA C 3 55.430 55.430 55.157 0.273 18374 5265 1 19 . 1 1 3 3 MET CB C 3 32.532 32.532 33.368 -0.836 18374 5266 1 19 . 1 1 3 3 MET H H 3 8.545 8.545 7.665 0.880 18374 5267 1 19 . 1 1 4 4 GLU N N 4 122.149 122.149 121.165 0.984 18374 5268 1 19 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.516 -0.272 18374 5269 1 19 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.575 1.456 18374 5270 1 19 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.248 -0.242 18374 5271 1 19 . 1 1 4 4 GLU H H 4 8.440 8.440 7.689 0.751 18374 5272 1 19 . 1 1 5 5 GLY N N 5 110.051 110.051 113.825 -3.774 18374 5273 1 19 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.189 0.219 18374 5274 1 19 . 1 1 5 5 GLY H H 5 8.500 8.500 8.471 0.029 18374 5275 1 19 . 1 1 6 6 GLN N N 6 119.509 119.509 119.361 0.148 18374 5276 1 19 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.439 -0.153 18374 5277 1 19 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.537 -1.537 18374 5278 1 19 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.887 -0.679 18374 5279 1 19 . 1 1 6 6 GLN H H 6 8.242 8.242 8.455 -0.213 18374 5280 1 19 . 1 1 7 7 GLN N N 7 121.049 121.049 116.379 4.670 18374 5281 1 19 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.278 -0.017 18374 5282 1 19 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.087 0.017 18374 5283 1 19 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.457 -0.253 18374 5284 1 19 . 1 1 7 7 GLN H H 7 8.534 8.534 8.489 0.045 18374 5285 1 19 . 1 1 8 8 ASN N N 8 119.289 119.289 118.226 1.063 18374 5286 1 19 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.689 -0.044 18374 5287 1 19 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.903 0.204 18374 5288 1 19 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.957 -0.438 18374 5289 1 19 . 1 1 8 8 ASN H H 8 8.486 8.486 7.780 0.706 18374 5290 1 19 . 1 1 9 9 LEU N N 9 122.204 122.204 126.205 -4.001 18374 5291 1 19 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.310 -0.019 18374 5292 1 19 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.450 0.266 18374 5293 1 19 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.516 0.881 18374 5294 1 19 . 1 1 9 9 LEU H H 9 8.145 8.145 8.503 -0.358 18374 5295 1 19 . 1 1 10 10 ALA N N 10 126.188 126.188 129.144 -2.956 18374 5296 1 19 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.521 0.011 18374 5297 1 19 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.131 0.206 18374 5298 1 19 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.498 -0.705 18374 5299 1 19 . 1 1 10 10 ALA H H 10 8.324 8.324 8.261 0.063 18374 5300 1 19 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.265 0.099 18374 5301 1 19 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.636 0.272 18374 5302 1 19 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.201 0.668 18374 5303 1 19 . 1 1 12 12 GLY N N 12 108.951 108.951 112.335 -3.384 18374 5304 1 19 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.647 0.574 18374 5305 1 19 . 1 1 12 12 GLY H H 12 8.501 8.501 8.201 0.300 18374 5306 1 19 . 1 1 13 13 ALA N N 13 123.134 123.134 125.815 -2.681 18374 5307 1 19 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.480 -0.246 18374 5308 1 19 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.935 0.173 18374 5309 1 19 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.402 1.123 18374 5310 1 19 . 1 1 13 13 ALA H H 13 7.957 7.957 8.434 -0.477 18374 5311 1 19 . 1 1 14 14 ARG N N 14 116.759 116.759 119.642 -2.883 18374 5312 1 19 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.507 -0.388 18374 5313 1 19 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.879 -1.069 18374 5314 1 19 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.656 -2.203 18374 5315 1 19 . 1 1 14 14 ARG H H 14 7.990 7.990 7.834 0.156 18374 5316 1 19 . 1 1 15 15 CYS N N 15 123.688 123.688 123.152 0.536 18374 5317 1 19 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.466 -0.449 18374 5318 1 19 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.539 -0.429 18374 5319 1 19 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.859 4.198 18374 5320 1 19 . 1 1 15 15 CYS H H 15 7.646 7.646 8.644 -0.998 18374 5321 1 19 . 1 1 16 16 GLY N N 16 117.749 117.749 116.354 1.395 18374 5322 1 19 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.355 -0.570 18374 5323 1 19 . 1 1 16 16 GLY H H 16 8.916 8.916 9.142 -0.226 18374 5324 1 19 . 1 1 17 17 VAL N N 17 122.602 122.602 120.497 2.105 18374 5325 1 19 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.977 0.037 18374 5326 1 19 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.520 0.511 18374 5327 1 19 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.985 0.855 18374 5328 1 19 . 1 1 17 17 VAL H H 17 8.856 8.856 8.012 0.844 18374 5329 1 19 . 1 1 18 18 CYS N N 18 115.430 115.430 115.999 -0.569 18374 5330 1 19 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.785 0.141 18374 5331 1 19 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.880 -0.701 18374 5332 1 19 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.206 2.405 18374 5333 1 19 . 1 1 18 18 CYS H H 18 7.758 7.758 7.845 -0.087 18374 5334 1 19 . 1 1 19 19 GLY N N 19 113.040 113.040 110.774 2.266 18374 5335 1 19 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.766 0.591 18374 5336 1 19 . 1 1 19 19 GLY H H 19 8.029 8.029 8.684 -0.655 18374 5337 1 19 . 1 1 20 20 ASP N N 20 123.399 123.399 118.310 5.089 18374 5338 1 19 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.816 0.191 18374 5339 1 19 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.193 0.321 18374 5340 1 19 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.944 0.598 18374 5341 1 19 . 1 1 20 20 ASP H H 20 8.722 8.722 7.536 1.186 18374 5342 1 19 . 1 1 21 21 GLY N N 21 111.371 111.371 108.912 2.459 18374 5343 1 19 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.512 0.595 18374 5344 1 19 . 1 1 21 21 GLY H H 21 8.667 8.667 8.550 0.117 18374 5345 1 19 . 1 1 22 22 THR N N 22 118.220 118.220 118.658 -0.438 18374 5346 1 19 . 1 1 22 22 THR HA H 22 3.979 3.979 4.346 -0.367 18374 5347 1 19 . 1 1 22 22 THR CA C 22 64.367 64.367 63.973 0.394 18374 5348 1 19 . 1 1 22 22 THR CB C 22 67.783 67.783 69.399 -1.616 18374 5349 1 19 . 1 1 22 22 THR H H 22 8.784 8.784 8.603 0.181 18374 5350 1 19 . 1 1 23 23 ASP N N 23 127.251 127.251 122.859 4.392 18374 5351 1 19 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.238 0.063 18374 5352 1 19 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.073 0.354 18374 5353 1 19 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.027 -0.988 18374 5354 1 19 . 1 1 23 23 ASP H H 23 9.376 9.376 8.913 0.463 18374 5355 1 19 . 1 1 24 24 VAL N N 24 111.371 111.371 118.171 -6.800 18374 5356 1 19 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.318 -0.758 18374 5357 1 19 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.927 -0.211 18374 5358 1 19 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.618 -1.326 18374 5359 1 19 . 1 1 24 24 VAL H H 24 7.402 7.402 7.808 -0.406 18374 5360 1 19 . 1 1 25 25 LEU N N 25 123.908 123.908 127.960 -4.052 18374 5361 1 19 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.577 -0.238 18374 5362 1 19 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.594 -1.073 18374 5363 1 19 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.464 -1.022 18374 5364 1 19 . 1 1 25 25 LEU H H 25 8.328 8.328 8.640 -0.312 18374 5365 1 19 . 1 1 26 26 ARG N N 26 116.626 116.626 121.098 -4.472 18374 5366 1 19 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.163 -0.062 18374 5367 1 19 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.669 -2.014 18374 5368 1 19 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.330 0.338 18374 5369 1 19 . 1 1 26 26 ARG H H 26 7.877 7.877 8.122 -0.245 18374 5370 1 19 . 1 1 27 27 CYS N N 27 126.328 126.328 125.807 0.521 18374 5371 1 19 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.752 -0.437 18374 5372 1 19 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.940 1.458 18374 5373 1 19 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.051 1.616 18374 5374 1 19 . 1 1 27 27 CYS H H 27 9.182 9.182 8.428 0.754 18374 5375 1 19 . 1 1 28 28 THR N N 28 122.470 122.470 121.016 1.454 18374 5376 1 19 . 1 1 28 28 THR HA H 28 4.166 4.166 4.352 -0.186 18374 5377 1 19 . 1 1 28 28 THR CA C 28 64.686 64.686 64.271 0.415 18374 5378 1 19 . 1 1 28 28 THR CB C 28 69.846 69.846 69.337 0.509 18374 5379 1 19 . 1 1 28 28 THR H H 28 8.956 8.956 9.103 -0.147 18374 5380 1 19 . 1 1 29 29 HIS N N 29 123.908 123.908 120.435 3.473 18374 5381 1 19 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.635 0.274 18374 5382 1 19 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.952 1.153 18374 5383 1 19 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.965 -0.420 18374 5384 1 19 . 1 1 29 29 HIS H H 29 9.464 9.464 8.474 0.990 18374 5385 1 19 . 1 1 30 30 CYS N N 30 119.946 119.946 114.972 4.974 18374 5386 1 19 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.601 0.210 18374 5387 1 19 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.487 2.603 18374 5388 1 19 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.565 2.333 18374 5389 1 19 . 1 1 30 30 CYS H H 30 8.710 8.710 7.615 1.095 18374 5390 1 19 . 1 1 31 31 ALA N N 31 120.477 120.477 124.401 -3.924 18374 5391 1 19 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.575 -0.291 18374 5392 1 19 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.485 3.005 18374 5393 1 19 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.657 -2.239 18374 5394 1 19 . 1 1 31 31 ALA H H 31 7.626 7.626 8.621 -0.995 18374 5395 1 19 . 1 1 32 32 ALA N N 32 125.524 125.524 125.707 -0.183 18374 5396 1 19 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.711 -0.465 18374 5397 1 19 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.245 1.595 18374 5398 1 19 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.801 -1.467 18374 5399 1 19 . 1 1 32 32 ALA H H 32 9.152 9.152 8.333 0.819 18374 5400 1 19 . 1 1 33 33 ALA N N 33 123.257 123.257 125.503 -2.246 18374 5401 1 19 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.819 -0.409 18374 5402 1 19 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.316 -0.510 18374 5403 1 19 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.474 -0.846 18374 5404 1 19 . 1 1 33 33 ALA H H 33 8.490 8.490 8.646 -0.156 18374 5405 1 19 . 1 1 34 34 PHE N N 34 118.220 118.220 119.078 -0.858 18374 5406 1 19 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.867 0.207 18374 5407 1 19 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.231 -0.469 18374 5408 1 19 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.957 -1.735 18374 5409 1 19 . 1 1 34 34 PHE H H 34 8.948 8.948 8.358 0.590 18374 5410 1 19 . 1 1 35 35 HIS N N 35 116.759 116.759 120.729 -3.970 18374 5411 1 19 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.811 0.075 18374 5412 1 19 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.563 1.575 18374 5413 1 19 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.124 0.899 18374 5414 1 19 . 1 1 35 35 HIS H H 35 7.932 7.932 8.355 -0.423 18374 5415 1 19 . 1 1 36 36 TRP N N 36 127.649 127.649 127.807 -0.158 18374 5416 1 19 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.644 -0.206 18374 5417 1 19 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.038 0.335 18374 5418 1 19 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.823 -0.499 18374 5419 1 19 . 1 1 36 36 TRP H H 36 9.421 9.421 9.059 0.362 18374 5420 1 19 . 1 1 37 37 ARG N N 37 113.040 113.040 116.528 -3.488 18374 5421 1 19 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.589 -0.185 18374 5422 1 19 . 1 1 37 37 ARG CA C 37 57.473 57.473 57.906 -0.433 18374 5423 1 19 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.140 0.027 18374 5424 1 19 . 1 1 37 37 ARG H H 37 9.075 9.075 8.531 0.544 18374 5425 1 19 . 1 1 38 38 CYS N N 38 116.493 116.493 116.264 0.229 18374 5426 1 19 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.573 -0.355 18374 5427 1 19 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.233 2.226 18374 5428 1 19 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.671 3.005 18374 5429 1 19 . 1 1 38 38 CYS H H 38 7.169 7.169 7.987 -0.818 18374 5430 1 19 . 1 1 39 39 HIS N N 39 118.220 118.220 116.846 1.374 18374 5431 1 19 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.300 -0.077 18374 5432 1 19 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.527 0.949 18374 5433 1 19 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.006 4.334 18374 5434 1 19 . 1 1 39 39 HIS H H 39 7.562 7.562 7.606 -0.044 18374 5435 1 19 . 1 1 40 40 PHE N N 40 117.157 117.157 117.327 -0.170 18374 5436 1 19 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.811 -0.028 18374 5437 1 19 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.292 -2.634 18374 5438 1 19 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.725 -0.918 18374 5439 1 19 . 1 1 40 40 PHE H H 40 8.282 8.282 8.366 -0.084 18374 5440 1 19 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.639 -0.152 18374 5441 1 19 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.472 0.747 18374 5442 1 19 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.719 -0.504 18374 5443 1 19 . 1 1 42 42 ALA N N 42 123.001 123.001 121.678 1.323 18374 5444 1 19 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.215 0.143 18374 5445 1 19 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.570 -1.557 18374 5446 1 19 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.659 -0.018 18374 5447 1 19 . 1 1 42 42 ALA H H 42 8.635 8.635 8.490 0.145 18374 5448 1 19 . 1 1 43 43 GLY N N 43 108.291 108.291 104.769 3.522 18374 5449 1 19 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.556 -0.090 18374 5450 1 19 . 1 1 43 43 GLY H H 43 8.529 8.529 8.399 0.130 18374 5451 1 19 . 1 1 44 44 THR N N 44 113.961 113.961 118.520 -4.559 18374 5452 1 19 . 1 1 44 44 THR HA H 44 4.424 4.424 4.567 -0.143 18374 5453 1 19 . 1 1 44 44 THR CA C 44 62.074 62.074 62.683 -0.609 18374 5454 1 19 . 1 1 44 44 THR CB C 44 70.259 70.259 70.219 0.040 18374 5455 1 19 . 1 1 44 44 THR H H 44 7.971 7.971 7.561 0.410 18374 5456 1 19 . 1 1 45 45 SER N N 45 120.467 120.467 119.578 0.889 18374 5457 1 19 . 1 1 45 45 SER HA H 45 4.280 4.280 4.622 -0.342 18374 5458 1 19 . 1 1 45 45 SER CA C 45 58.274 58.274 57.302 0.972 18374 5459 1 19 . 1 1 45 45 SER CB C 45 63.906 63.906 64.255 -0.349 18374 5460 1 19 . 1 1 45 45 SER H H 45 8.644 8.644 8.629 0.015 18374 5461 1 19 . 1 1 46 46 ARG N N 46 124.196 124.196 125.553 -1.357 18374 5462 1 19 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.498 0.422 18374 5463 1 19 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.393 -0.241 18374 5464 1 19 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.243 -0.341 18374 5465 1 19 . 1 1 46 46 ARG H H 46 8.197 8.197 8.270 -0.073 18374 5466 1 19 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.447 -0.149 18374 5467 1 19 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.134 0.684 18374 5468 1 19 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.418 -0.232 18374 5469 1 19 . 1 1 48 48 GLY N N 48 108.071 108.071 109.749 -1.678 18374 5470 1 19 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.394 -0.715 18374 5471 1 19 . 1 1 48 48 GLY H H 48 8.492 8.492 8.604 -0.112 18374 5472 1 19 . 1 1 49 49 THR N N 49 111.151 111.151 109.867 1.284 18374 5473 1 19 . 1 1 49 49 THR HA H 49 4.377 4.377 4.435 -0.058 18374 5474 1 19 . 1 1 49 49 THR CA C 49 60.690 60.690 61.800 -1.110 18374 5475 1 19 . 1 1 49 49 THR CB C 49 70.332 70.332 69.990 0.342 18374 5476 1 19 . 1 1 49 49 THR H H 49 7.669 7.669 7.630 0.039 18374 5477 1 19 . 1 1 50 50 GLY N N 50 110.491 110.491 111.210 -0.719 18374 5478 1 19 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.401 1.780 18374 5479 1 19 . 1 1 50 50 GLY H H 50 8.459 8.459 7.925 0.534 18374 5480 1 19 . 1 1 51 51 LEU N N 51 121.407 121.407 122.186 -0.779 18374 5481 1 19 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.303 -0.021 18374 5482 1 19 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.138 1.230 18374 5483 1 19 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.141 0.678 18374 5484 1 19 . 1 1 51 51 LEU H H 51 8.248 8.248 7.660 0.588 18374 5485 1 19 . 1 1 52 52 ARG N N 52 124.997 124.997 125.893 -0.896 18374 5486 1 19 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.916 0.931 18374 5487 1 19 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.726 -0.595 18374 5488 1 19 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.219 1.766 18374 5489 1 19 . 1 1 52 52 ARG H H 52 8.639 8.639 8.570 0.069 18374 5490 1 19 . 1 1 53 53 CYS N N 53 120.743 120.743 122.738 -1.995 18374 5491 1 19 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.935 -0.442 18374 5492 1 19 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.273 -0.069 18374 5493 1 19 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.357 1.422 18374 5494 1 19 . 1 1 53 53 CYS H H 53 8.933 8.933 8.679 0.254 18374 5495 1 19 . 1 1 54 54 ARG N N 54 121.407 121.407 119.144 2.263 18374 5496 1 19 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.930 -0.120 18374 5497 1 19 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.251 0.136 18374 5498 1 19 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.478 -0.595 18374 5499 1 19 . 1 1 54 54 ARG H H 54 10.380 10.380 8.578 1.802 18374 5500 1 19 . 1 1 55 55 SER N N 55 117.300 117.300 113.164 4.136 18374 5501 1 19 . 1 1 55 55 SER HA H 55 4.258 4.258 4.328 -0.070 18374 5502 1 19 . 1 1 55 55 SER CA C 55 61.216 61.216 61.059 0.156 18374 5503 1 19 . 1 1 55 55 SER CB C 55 62.830 62.830 63.715 -0.885 18374 5504 1 19 . 1 1 55 55 SER H H 55 8.228 8.228 7.899 0.329 18374 5505 1 19 . 1 1 56 56 CYS N N 56 122.602 122.602 119.546 3.056 18374 5506 1 19 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.349 -0.163 18374 5507 1 19 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.970 0.272 18374 5508 1 19 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.291 3.625 18374 5509 1 19 . 1 1 56 56 CYS H H 56 7.999 7.999 7.754 0.245 18374 5510 1 19 . 1 1 57 57 SER N N 57 115.430 115.430 113.695 1.735 18374 5511 1 19 . 1 1 57 57 SER HA H 57 4.266 4.266 4.650 -0.384 18374 5512 1 19 . 1 1 57 57 SER CA C 57 59.992 59.992 58.137 1.855 18374 5513 1 19 . 1 1 57 57 SER CB C 57 63.492 63.492 63.385 0.107 18374 5514 1 19 . 1 1 57 57 SER H H 57 7.938 7.938 8.184 -0.246 18374 5515 1 19 . 1 1 58 58 GLY N N 58 109.391 109.391 110.516 -1.125 18374 5516 1 19 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.325 0.101 18374 5517 1 19 . 1 1 58 58 GLY H H 58 8.013 8.013 7.432 0.581 18374 5518 1 19 . 1 1 59 59 ASP N N 59 120.345 120.345 124.339 -3.994 18374 5519 1 19 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.681 -0.090 18374 5520 1 19 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.888 0.404 18374 5521 1 19 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.154 -1.071 18374 5522 1 19 . 1 1 59 59 ASP H H 59 8.130 8.130 8.340 -0.210 18374 5523 1 19 . 1 1 60 60 VAL N N 60 119.548 119.548 124.203 -4.655 18374 5524 1 19 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.399 -0.241 18374 5525 1 19 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.700 0.215 18374 5526 1 19 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.715 -1.200 18374 5527 1 19 . 1 1 60 60 VAL H H 60 8.072 8.072 8.423 -0.351 18374 5528 1 19 . 1 1 61 61 THR N N 61 121.407 121.407 123.449 -2.042 18374 5529 1 19 . 1 1 61 61 THR HA H 61 4.509 4.509 4.584 -0.075 18374 5530 1 19 . 1 1 61 61 THR CA C 61 59.848 59.848 60.794 -0.945 18374 5531 1 19 . 1 1 61 61 THR CB C 61 69.602 69.602 68.620 0.982 18374 5532 1 19 . 1 1 61 61 THR H H 61 8.335 8.335 8.169 0.166 18374 5533 1 19 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.679 -0.318 18374 5534 1 19 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.259 0.644 18374 5535 1 19 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.755 -0.806 18374 5536 1 19 . 1 1 63 63 ALA N N 63 125.923 125.923 124.647 1.276 18374 5537 1 19 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.542 -0.004 18374 5538 1 19 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.515 -0.247 18374 5539 1 19 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.932 -1.232 18374 5540 1 19 . 1 1 63 63 ALA H H 63 8.368 8.368 8.229 0.139 18374 5541 1 19 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.399 0.011 18374 5542 1 19 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.159 -0.262 18374 5543 1 19 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.185 -0.262 18374 5544 1 19 . 1 1 65 65 VAL N N 65 120.526 120.526 120.006 0.520 18374 5545 1 19 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.237 -0.164 18374 5546 1 19 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.590 -0.264 18374 5547 1 19 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.021 0.059 18374 5548 1 19 . 1 1 65 65 VAL H H 65 8.270 8.270 8.195 0.075 18374 5549 1 20 . 1 1 2 2 ALA N N 2 123.688 123.688 121.758 1.930 18374 5550 1 20 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.194 0.104 18374 5551 1 20 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.305 0.405 18374 5552 1 20 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.541 0.694 18374 5553 1 20 . 1 1 2 2 ALA H H 2 8.653 8.653 7.981 0.672 18374 5554 1 20 . 1 1 3 3 MET N N 3 119.289 119.289 118.359 0.930 18374 5555 1 20 . 1 1 3 3 MET HA H 3 4.426 4.426 4.229 0.197 18374 5556 1 20 . 1 1 3 3 MET CA C 3 55.430 55.430 57.399 -1.969 18374 5557 1 20 . 1 1 3 3 MET CB C 3 32.532 32.532 32.840 -0.308 18374 5558 1 20 . 1 1 3 3 MET H H 3 8.545 8.545 8.180 0.365 18374 5559 1 20 . 1 1 4 4 GLU N N 4 122.149 122.149 117.313 4.836 18374 5560 1 20 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.398 -0.154 18374 5561 1 20 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.546 1.485 18374 5562 1 20 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.200 -0.194 18374 5563 1 20 . 1 1 4 4 GLU H H 4 8.440 8.440 8.486 -0.046 18374 5564 1 20 . 1 1 5 5 GLY N N 5 110.051 110.051 107.622 2.429 18374 5565 1 20 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.916 0.492 18374 5566 1 20 . 1 1 5 5 GLY H H 5 8.500 8.500 7.512 0.988 18374 5567 1 20 . 1 1 6 6 GLN N N 6 119.509 119.509 116.845 2.664 18374 5568 1 20 . 1 1 6 6 GLN HA H 6 4.286 4.286 3.937 0.349 18374 5569 1 20 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.140 -0.140 18374 5570 1 20 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.592 1.616 18374 5571 1 20 . 1 1 6 6 GLN H H 6 8.242 8.242 8.528 -0.286 18374 5572 1 20 . 1 1 7 7 GLN N N 7 121.049 121.049 114.531 6.518 18374 5573 1 20 . 1 1 7 7 GLN HA H 7 4.261 4.261 3.972 0.289 18374 5574 1 20 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.986 0.118 18374 5575 1 20 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.787 1.417 18374 5576 1 20 . 1 1 7 7 GLN H H 7 8.534 8.534 8.435 0.099 18374 5577 1 20 . 1 1 8 8 ASN N N 8 119.289 119.289 118.135 1.154 18374 5578 1 20 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.735 -0.090 18374 5579 1 20 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.120 -0.013 18374 5580 1 20 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.554 -0.035 18374 5581 1 20 . 1 1 8 8 ASN H H 8 8.486 8.486 7.762 0.724 18374 5582 1 20 . 1 1 9 9 LEU N N 9 122.204 122.204 125.614 -3.410 18374 5583 1 20 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.386 -0.095 18374 5584 1 20 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.667 0.049 18374 5585 1 20 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.806 0.591 18374 5586 1 20 . 1 1 9 9 LEU H H 9 8.145 8.145 8.243 -0.098 18374 5587 1 20 . 1 1 10 10 ALA N N 10 126.188 126.188 130.814 -4.626 18374 5588 1 20 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.687 -0.155 18374 5589 1 20 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.871 0.466 18374 5590 1 20 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.011 -1.218 18374 5591 1 20 . 1 1 10 10 ALA H H 10 8.324 8.324 8.666 -0.342 18374 5592 1 20 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.431 -0.067 18374 5593 1 20 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.996 0.912 18374 5594 1 20 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.627 2.242 18374 5595 1 20 . 1 1 12 12 GLY N N 12 108.951 108.951 109.070 -0.119 18374 5596 1 20 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.768 0.453 18374 5597 1 20 . 1 1 12 12 GLY H H 12 8.501 8.501 8.254 0.247 18374 5598 1 20 . 1 1 13 13 ALA N N 13 123.134 123.134 122.499 0.635 18374 5599 1 20 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.532 -0.298 18374 5600 1 20 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.592 0.517 18374 5601 1 20 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.495 1.030 18374 5602 1 20 . 1 1 13 13 ALA H H 13 7.957 7.957 8.057 -0.100 18374 5603 1 20 . 1 1 14 14 ARG N N 14 116.759 116.759 121.564 -4.805 18374 5604 1 20 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.457 -0.338 18374 5605 1 20 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.456 -1.645 18374 5606 1 20 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.979 -1.526 18374 5607 1 20 . 1 1 14 14 ARG H H 14 7.990 7.990 7.616 0.374 18374 5608 1 20 . 1 1 15 15 CYS N N 15 123.688 123.688 125.150 -1.462 18374 5609 1 20 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.707 -0.690 18374 5610 1 20 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.068 0.042 18374 5611 1 20 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.573 4.484 18374 5612 1 20 . 1 1 15 15 CYS H H 15 7.646 7.646 8.733 -1.087 18374 5613 1 20 . 1 1 16 16 GLY N N 16 117.749 117.749 115.873 1.876 18374 5614 1 20 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.824 -0.039 18374 5615 1 20 . 1 1 16 16 GLY H H 16 8.916 8.916 8.981 -0.065 18374 5616 1 20 . 1 1 17 17 VAL N N 17 122.602 122.602 121.536 1.066 18374 5617 1 20 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.866 0.148 18374 5618 1 20 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.876 0.155 18374 5619 1 20 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.740 1.100 18374 5620 1 20 . 1 1 17 17 VAL H H 17 8.856 8.856 8.252 0.604 18374 5621 1 20 . 1 1 18 18 CYS N N 18 115.430 115.430 113.800 1.630 18374 5622 1 20 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.902 0.024 18374 5623 1 20 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.411 -0.232 18374 5624 1 20 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.195 0.416 18374 5625 1 20 . 1 1 18 18 CYS H H 18 7.758 7.758 8.201 -0.443 18374 5626 1 20 . 1 1 19 19 GLY N N 19 113.040 113.040 110.829 2.211 18374 5627 1 20 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.885 1.472 18374 5628 1 20 . 1 1 19 19 GLY H H 19 8.029 8.029 8.567 -0.538 18374 5629 1 20 . 1 1 20 20 ASP N N 20 123.399 123.399 122.212 1.187 18374 5630 1 20 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.855 0.152 18374 5631 1 20 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.402 -0.888 18374 5632 1 20 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.521 2.021 18374 5633 1 20 . 1 1 20 20 ASP H H 20 8.722 8.722 7.800 0.922 18374 5634 1 20 . 1 1 21 21 GLY N N 21 111.371 111.371 107.746 3.625 18374 5635 1 20 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.720 0.387 18374 5636 1 20 . 1 1 21 21 GLY H H 21 8.667 8.667 8.520 0.147 18374 5637 1 20 . 1 1 22 22 THR N N 22 118.220 118.220 114.745 3.475 18374 5638 1 20 . 1 1 22 22 THR HA H 22 3.979 3.979 4.319 -0.340 18374 5639 1 20 . 1 1 22 22 THR CA C 22 64.367 64.367 62.750 1.617 18374 5640 1 20 . 1 1 22 22 THR CB C 22 67.783 67.783 69.631 -1.848 18374 5641 1 20 . 1 1 22 22 THR H H 22 8.784 8.784 7.602 1.182 18374 5642 1 20 . 1 1 23 23 ASP N N 23 127.251 127.251 126.145 1.106 18374 5643 1 20 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.297 0.004 18374 5644 1 20 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.197 0.230 18374 5645 1 20 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.417 -1.378 18374 5646 1 20 . 1 1 23 23 ASP H H 23 9.376 9.376 8.838 0.538 18374 5647 1 20 . 1 1 24 24 VAL N N 24 111.371 111.371 117.201 -5.830 18374 5648 1 20 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.322 -0.761 18374 5649 1 20 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.156 0.561 18374 5650 1 20 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.041 -0.749 18374 5651 1 20 . 1 1 24 24 VAL H H 24 7.402 7.402 7.889 -0.487 18374 5652 1 20 . 1 1 25 25 LEU N N 25 123.908 123.908 127.710 -3.802 18374 5653 1 20 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.497 -0.158 18374 5654 1 20 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.017 -1.494 18374 5655 1 20 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.059 -0.618 18374 5656 1 20 . 1 1 25 25 LEU H H 25 8.328 8.328 8.681 -0.353 18374 5657 1 20 . 1 1 26 26 ARG N N 26 116.626 116.626 120.417 -3.791 18374 5658 1 20 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.203 -0.102 18374 5659 1 20 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.436 -1.781 18374 5660 1 20 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.614 0.054 18374 5661 1 20 . 1 1 26 26 ARG H H 26 7.877 7.877 8.053 -0.176 18374 5662 1 20 . 1 1 27 27 CYS N N 27 126.328 126.328 125.777 0.551 18374 5663 1 20 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.904 -0.589 18374 5664 1 20 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.847 1.550 18374 5665 1 20 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.746 1.921 18374 5666 1 20 . 1 1 27 27 CYS H H 27 9.182 9.182 8.352 0.830 18374 5667 1 20 . 1 1 28 28 THR N N 28 122.470 122.470 121.951 0.519 18374 5668 1 20 . 1 1 28 28 THR HA H 28 4.166 4.166 4.447 -0.281 18374 5669 1 20 . 1 1 28 28 THR CA C 28 64.686 64.686 64.072 0.614 18374 5670 1 20 . 1 1 28 28 THR CB C 28 69.846 69.846 69.153 0.693 18374 5671 1 20 . 1 1 28 28 THR H H 28 8.956 8.956 9.075 -0.119 18374 5672 1 20 . 1 1 29 29 HIS N N 29 123.908 123.908 119.295 4.613 18374 5673 1 20 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.720 0.189 18374 5674 1 20 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.295 1.808 18374 5675 1 20 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.141 -0.596 18374 5676 1 20 . 1 1 29 29 HIS H H 29 9.464 9.464 8.629 0.835 18374 5677 1 20 . 1 1 30 30 CYS N N 30 119.946 119.946 115.144 4.802 18374 5678 1 20 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.782 0.029 18374 5679 1 20 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.812 2.278 18374 5680 1 20 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.476 2.422 18374 5681 1 20 . 1 1 30 30 CYS H H 30 8.710 8.710 7.494 1.216 18374 5682 1 20 . 1 1 31 31 ALA N N 31 120.477 120.477 124.752 -4.275 18374 5683 1 20 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.504 -0.220 18374 5684 1 20 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.860 2.630 18374 5685 1 20 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.884 -1.466 18374 5686 1 20 . 1 1 31 31 ALA H H 31 7.626 7.626 8.341 -0.715 18374 5687 1 20 . 1 1 32 32 ALA N N 32 125.524 125.524 125.746 -0.222 18374 5688 1 20 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.567 -0.321 18374 5689 1 20 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.546 1.294 18374 5690 1 20 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.027 -1.694 18374 5691 1 20 . 1 1 32 32 ALA H H 32 9.152 9.152 8.306 0.846 18374 5692 1 20 . 1 1 33 33 ALA N N 33 123.257 123.257 126.351 -3.094 18374 5693 1 20 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.836 -0.426 18374 5694 1 20 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.122 -0.316 18374 5695 1 20 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.572 -0.944 18374 5696 1 20 . 1 1 33 33 ALA H H 33 8.490 8.490 8.781 -0.291 18374 5697 1 20 . 1 1 34 34 PHE N N 34 118.220 118.220 119.625 -1.405 18374 5698 1 20 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.824 0.250 18374 5699 1 20 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.469 -0.707 18374 5700 1 20 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.742 -1.520 18374 5701 1 20 . 1 1 34 34 PHE H H 34 8.948 8.948 8.116 0.832 18374 5702 1 20 . 1 1 35 35 HIS N N 35 116.759 116.759 119.755 -2.996 18374 5703 1 20 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.905 -0.019 18374 5704 1 20 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.472 1.666 18374 5705 1 20 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.273 -0.250 18374 5706 1 20 . 1 1 35 35 HIS H H 35 7.932 7.932 8.052 -0.120 18374 5707 1 20 . 1 1 36 36 TRP N N 36 127.649 127.649 127.179 0.470 18374 5708 1 20 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.635 -0.197 18374 5709 1 20 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.396 -0.023 18374 5710 1 20 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.970 -0.646 18374 5711 1 20 . 1 1 36 36 TRP H H 36 9.421 9.421 9.108 0.313 18374 5712 1 20 . 1 1 37 37 ARG N N 37 113.040 113.040 117.444 -4.404 18374 5713 1 20 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.172 0.232 18374 5714 1 20 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.471 -1.998 18374 5715 1 20 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.620 -0.453 18374 5716 1 20 . 1 1 37 37 ARG H H 37 9.075 9.075 8.533 0.542 18374 5717 1 20 . 1 1 38 38 CYS N N 38 116.493 116.493 114.748 1.745 18374 5718 1 20 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.481 -0.263 18374 5719 1 20 . 1 1 38 38 CYS CA C 38 62.459 62.459 61.171 1.288 18374 5720 1 20 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.067 3.609 18374 5721 1 20 . 1 1 38 38 CYS H H 38 7.169 7.169 8.403 -1.234 18374 5722 1 20 . 1 1 39 39 HIS N N 39 118.220 118.220 116.347 1.873 18374 5723 1 20 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.269 -0.046 18374 5724 1 20 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.386 1.090 18374 5725 1 20 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.012 4.328 18374 5726 1 20 . 1 1 39 39 HIS H H 39 7.562 7.562 7.680 -0.118 18374 5727 1 20 . 1 1 40 40 PHE N N 40 117.157 117.157 117.113 0.044 18374 5728 1 20 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.917 -0.134 18374 5729 1 20 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.063 -2.404 18374 5730 1 20 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.622 0.185 18374 5731 1 20 . 1 1 40 40 PHE H H 40 8.282 8.282 8.307 -0.025 18374 5732 1 20 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.520 -0.033 18374 5733 1 20 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.781 -0.562 18374 5734 1 20 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.513 0.702 18374 5735 1 20 . 1 1 42 42 ALA N N 42 123.001 123.001 120.829 2.172 18374 5736 1 20 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.385 -0.027 18374 5737 1 20 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.990 1.023 18374 5738 1 20 . 1 1 42 42 ALA CB C 42 18.641 18.641 19.014 -0.373 18374 5739 1 20 . 1 1 42 42 ALA H H 42 8.635 8.635 8.163 0.472 18374 5740 1 20 . 1 1 43 43 GLY N N 43 108.291 108.291 107.409 0.882 18374 5741 1 20 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.819 0.647 18374 5742 1 20 . 1 1 43 43 GLY H H 43 8.529 8.529 7.879 0.650 18374 5743 1 20 . 1 1 44 44 THR N N 44 113.961 113.961 116.406 -2.445 18374 5744 1 20 . 1 1 44 44 THR HA H 44 4.424 4.424 4.309 0.115 18374 5745 1 20 . 1 1 44 44 THR CA C 44 62.074 62.074 62.911 -0.837 18374 5746 1 20 . 1 1 44 44 THR CB C 44 70.259 70.259 69.470 0.789 18374 5747 1 20 . 1 1 44 44 THR H H 44 7.971 7.971 7.896 0.075 18374 5748 1 20 . 1 1 45 45 SER N N 45 120.467 120.467 118.464 2.003 18374 5749 1 20 . 1 1 45 45 SER HA H 45 4.280 4.280 4.560 -0.280 18374 5750 1 20 . 1 1 45 45 SER CA C 45 58.274 58.274 57.717 0.557 18374 5751 1 20 . 1 1 45 45 SER CB C 45 63.906 63.906 64.169 -0.263 18374 5752 1 20 . 1 1 45 45 SER H H 45 8.644 8.644 8.507 0.137 18374 5753 1 20 . 1 1 46 46 ARG N N 46 124.196 124.196 126.002 -1.806 18374 5754 1 20 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.201 0.719 18374 5755 1 20 . 1 1 46 46 ARG CA C 46 53.152 53.152 52.695 0.457 18374 5756 1 20 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.528 -0.626 18374 5757 1 20 . 1 1 46 46 ARG H H 46 8.197 8.197 8.162 0.035 18374 5758 1 20 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.412 -0.114 18374 5759 1 20 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.203 0.615 18374 5760 1 20 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.375 -0.189 18374 5761 1 20 . 1 1 48 48 GLY N N 48 108.071 108.071 108.536 -0.465 18374 5762 1 20 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.180 0.499 18374 5763 1 20 . 1 1 48 48 GLY H H 48 8.492 8.492 8.530 -0.038 18374 5764 1 20 . 1 1 49 49 THR N N 49 111.151 111.151 113.740 -2.589 18374 5765 1 20 . 1 1 49 49 THR HA H 49 4.377 4.377 4.304 0.073 18374 5766 1 20 . 1 1 49 49 THR CA C 49 60.690 60.690 62.295 -1.605 18374 5767 1 20 . 1 1 49 49 THR CB C 49 70.332 70.332 69.527 0.805 18374 5768 1 20 . 1 1 49 49 THR H H 49 7.669 7.669 7.575 0.094 18374 5769 1 20 . 1 1 50 50 GLY N N 50 110.491 110.491 110.662 -0.171 18374 5770 1 20 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.511 1.670 18374 5771 1 20 . 1 1 50 50 GLY H H 50 8.459 8.459 7.968 0.491 18374 5772 1 20 . 1 1 51 51 LEU N N 51 121.407 121.407 124.546 -3.139 18374 5773 1 20 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.504 -0.222 18374 5774 1 20 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.936 1.432 18374 5775 1 20 . 1 1 51 51 LEU CB C 51 42.819 42.819 43.019 -0.200 18374 5776 1 20 . 1 1 51 51 LEU H H 51 8.248 8.248 8.573 -0.325 18374 5777 1 20 . 1 1 52 52 ARG N N 52 124.997 124.997 125.172 -0.175 18374 5778 1 20 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.701 1.146 18374 5779 1 20 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.807 -0.676 18374 5780 1 20 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.529 2.456 18374 5781 1 20 . 1 1 52 52 ARG H H 52 8.639 8.639 8.538 0.101 18374 5782 1 20 . 1 1 53 53 CYS N N 53 120.743 120.743 123.480 -2.737 18374 5783 1 20 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.435 -0.942 18374 5784 1 20 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.928 0.276 18374 5785 1 20 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.370 1.409 18374 5786 1 20 . 1 1 53 53 CYS H H 53 8.933 8.933 8.610 0.323 18374 5787 1 20 . 1 1 54 54 ARG N N 54 121.407 121.407 120.147 1.260 18374 5788 1 20 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.923 -0.113 18374 5789 1 20 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.431 -0.044 18374 5790 1 20 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.656 -0.773 18374 5791 1 20 . 1 1 54 54 ARG H H 54 10.380 10.380 8.543 1.837 18374 5792 1 20 . 1 1 55 55 SER N N 55 117.300 117.300 115.989 1.311 18374 5793 1 20 . 1 1 55 55 SER HA H 55 4.258 4.258 4.227 0.031 18374 5794 1 20 . 1 1 55 55 SER CA C 55 61.216 61.216 61.211 0.005 18374 5795 1 20 . 1 1 55 55 SER CB C 55 62.830 62.830 63.144 -0.313 18374 5796 1 20 . 1 1 55 55 SER H H 55 8.228 8.228 8.015 0.213 18374 5797 1 20 . 1 1 56 56 CYS N N 56 122.602 122.602 120.228 2.374 18374 5798 1 20 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.414 -0.228 18374 5799 1 20 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.227 0.015 18374 5800 1 20 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.031 3.885 18374 5801 1 20 . 1 1 56 56 CYS H H 56 7.999 7.999 7.758 0.241 18374 5802 1 20 . 1 1 57 57 SER N N 57 115.430 115.430 114.844 0.586 18374 5803 1 20 . 1 1 57 57 SER HA H 57 4.266 4.266 4.366 -0.100 18374 5804 1 20 . 1 1 57 57 SER CA C 57 59.992 59.992 59.427 0.565 18374 5805 1 20 . 1 1 57 57 SER CB C 57 63.492 63.492 63.087 0.405 18374 5806 1 20 . 1 1 57 57 SER H H 57 7.938 7.938 8.216 -0.278 18374 5807 1 20 . 1 1 58 58 GLY N N 58 109.391 109.391 108.402 0.989 18374 5808 1 20 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.768 0.658 18374 5809 1 20 . 1 1 58 58 GLY H H 58 8.013 8.013 7.319 0.694 18374 5810 1 20 . 1 1 59 59 ASP N N 59 120.345 120.345 121.528 -1.183 18374 5811 1 20 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.767 -0.176 18374 5812 1 20 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.757 0.535 18374 5813 1 20 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.294 -1.211 18374 5814 1 20 . 1 1 59 59 ASP H H 59 8.130 8.130 7.997 0.133 18374 5815 1 20 . 1 1 60 60 VAL N N 60 119.548 119.548 124.911 -5.363 18374 5816 1 20 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.460 -0.302 18374 5817 1 20 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.512 0.403 18374 5818 1 20 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.001 -1.486 18374 5819 1 20 . 1 1 60 60 VAL H H 60 8.072 8.072 8.436 -0.364 18374 5820 1 20 . 1 1 61 61 THR N N 61 121.407 121.407 122.715 -1.308 18374 5821 1 20 . 1 1 61 61 THR HA H 61 4.509 4.509 4.651 -0.142 18374 5822 1 20 . 1 1 61 61 THR CA C 61 59.848 59.848 59.770 0.078 18374 5823 1 20 . 1 1 61 61 THR CB C 61 69.602 69.602 69.052 0.550 18374 5824 1 20 . 1 1 61 61 THR H H 61 8.335 8.335 8.212 0.123 18374 5825 1 20 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.538 -0.176 18374 5826 1 20 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.942 -0.039 18374 5827 1 20 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.520 -0.572 18374 5828 1 20 . 1 1 63 63 ALA N N 63 125.923 125.923 128.189 -2.266 18374 5829 1 20 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.503 0.035 18374 5830 1 20 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.344 -0.076 18374 5831 1 20 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.137 -1.437 18374 5832 1 20 . 1 1 63 63 ALA H H 63 8.368 8.368 8.448 -0.080 18374 5833 1 20 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.491 -0.081 18374 5834 1 20 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.758 0.139 18374 5835 1 20 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.281 1.643 18374 5836 1 20 . 1 1 65 65 VAL N N 65 120.526 120.526 122.541 -2.015 18374 5837 1 20 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.160 -0.087 18374 5838 1 20 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.316 0.010 18374 5839 1 20 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.227 -0.147 18374 5840 1 20 . 1 1 65 65 VAL H H 65 8.270 8.270 8.071 0.199 18374 5841 1 21 . 1 1 2 2 ALA N N 2 123.688 123.688 121.231 2.457 18374 5842 1 21 . 1 1 2 2 ALA HA H 2 4.298 4.298 3.968 0.330 18374 5843 1 21 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.459 -0.749 18374 5844 1 21 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.009 1.226 18374 5845 1 21 . 1 1 2 2 ALA H H 2 8.653 8.653 8.586 0.067 18374 5846 1 21 . 1 1 3 3 MET N N 3 119.289 119.289 119.084 0.205 18374 5847 1 21 . 1 1 3 3 MET HA H 3 4.426 4.426 4.622 -0.196 18374 5848 1 21 . 1 1 3 3 MET CA C 3 55.430 55.430 54.418 1.012 18374 5849 1 21 . 1 1 3 3 MET CB C 3 32.532 32.532 33.738 -1.206 18374 5850 1 21 . 1 1 3 3 MET H H 3 8.545 8.545 7.844 0.701 18374 5851 1 21 . 1 1 4 4 GLU N N 4 122.149 122.149 125.363 -3.214 18374 5852 1 21 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.089 0.155 18374 5853 1 21 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.300 -0.269 18374 5854 1 21 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.662 0.344 18374 5855 1 21 . 1 1 4 4 GLU H H 4 8.440 8.440 8.747 -0.307 18374 5856 1 21 . 1 1 5 5 GLY N N 5 110.051 110.051 117.197 -7.146 18374 5857 1 21 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.170 0.238 18374 5858 1 21 . 1 1 5 5 GLY H H 5 8.500 8.500 8.609 -0.109 18374 5859 1 21 . 1 1 6 6 GLN N N 6 119.509 119.509 122.607 -3.098 18374 5860 1 21 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.271 0.015 18374 5861 1 21 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.125 -1.125 18374 5862 1 21 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.463 -0.255 18374 5863 1 21 . 1 1 6 6 GLN H H 6 8.242 8.242 8.557 -0.315 18374 5864 1 21 . 1 1 7 7 GLN N N 7 121.049 121.049 120.477 0.572 18374 5865 1 21 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.444 -0.183 18374 5866 1 21 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.035 1.069 18374 5867 1 21 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.104 1.101 18374 5868 1 21 . 1 1 7 7 GLN H H 7 8.534 8.534 7.777 0.757 18374 5869 1 21 . 1 1 8 8 ASN N N 8 119.289 119.289 122.548 -3.259 18374 5870 1 21 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.734 -0.089 18374 5871 1 21 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.431 0.676 18374 5872 1 21 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.692 0.827 18374 5873 1 21 . 1 1 8 8 ASN H H 8 8.486 8.486 8.425 0.061 18374 5874 1 21 . 1 1 9 9 LEU N N 9 122.204 122.204 123.466 -1.262 18374 5875 1 21 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.277 0.014 18374 5876 1 21 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.595 0.121 18374 5877 1 21 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.307 0.090 18374 5878 1 21 . 1 1 9 9 LEU H H 9 8.145 8.145 7.377 0.768 18374 5879 1 21 . 1 1 10 10 ALA N N 10 126.188 126.188 131.299 -5.111 18374 5880 1 21 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.748 -0.216 18374 5881 1 21 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.654 0.684 18374 5882 1 21 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.839 -1.046 18374 5883 1 21 . 1 1 10 10 ALA H H 10 8.324 8.324 8.482 -0.158 18374 5884 1 21 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.331 0.033 18374 5885 1 21 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.843 0.066 18374 5886 1 21 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.100 -0.231 18374 5887 1 21 . 1 1 12 12 GLY N N 12 108.951 108.951 105.490 3.461 18374 5888 1 21 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.991 0.230 18374 5889 1 21 . 1 1 12 12 GLY H H 12 8.501 8.501 8.150 0.351 18374 5890 1 21 . 1 1 13 13 ALA N N 13 123.134 123.134 124.522 -1.388 18374 5891 1 21 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.467 -0.233 18374 5892 1 21 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.583 0.526 18374 5893 1 21 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.671 1.854 18374 5894 1 21 . 1 1 13 13 ALA H H 13 7.957 7.957 7.555 0.402 18374 5895 1 21 . 1 1 14 14 ARG N N 14 116.759 116.759 121.374 -4.615 18374 5896 1 21 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.576 -0.457 18374 5897 1 21 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.988 -1.178 18374 5898 1 21 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.361 -1.908 18374 5899 1 21 . 1 1 14 14 ARG H H 14 7.990 7.990 7.598 0.392 18374 5900 1 21 . 1 1 15 15 CYS N N 15 123.688 123.688 125.254 -1.566 18374 5901 1 21 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.679 -0.662 18374 5902 1 21 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.797 0.313 18374 5903 1 21 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.539 4.518 18374 5904 1 21 . 1 1 15 15 CYS H H 15 7.646 7.646 8.409 -0.763 18374 5905 1 21 . 1 1 16 16 GLY N N 16 117.749 117.749 116.099 1.650 18374 5906 1 21 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.784 0.001 18374 5907 1 21 . 1 1 16 16 GLY H H 16 8.916 8.916 9.073 -0.157 18374 5908 1 21 . 1 1 17 17 VAL N N 17 122.602 122.602 121.734 0.868 18374 5909 1 21 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.902 0.112 18374 5910 1 21 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.858 0.173 18374 5911 1 21 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.111 0.730 18374 5912 1 21 . 1 1 17 17 VAL H H 17 8.856 8.856 8.072 0.784 18374 5913 1 21 . 1 1 18 18 CYS N N 18 115.430 115.430 114.395 1.035 18374 5914 1 21 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.939 -0.013 18374 5915 1 21 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.386 -0.207 18374 5916 1 21 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.579 1.032 18374 5917 1 21 . 1 1 18 18 CYS H H 18 7.758 7.758 8.105 -0.347 18374 5918 1 21 . 1 1 19 19 GLY N N 19 113.040 113.040 111.156 1.884 18374 5919 1 21 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.099 1.258 18374 5920 1 21 . 1 1 19 19 GLY H H 19 8.029 8.029 8.696 -0.667 18374 5921 1 21 . 1 1 20 20 ASP N N 20 123.399 123.399 121.321 2.078 18374 5922 1 21 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.992 0.015 18374 5923 1 21 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.910 -0.396 18374 5924 1 21 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.194 1.348 18374 5925 1 21 . 1 1 20 20 ASP H H 20 8.722 8.722 7.705 1.017 18374 5926 1 21 . 1 1 21 21 GLY N N 21 111.371 111.371 107.059 4.312 18374 5927 1 21 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.880 0.227 18374 5928 1 21 . 1 1 21 21 GLY H H 21 8.667 8.667 8.542 0.125 18374 5929 1 21 . 1 1 22 22 THR N N 22 118.220 118.220 114.959 3.261 18374 5930 1 21 . 1 1 22 22 THR HA H 22 3.979 3.979 4.266 -0.287 18374 5931 1 21 . 1 1 22 22 THR CA C 22 64.367 64.367 63.446 0.921 18374 5932 1 21 . 1 1 22 22 THR CB C 22 67.783 67.783 69.248 -1.465 18374 5933 1 21 . 1 1 22 22 THR H H 22 8.784 8.784 7.630 1.154 18374 5934 1 21 . 1 1 23 23 ASP N N 23 127.251 127.251 124.524 2.727 18374 5935 1 21 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.294 0.007 18374 5936 1 21 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.338 0.089 18374 5937 1 21 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.043 -1.004 18374 5938 1 21 . 1 1 23 23 ASP H H 23 9.376 9.376 8.809 0.567 18374 5939 1 21 . 1 1 24 24 VAL N N 24 111.371 111.371 117.489 -6.118 18374 5940 1 21 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.460 -0.900 18374 5941 1 21 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.845 0.871 18374 5942 1 21 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.219 -0.927 18374 5943 1 21 . 1 1 24 24 VAL H H 24 7.402 7.402 7.944 -0.542 18374 5944 1 21 . 1 1 25 25 LEU N N 25 123.908 123.908 127.725 -3.817 18374 5945 1 21 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.561 -0.222 18374 5946 1 21 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.782 -1.260 18374 5947 1 21 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.320 -0.878 18374 5948 1 21 . 1 1 25 25 LEU H H 25 8.328 8.328 8.732 -0.404 18374 5949 1 21 . 1 1 26 26 ARG N N 26 116.626 116.626 118.877 -2.251 18374 5950 1 21 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.536 -0.435 18374 5951 1 21 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.522 -0.867 18374 5952 1 21 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.196 -0.527 18374 5953 1 21 . 1 1 26 26 ARG H H 26 7.877 7.877 8.090 -0.213 18374 5954 1 21 . 1 1 27 27 CYS N N 27 126.328 126.328 121.679 4.649 18374 5955 1 21 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.009 -0.694 18374 5956 1 21 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.212 2.186 18374 5957 1 21 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.184 1.482 18374 5958 1 21 . 1 1 27 27 CYS H H 27 9.182 9.182 8.604 0.578 18374 5959 1 21 . 1 1 28 28 THR N N 28 122.470 122.470 120.820 1.650 18374 5960 1 21 . 1 1 28 28 THR HA H 28 4.166 4.166 4.371 -0.205 18374 5961 1 21 . 1 1 28 28 THR CA C 28 64.686 64.686 64.680 0.006 18374 5962 1 21 . 1 1 28 28 THR CB C 28 69.846 69.846 69.173 0.673 18374 5963 1 21 . 1 1 28 28 THR H H 28 8.956 8.956 8.979 -0.023 18374 5964 1 21 . 1 1 29 29 HIS N N 29 123.908 123.908 119.169 4.739 18374 5965 1 21 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.650 0.259 18374 5966 1 21 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.661 1.443 18374 5967 1 21 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.253 -0.708 18374 5968 1 21 . 1 1 29 29 HIS H H 29 9.464 9.464 8.446 1.018 18374 5969 1 21 . 1 1 30 30 CYS N N 30 119.946 119.946 115.340 4.606 18374 5970 1 21 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.901 -0.090 18374 5971 1 21 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.165 2.925 18374 5972 1 21 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.109 1.789 18374 5973 1 21 . 1 1 30 30 CYS H H 30 8.710 8.710 7.828 0.882 18374 5974 1 21 . 1 1 31 31 ALA N N 31 120.477 120.477 124.196 -3.719 18374 5975 1 21 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.584 -0.300 18374 5976 1 21 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.825 2.665 18374 5977 1 21 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.944 -1.526 18374 5978 1 21 . 1 1 31 31 ALA H H 31 7.626 7.626 8.507 -0.881 18374 5979 1 21 . 1 1 32 32 ALA N N 32 125.524 125.524 125.479 0.045 18374 5980 1 21 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.552 -0.306 18374 5981 1 21 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.568 1.272 18374 5982 1 21 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.811 -1.477 18374 5983 1 21 . 1 1 32 32 ALA H H 32 9.152 9.152 8.353 0.799 18374 5984 1 21 . 1 1 33 33 ALA N N 33 123.257 123.257 126.655 -3.398 18374 5985 1 21 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.772 -0.362 18374 5986 1 21 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.330 -0.524 18374 5987 1 21 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.860 -0.232 18374 5988 1 21 . 1 1 33 33 ALA H H 33 8.490 8.490 8.696 -0.206 18374 5989 1 21 . 1 1 34 34 PHE N N 34 118.220 118.220 120.656 -2.436 18374 5990 1 21 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.676 0.398 18374 5991 1 21 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.357 -0.595 18374 5992 1 21 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.622 -1.400 18374 5993 1 21 . 1 1 34 34 PHE H H 34 8.948 8.948 8.625 0.323 18374 5994 1 21 . 1 1 35 35 HIS N N 35 116.759 116.759 119.879 -3.120 18374 5995 1 21 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.840 0.046 18374 5996 1 21 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.401 1.737 18374 5997 1 21 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.130 -0.107 18374 5998 1 21 . 1 1 35 35 HIS H H 35 7.932 7.932 7.915 0.017 18374 5999 1 21 . 1 1 36 36 TRP N N 36 127.649 127.649 127.592 0.057 18374 6000 1 21 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.669 -0.231 18374 6001 1 21 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.206 0.167 18374 6002 1 21 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.859 -0.535 18374 6003 1 21 . 1 1 36 36 TRP H H 36 9.421 9.421 8.997 0.424 18374 6004 1 21 . 1 1 37 37 ARG N N 37 113.040 113.040 115.927 -2.887 18374 6005 1 21 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.192 0.212 18374 6006 1 21 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.013 -1.540 18374 6007 1 21 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.674 -0.507 18374 6008 1 21 . 1 1 37 37 ARG H H 37 9.075 9.075 8.410 0.665 18374 6009 1 21 . 1 1 38 38 CYS N N 38 116.493 116.493 115.711 0.782 18374 6010 1 21 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.504 -0.286 18374 6011 1 21 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.921 1.538 18374 6012 1 21 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.662 3.014 18374 6013 1 21 . 1 1 38 38 CYS H H 38 7.169 7.169 7.769 -0.600 18374 6014 1 21 . 1 1 39 39 HIS N N 39 118.220 118.220 117.156 1.064 18374 6015 1 21 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.320 -0.097 18374 6016 1 21 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.696 0.780 18374 6017 1 21 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.419 3.921 18374 6018 1 21 . 1 1 39 39 HIS H H 39 7.562 7.562 7.685 -0.123 18374 6019 1 21 . 1 1 40 40 PHE N N 40 117.157 117.157 116.280 0.877 18374 6020 1 21 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.791 -0.008 18374 6021 1 21 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.299 -2.640 18374 6022 1 21 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.757 0.050 18374 6023 1 21 . 1 1 40 40 PHE H H 40 8.282 8.282 8.104 0.178 18374 6024 1 21 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.695 -0.208 18374 6025 1 21 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.140 0.079 18374 6026 1 21 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.387 0.828 18374 6027 1 21 . 1 1 42 42 ALA N N 42 123.001 123.001 121.569 1.432 18374 6028 1 21 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.392 -0.034 18374 6029 1 21 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.897 1.116 18374 6030 1 21 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.801 -0.160 18374 6031 1 21 . 1 1 42 42 ALA H H 42 8.635 8.635 8.229 0.406 18374 6032 1 21 . 1 1 43 43 GLY N N 43 108.291 108.291 107.423 0.868 18374 6033 1 21 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.799 0.667 18374 6034 1 21 . 1 1 43 43 GLY H H 43 8.529 8.529 8.218 0.311 18374 6035 1 21 . 1 1 44 44 THR N N 44 113.961 113.961 118.131 -4.170 18374 6036 1 21 . 1 1 44 44 THR HA H 44 4.424 4.424 4.399 0.025 18374 6037 1 21 . 1 1 44 44 THR CA C 44 62.074 62.074 62.773 -0.699 18374 6038 1 21 . 1 1 44 44 THR CB C 44 70.259 70.259 69.476 0.783 18374 6039 1 21 . 1 1 44 44 THR H H 44 7.971 7.971 7.818 0.153 18374 6040 1 21 . 1 1 45 45 SER N N 45 120.467 120.467 121.797 -1.330 18374 6041 1 21 . 1 1 45 45 SER HA H 45 4.280 4.280 4.641 -0.361 18374 6042 1 21 . 1 1 45 45 SER CA C 45 58.274 58.274 58.028 0.246 18374 6043 1 21 . 1 1 45 45 SER CB C 45 63.906 63.906 64.168 -0.262 18374 6044 1 21 . 1 1 45 45 SER H H 45 8.644 8.644 8.623 0.021 18374 6045 1 21 . 1 1 46 46 ARG N N 46 124.196 124.196 124.134 0.062 18374 6046 1 21 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.006 0.914 18374 6047 1 21 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.551 -0.399 18374 6048 1 21 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.585 1.317 18374 6049 1 21 . 1 1 46 46 ARG H H 46 8.197 8.197 8.017 0.180 18374 6050 1 21 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.347 -0.049 18374 6051 1 21 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.192 0.626 18374 6052 1 21 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.459 -0.273 18374 6053 1 21 . 1 1 48 48 GLY N N 48 108.071 108.071 106.857 1.214 18374 6054 1 21 . 1 1 48 48 GLY CA C 48 45.679 45.679 44.945 0.734 18374 6055 1 21 . 1 1 48 48 GLY H H 48 8.492 8.492 8.403 0.089 18374 6056 1 21 . 1 1 49 49 THR N N 49 111.151 111.151 111.671 -0.520 18374 6057 1 21 . 1 1 49 49 THR HA H 49 4.377 4.377 4.414 -0.037 18374 6058 1 21 . 1 1 49 49 THR CA C 49 60.690 60.690 60.755 -0.066 18374 6059 1 21 . 1 1 49 49 THR CB C 49 70.332 70.332 68.731 1.601 18374 6060 1 21 . 1 1 49 49 THR H H 49 7.669 7.669 7.547 0.122 18374 6061 1 21 . 1 1 50 50 GLY N N 50 110.491 110.491 109.127 1.364 18374 6062 1 21 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.507 1.674 18374 6063 1 21 . 1 1 50 50 GLY H H 50 8.459 8.459 7.630 0.829 18374 6064 1 21 . 1 1 51 51 LEU N N 51 121.407 121.407 122.712 -1.305 18374 6065 1 21 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.273 0.009 18374 6066 1 21 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.021 1.347 18374 6067 1 21 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.282 0.537 18374 6068 1 21 . 1 1 51 51 LEU H H 51 8.248 8.248 8.398 -0.150 18374 6069 1 21 . 1 1 52 52 ARG N N 52 124.997 124.997 125.784 -0.787 18374 6070 1 21 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.754 1.093 18374 6071 1 21 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.839 -0.708 18374 6072 1 21 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.769 2.216 18374 6073 1 21 . 1 1 52 52 ARG H H 52 8.639 8.639 8.414 0.225 18374 6074 1 21 . 1 1 53 53 CYS N N 53 120.743 120.743 121.952 -1.209 18374 6075 1 21 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.689 -1.196 18374 6076 1 21 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.168 0.036 18374 6077 1 21 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.333 0.446 18374 6078 1 21 . 1 1 53 53 CYS H H 53 8.933 8.933 8.542 0.391 18374 6079 1 21 . 1 1 54 54 ARG N N 54 121.407 121.407 120.741 0.666 18374 6080 1 21 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.224 -0.414 18374 6081 1 21 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.312 0.075 18374 6082 1 21 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.564 -0.681 18374 6083 1 21 . 1 1 54 54 ARG H H 54 10.380 10.380 8.862 1.518 18374 6084 1 21 . 1 1 55 55 SER N N 55 117.300 117.300 114.994 2.306 18374 6085 1 21 . 1 1 55 55 SER HA H 55 4.258 4.258 4.363 -0.105 18374 6086 1 21 . 1 1 55 55 SER CA C 55 61.216 61.216 61.212 0.004 18374 6087 1 21 . 1 1 55 55 SER CB C 55 62.830 62.830 62.973 -0.143 18374 6088 1 21 . 1 1 55 55 SER H H 55 8.228 8.228 8.098 0.130 18374 6089 1 21 . 1 1 56 56 CYS N N 56 122.602 122.602 118.392 4.210 18374 6090 1 21 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.263 -0.077 18374 6091 1 21 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.910 0.332 18374 6092 1 21 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.232 3.684 18374 6093 1 21 . 1 1 56 56 CYS H H 56 7.999 7.999 7.684 0.315 18374 6094 1 21 . 1 1 57 57 SER N N 57 115.430 115.430 112.905 2.525 18374 6095 1 21 . 1 1 57 57 SER HA H 57 4.266 4.266 4.421 -0.155 18374 6096 1 21 . 1 1 57 57 SER CA C 57 59.992 59.992 59.126 0.866 18374 6097 1 21 . 1 1 57 57 SER CB C 57 63.492 63.492 63.479 0.013 18374 6098 1 21 . 1 1 57 57 SER H H 57 7.938 7.938 7.948 -0.010 18374 6099 1 21 . 1 1 58 58 GLY N N 58 109.391 109.391 110.053 -0.662 18374 6100 1 21 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.698 0.728 18374 6101 1 21 . 1 1 58 58 GLY H H 58 8.013 8.013 7.724 0.289 18374 6102 1 21 . 1 1 59 59 ASP N N 59 120.345 120.345 121.395 -1.050 18374 6103 1 21 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.804 -0.213 18374 6104 1 21 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.089 1.203 18374 6105 1 21 . 1 1 59 59 ASP CB C 59 41.083 41.083 43.404 -2.321 18374 6106 1 21 . 1 1 59 59 ASP H H 59 8.130 8.130 8.241 -0.111 18374 6107 1 21 . 1 1 60 60 VAL N N 60 119.548 119.548 119.175 0.373 18374 6108 1 21 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.345 -0.187 18374 6109 1 21 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.750 0.165 18374 6110 1 21 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.062 -0.547 18374 6111 1 21 . 1 1 60 60 VAL H H 60 8.072 8.072 8.373 -0.301 18374 6112 1 21 . 1 1 61 61 THR N N 61 121.407 121.407 120.326 1.081 18374 6113 1 21 . 1 1 61 61 THR HA H 61 4.509 4.509 4.652 -0.143 18374 6114 1 21 . 1 1 61 61 THR CA C 61 59.848 59.848 59.309 0.539 18374 6115 1 21 . 1 1 61 61 THR CB C 61 69.602 69.602 68.981 0.621 18374 6116 1 21 . 1 1 61 61 THR H H 61 8.335 8.335 8.277 0.058 18374 6117 1 21 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.358 0.004 18374 6118 1 21 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.612 0.291 18374 6119 1 21 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.205 -0.256 18374 6120 1 21 . 1 1 63 63 ALA N N 63 125.923 125.923 126.128 -0.205 18374 6121 1 21 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.402 0.136 18374 6122 1 21 . 1 1 63 63 ALA CA C 63 50.268 50.268 51.102 -0.834 18374 6123 1 21 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.290 -0.590 18374 6124 1 21 . 1 1 63 63 ALA H H 63 8.368 8.368 8.158 0.210 18374 6125 1 21 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.395 0.015 18374 6126 1 21 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.719 0.178 18374 6127 1 21 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.452 -0.528 18374 6128 1 21 . 1 1 65 65 VAL N N 65 120.526 120.526 119.584 0.942 18374 6129 1 21 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.317 -0.244 18374 6130 1 21 . 1 1 65 65 VAL CA C 65 62.326 62.326 63.180 -0.854 18374 6131 1 21 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.020 0.060 18374 6132 1 21 . 1 1 65 65 VAL H H 65 8.270 8.270 8.329 -0.059 18374 6133 1 22 . 1 1 2 2 ALA N N 2 123.688 123.688 122.563 1.125 18374 6134 1 22 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.078 0.220 18374 6135 1 22 . 1 1 2 2 ALA CA C 2 52.710 52.710 54.889 -2.179 18374 6136 1 22 . 1 1 2 2 ALA CB C 2 19.235 19.235 17.334 1.901 18374 6137 1 22 . 1 1 2 2 ALA H H 2 8.653 8.653 8.532 0.121 18374 6138 1 22 . 1 1 3 3 MET N N 3 119.289 119.289 116.253 3.036 18374 6139 1 22 . 1 1 3 3 MET HA H 3 4.426 4.426 4.588 -0.162 18374 6140 1 22 . 1 1 3 3 MET CA C 3 55.430 55.430 55.874 -0.444 18374 6141 1 22 . 1 1 3 3 MET CB C 3 32.532 32.532 33.727 -1.195 18374 6142 1 22 . 1 1 3 3 MET H H 3 8.545 8.545 8.031 0.514 18374 6143 1 22 . 1 1 4 4 GLU N N 4 122.149 122.149 122.636 -0.487 18374 6144 1 22 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.389 -0.145 18374 6145 1 22 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.760 1.271 18374 6146 1 22 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.561 2.445 18374 6147 1 22 . 1 1 4 4 GLU H H 4 8.440 8.440 8.556 -0.116 18374 6148 1 22 . 1 1 5 5 GLY N N 5 110.051 110.051 109.622 0.429 18374 6149 1 22 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.400 -0.992 18374 6150 1 22 . 1 1 5 5 GLY H H 5 8.500 8.500 8.236 0.264 18374 6151 1 22 . 1 1 6 6 GLN N N 6 119.509 119.509 119.318 0.191 18374 6152 1 22 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.152 0.134 18374 6153 1 22 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.926 0.074 18374 6154 1 22 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.879 0.329 18374 6155 1 22 . 1 1 6 6 GLN H H 6 8.242 8.242 8.176 0.066 18374 6156 1 22 . 1 1 7 7 GLN N N 7 121.049 121.049 117.195 3.854 18374 6157 1 22 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.088 0.173 18374 6158 1 22 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.152 -0.048 18374 6159 1 22 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.995 1.208 18374 6160 1 22 . 1 1 7 7 GLN H H 7 8.534 8.534 8.323 0.211 18374 6161 1 22 . 1 1 8 8 ASN N N 8 119.289 119.289 116.881 2.408 18374 6162 1 22 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.762 -0.117 18374 6163 1 22 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.109 -0.003 18374 6164 1 22 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.225 -0.706 18374 6165 1 22 . 1 1 8 8 ASN H H 8 8.486 8.486 8.355 0.131 18374 6166 1 22 . 1 1 9 9 LEU N N 9 122.204 122.204 123.179 -0.975 18374 6167 1 22 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.541 -0.250 18374 6168 1 22 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.607 1.109 18374 6169 1 22 . 1 1 9 9 LEU CB C 9 42.397 42.397 39.324 3.073 18374 6170 1 22 . 1 1 9 9 LEU H H 9 8.145 8.145 8.096 0.049 18374 6171 1 22 . 1 1 10 10 ALA N N 10 126.188 126.188 125.050 1.138 18374 6172 1 22 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.495 0.037 18374 6173 1 22 . 1 1 10 10 ALA CA C 10 50.337 50.337 51.238 -0.901 18374 6174 1 22 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.826 -1.033 18374 6175 1 22 . 1 1 10 10 ALA H H 10 8.324 8.324 7.511 0.813 18374 6176 1 22 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.360 0.004 18374 6177 1 22 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.576 0.332 18374 6178 1 22 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.328 -0.459 18374 6179 1 22 . 1 1 12 12 GLY N N 12 108.951 108.951 107.870 1.081 18374 6180 1 22 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.312 0.909 18374 6181 1 22 . 1 1 12 12 GLY H H 12 8.501 8.501 8.073 0.428 18374 6182 1 22 . 1 1 13 13 ALA N N 13 123.134 123.134 124.785 -1.651 18374 6183 1 22 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.313 -0.079 18374 6184 1 22 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.170 -0.061 18374 6185 1 22 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.072 1.453 18374 6186 1 22 . 1 1 13 13 ALA H H 13 7.957 7.957 8.357 -0.400 18374 6187 1 22 . 1 1 14 14 ARG N N 14 116.759 116.759 120.854 -4.095 18374 6188 1 22 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.466 -0.347 18374 6189 1 22 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.630 -1.820 18374 6190 1 22 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.813 -1.360 18374 6191 1 22 . 1 1 14 14 ARG H H 14 7.990 7.990 8.012 -0.022 18374 6192 1 22 . 1 1 15 15 CYS N N 15 123.688 123.688 124.570 -0.882 18374 6193 1 22 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.553 -0.536 18374 6194 1 22 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.181 -0.071 18374 6195 1 22 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.444 4.613 18374 6196 1 22 . 1 1 15 15 CYS H H 15 7.646 7.646 8.613 -0.967 18374 6197 1 22 . 1 1 16 16 GLY N N 16 117.749 117.749 116.246 1.503 18374 6198 1 22 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.562 0.223 18374 6199 1 22 . 1 1 16 16 GLY H H 16 8.916 8.916 8.971 -0.055 18374 6200 1 22 . 1 1 17 17 VAL N N 17 122.602 122.602 121.578 1.024 18374 6201 1 22 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.915 0.099 18374 6202 1 22 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.846 0.185 18374 6203 1 22 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.106 0.734 18374 6204 1 22 . 1 1 17 17 VAL H H 17 8.856 8.856 7.955 0.901 18374 6205 1 22 . 1 1 18 18 CYS N N 18 115.430 115.430 114.321 1.109 18374 6206 1 22 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.946 -0.020 18374 6207 1 22 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.413 -0.234 18374 6208 1 22 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.836 0.775 18374 6209 1 22 . 1 1 18 18 CYS H H 18 7.758 7.758 8.141 -0.383 18374 6210 1 22 . 1 1 19 19 GLY N N 19 113.040 113.040 111.140 1.900 18374 6211 1 22 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.866 1.491 18374 6212 1 22 . 1 1 19 19 GLY H H 19 8.029 8.029 8.514 -0.485 18374 6213 1 22 . 1 1 20 20 ASP N N 20 123.399 123.399 120.868 2.531 18374 6214 1 22 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.793 0.214 18374 6215 1 22 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.124 0.390 18374 6216 1 22 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.089 1.453 18374 6217 1 22 . 1 1 20 20 ASP H H 20 8.722 8.722 7.691 1.031 18374 6218 1 22 . 1 1 21 21 GLY N N 21 111.371 111.371 109.228 2.143 18374 6219 1 22 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.692 0.415 18374 6220 1 22 . 1 1 21 21 GLY H H 21 8.667 8.667 8.530 0.137 18374 6221 1 22 . 1 1 22 22 THR N N 22 118.220 118.220 117.678 0.542 18374 6222 1 22 . 1 1 22 22 THR HA H 22 3.979 3.979 4.310 -0.331 18374 6223 1 22 . 1 1 22 22 THR CA C 22 64.367 64.367 63.807 0.560 18374 6224 1 22 . 1 1 22 22 THR CB C 22 67.783 67.783 69.347 -1.564 18374 6225 1 22 . 1 1 22 22 THR H H 22 8.784 8.784 7.870 0.914 18374 6226 1 22 . 1 1 23 23 ASP N N 23 127.251 127.251 124.069 3.182 18374 6227 1 22 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.293 0.008 18374 6228 1 22 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.024 0.403 18374 6229 1 22 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.433 -1.394 18374 6230 1 22 . 1 1 23 23 ASP H H 23 9.376 9.376 8.865 0.511 18374 6231 1 22 . 1 1 24 24 VAL N N 24 111.371 111.371 113.586 -2.215 18374 6232 1 22 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.499 -0.939 18374 6233 1 22 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.126 0.590 18374 6234 1 22 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.189 0.103 18374 6235 1 22 . 1 1 24 24 VAL H H 24 7.402 7.402 7.927 -0.525 18374 6236 1 22 . 1 1 25 25 LEU N N 25 123.908 123.908 127.681 -3.773 18374 6237 1 22 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.487 -0.148 18374 6238 1 22 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.156 -1.633 18374 6239 1 22 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.839 -0.397 18374 6240 1 22 . 1 1 25 25 LEU H H 25 8.328 8.328 8.854 -0.526 18374 6241 1 22 . 1 1 26 26 ARG N N 26 116.626 116.626 119.009 -2.383 18374 6242 1 22 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.339 -0.238 18374 6243 1 22 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.353 -0.698 18374 6244 1 22 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.298 0.370 18374 6245 1 22 . 1 1 26 26 ARG H H 26 7.877 7.877 8.240 -0.363 18374 6246 1 22 . 1 1 27 27 CYS N N 27 126.328 126.328 124.713 1.615 18374 6247 1 22 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.710 -0.395 18374 6248 1 22 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.476 0.922 18374 6249 1 22 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.755 1.912 18374 6250 1 22 . 1 1 27 27 CYS H H 27 9.182 9.182 8.546 0.636 18374 6251 1 22 . 1 1 28 28 THR N N 28 122.470 122.470 122.078 0.392 18374 6252 1 22 . 1 1 28 28 THR HA H 28 4.166 4.166 4.445 -0.279 18374 6253 1 22 . 1 1 28 28 THR CA C 28 64.686 64.686 64.107 0.579 18374 6254 1 22 . 1 1 28 28 THR CB C 28 69.846 69.846 69.096 0.750 18374 6255 1 22 . 1 1 28 28 THR H H 28 8.956 8.956 9.010 -0.054 18374 6256 1 22 . 1 1 29 29 HIS N N 29 123.908 123.908 119.664 4.244 18374 6257 1 22 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.585 0.324 18374 6258 1 22 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.295 0.809 18374 6259 1 22 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.997 -0.452 18374 6260 1 22 . 1 1 29 29 HIS H H 29 9.464 9.464 8.512 0.952 18374 6261 1 22 . 1 1 30 30 CYS N N 30 119.946 119.946 114.731 5.215 18374 6262 1 22 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.774 0.037 18374 6263 1 22 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.709 2.381 18374 6264 1 22 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.571 2.327 18374 6265 1 22 . 1 1 30 30 CYS H H 30 8.710 8.710 7.828 0.882 18374 6266 1 22 . 1 1 31 31 ALA N N 31 120.477 120.477 124.771 -4.294 18374 6267 1 22 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.508 -0.224 18374 6268 1 22 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.836 2.654 18374 6269 1 22 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.962 -1.544 18374 6270 1 22 . 1 1 31 31 ALA H H 31 7.626 7.626 8.334 -0.708 18374 6271 1 22 . 1 1 32 32 ALA N N 32 125.524 125.524 125.281 0.243 18374 6272 1 22 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.560 -0.314 18374 6273 1 22 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.565 1.276 18374 6274 1 22 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.849 -1.515 18374 6275 1 22 . 1 1 32 32 ALA H H 32 9.152 9.152 8.328 0.824 18374 6276 1 22 . 1 1 33 33 ALA N N 33 123.257 123.257 125.965 -2.708 18374 6277 1 22 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.854 -0.444 18374 6278 1 22 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.199 -0.393 18374 6279 1 22 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.574 -0.946 18374 6280 1 22 . 1 1 33 33 ALA H H 33 8.490 8.490 8.679 -0.189 18374 6281 1 22 . 1 1 34 34 PHE N N 34 118.220 118.220 119.860 -1.640 18374 6282 1 22 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.729 0.345 18374 6283 1 22 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.725 -0.963 18374 6284 1 22 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.657 -1.435 18374 6285 1 22 . 1 1 34 34 PHE H H 34 8.948 8.948 8.454 0.494 18374 6286 1 22 . 1 1 35 35 HIS N N 35 116.759 116.759 120.182 -3.423 18374 6287 1 22 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.917 -0.031 18374 6288 1 22 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.522 1.616 18374 6289 1 22 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.677 0.346 18374 6290 1 22 . 1 1 35 35 HIS H H 35 7.932 7.932 8.178 -0.246 18374 6291 1 22 . 1 1 36 36 TRP N N 36 127.649 127.649 127.784 -0.135 18374 6292 1 22 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.675 -0.237 18374 6293 1 22 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.045 0.328 18374 6294 1 22 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.916 -0.592 18374 6295 1 22 . 1 1 36 36 TRP H H 36 9.421 9.421 9.101 0.320 18374 6296 1 22 . 1 1 37 37 ARG N N 37 113.040 113.040 115.272 -2.232 18374 6297 1 22 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.378 0.026 18374 6298 1 22 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.695 -1.222 18374 6299 1 22 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.775 -0.608 18374 6300 1 22 . 1 1 37 37 ARG H H 37 9.075 9.075 8.557 0.518 18374 6301 1 22 . 1 1 38 38 CYS N N 38 116.493 116.493 115.710 0.783 18374 6302 1 22 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.596 -0.378 18374 6303 1 22 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.953 2.506 18374 6304 1 22 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.062 2.614 18374 6305 1 22 . 1 1 38 38 CYS H H 38 7.169 7.169 7.865 -0.696 18374 6306 1 22 . 1 1 39 39 HIS N N 39 118.220 118.220 117.711 0.509 18374 6307 1 22 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.364 -0.141 18374 6308 1 22 . 1 1 39 39 HIS CA C 39 58.476 58.476 58.264 0.212 18374 6309 1 22 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.443 3.897 18374 6310 1 22 . 1 1 39 39 HIS H H 39 7.562 7.562 7.664 -0.102 18374 6311 1 22 . 1 1 40 40 PHE N N 40 117.157 117.157 117.527 -0.370 18374 6312 1 22 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.688 0.095 18374 6313 1 22 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.445 -2.786 18374 6314 1 22 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.690 -0.883 18374 6315 1 22 . 1 1 40 40 PHE H H 40 8.282 8.282 8.072 0.210 18374 6316 1 22 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.590 -0.103 18374 6317 1 22 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.662 0.557 18374 6318 1 22 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.419 -0.204 18374 6319 1 22 . 1 1 42 42 ALA N N 42 123.001 123.001 122.948 0.053 18374 6320 1 22 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.250 0.108 18374 6321 1 22 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.300 -1.287 18374 6322 1 22 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.781 -0.140 18374 6323 1 22 . 1 1 42 42 ALA H H 42 8.635 8.635 8.475 0.160 18374 6324 1 22 . 1 1 43 43 GLY N N 43 108.291 108.291 104.814 3.477 18374 6325 1 22 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.048 0.418 18374 6326 1 22 . 1 1 43 43 GLY H H 43 8.529 8.529 8.273 0.256 18374 6327 1 22 . 1 1 44 44 THR N N 44 113.961 113.961 119.091 -5.130 18374 6328 1 22 . 1 1 44 44 THR HA H 44 4.424 4.424 4.501 -0.077 18374 6329 1 22 . 1 1 44 44 THR CA C 44 62.074 62.074 62.145 -0.071 18374 6330 1 22 . 1 1 44 44 THR CB C 44 70.259 70.259 69.790 0.469 18374 6331 1 22 . 1 1 44 44 THR H H 44 7.971 7.971 7.731 0.240 18374 6332 1 22 . 1 1 45 45 SER N N 45 120.467 120.467 121.980 -1.513 18374 6333 1 22 . 1 1 45 45 SER HA H 45 4.280 4.280 4.593 -0.313 18374 6334 1 22 . 1 1 45 45 SER CA C 45 58.274 58.274 57.924 0.350 18374 6335 1 22 . 1 1 45 45 SER CB C 45 63.906 63.906 63.946 -0.040 18374 6336 1 22 . 1 1 45 45 SER H H 45 8.644 8.644 8.688 -0.044 18374 6337 1 22 . 1 1 46 46 ARG N N 46 124.196 124.196 125.306 -1.110 18374 6338 1 22 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.194 0.726 18374 6339 1 22 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.447 -0.295 18374 6340 1 22 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.336 -0.434 18374 6341 1 22 . 1 1 46 46 ARG H H 46 8.197 8.197 8.362 -0.165 18374 6342 1 22 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.422 -0.124 18374 6343 1 22 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.097 0.721 18374 6344 1 22 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.650 -0.464 18374 6345 1 22 . 1 1 48 48 GLY N N 48 108.071 108.071 108.559 -0.488 18374 6346 1 22 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.779 -0.100 18374 6347 1 22 . 1 1 48 48 GLY H H 48 8.492 8.492 8.483 0.009 18374 6348 1 22 . 1 1 49 49 THR N N 49 111.151 111.151 111.319 -0.168 18374 6349 1 22 . 1 1 49 49 THR HA H 49 4.377 4.377 4.414 -0.037 18374 6350 1 22 . 1 1 49 49 THR CA C 49 60.690 60.690 61.948 -1.258 18374 6351 1 22 . 1 1 49 49 THR CB C 49 70.332 70.332 69.888 0.444 18374 6352 1 22 . 1 1 49 49 THR H H 49 7.669 7.669 7.654 0.015 18374 6353 1 22 . 1 1 50 50 GLY N N 50 110.491 110.491 112.166 -1.675 18374 6354 1 22 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.257 1.924 18374 6355 1 22 . 1 1 50 50 GLY H H 50 8.459 8.459 8.037 0.422 18374 6356 1 22 . 1 1 51 51 LEU N N 51 121.407 121.407 122.876 -1.469 18374 6357 1 22 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.415 -0.133 18374 6358 1 22 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.923 1.445 18374 6359 1 22 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.597 0.222 18374 6360 1 22 . 1 1 51 51 LEU H H 51 8.248 8.248 7.664 0.584 18374 6361 1 22 . 1 1 52 52 ARG N N 52 124.997 124.997 125.592 -0.595 18374 6362 1 22 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.831 1.016 18374 6363 1 22 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.603 -0.472 18374 6364 1 22 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.192 1.793 18374 6365 1 22 . 1 1 52 52 ARG H H 52 8.639 8.639 8.468 0.171 18374 6366 1 22 . 1 1 53 53 CYS N N 53 120.743 120.743 121.954 -1.211 18374 6367 1 22 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.039 -0.546 18374 6368 1 22 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.597 -0.393 18374 6369 1 22 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.716 2.063 18374 6370 1 22 . 1 1 53 53 CYS H H 53 8.933 8.933 8.625 0.308 18374 6371 1 22 . 1 1 54 54 ARG N N 54 121.407 121.407 120.691 0.716 18374 6372 1 22 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.995 -0.185 18374 6373 1 22 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.310 0.077 18374 6374 1 22 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.513 -0.630 18374 6375 1 22 . 1 1 54 54 ARG H H 54 10.380 10.380 8.686 1.694 18374 6376 1 22 . 1 1 55 55 SER N N 55 117.300 117.300 114.252 3.048 18374 6377 1 22 . 1 1 55 55 SER HA H 55 4.258 4.258 4.289 -0.031 18374 6378 1 22 . 1 1 55 55 SER CA C 55 61.216 61.216 61.085 0.131 18374 6379 1 22 . 1 1 55 55 SER CB C 55 62.830 62.830 63.098 -0.268 18374 6380 1 22 . 1 1 55 55 SER H H 55 8.228 8.228 8.019 0.209 18374 6381 1 22 . 1 1 56 56 CYS N N 56 122.602 122.602 119.712 2.890 18374 6382 1 22 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.326 -0.140 18374 6383 1 22 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.863 0.379 18374 6384 1 22 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.758 4.158 18374 6385 1 22 . 1 1 56 56 CYS H H 56 7.999 7.999 7.991 0.008 18374 6386 1 22 . 1 1 57 57 SER N N 57 115.430 115.430 114.647 0.783 18374 6387 1 22 . 1 1 57 57 SER HA H 57 4.266 4.266 4.418 -0.152 18374 6388 1 22 . 1 1 57 57 SER CA C 57 59.992 59.992 60.215 -0.223 18374 6389 1 22 . 1 1 57 57 SER CB C 57 63.492 63.492 63.077 0.415 18374 6390 1 22 . 1 1 57 57 SER H H 57 7.938 7.938 8.309 -0.371 18374 6391 1 22 . 1 1 58 58 GLY N N 58 109.391 109.391 110.815 -1.424 18374 6392 1 22 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.461 0.965 18374 6393 1 22 . 1 1 58 58 GLY H H 58 8.013 8.013 7.425 0.588 18374 6394 1 22 . 1 1 59 59 ASP N N 59 120.345 120.345 123.122 -2.777 18374 6395 1 22 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.650 -0.059 18374 6396 1 22 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.923 0.369 18374 6397 1 22 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.292 -1.209 18374 6398 1 22 . 1 1 59 59 ASP H H 59 8.130 8.130 7.778 0.352 18374 6399 1 22 . 1 1 60 60 VAL N N 60 119.548 119.548 125.438 -5.890 18374 6400 1 22 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.405 -0.247 18374 6401 1 22 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.618 0.297 18374 6402 1 22 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.256 -0.741 18374 6403 1 22 . 1 1 60 60 VAL H H 60 8.072 8.072 8.407 -0.335 18374 6404 1 22 . 1 1 61 61 THR N N 61 121.407 121.407 121.535 -0.128 18374 6405 1 22 . 1 1 61 61 THR HA H 61 4.509 4.509 4.713 -0.204 18374 6406 1 22 . 1 1 61 61 THR CA C 61 59.848 59.848 59.584 0.264 18374 6407 1 22 . 1 1 61 61 THR CB C 61 69.602 69.602 69.015 0.587 18374 6408 1 22 . 1 1 61 61 THR H H 61 8.335 8.335 8.186 0.149 18374 6409 1 22 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.495 -0.133 18374 6410 1 22 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.885 0.018 18374 6411 1 22 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.346 -0.397 18374 6412 1 22 . 1 1 63 63 ALA N N 63 125.923 125.923 126.649 -0.726 18374 6413 1 22 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.533 0.005 18374 6414 1 22 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.331 -0.063 18374 6415 1 22 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.034 -1.334 18374 6416 1 22 . 1 1 63 63 ALA H H 63 8.368 8.368 8.337 0.031 18374 6417 1 22 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.489 -0.079 18374 6418 1 22 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.051 -0.154 18374 6419 1 22 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.954 1.970 18374 6420 1 22 . 1 1 65 65 VAL N N 65 120.526 120.526 122.622 -2.096 18374 6421 1 22 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.218 -0.145 18374 6422 1 22 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.291 0.035 18374 6423 1 22 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.620 0.460 18374 6424 1 22 . 1 1 65 65 VAL H H 65 8.270 8.270 8.024 0.246 18374 6425 1 23 . 1 1 2 2 ALA N N 2 123.688 123.688 125.692 -2.004 18374 6426 1 23 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.421 -0.123 18374 6427 1 23 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.943 0.767 18374 6428 1 23 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.523 0.712 18374 6429 1 23 . 1 1 2 2 ALA H H 2 8.653 8.653 8.494 0.159 18374 6430 1 23 . 1 1 3 3 MET N N 3 119.289 119.289 117.963 1.326 18374 6431 1 23 . 1 1 3 3 MET HA H 3 4.426 4.426 4.035 0.391 18374 6432 1 23 . 1 1 3 3 MET CA C 3 55.430 55.430 55.985 -0.555 18374 6433 1 23 . 1 1 3 3 MET CB C 3 32.532 32.532 30.617 1.915 18374 6434 1 23 . 1 1 3 3 MET H H 3 8.545 8.545 8.750 -0.205 18374 6435 1 23 . 1 1 4 4 GLU N N 4 122.149 122.149 121.115 1.034 18374 6436 1 23 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.374 -0.130 18374 6437 1 23 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.099 -0.069 18374 6438 1 23 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.557 -0.551 18374 6439 1 23 . 1 1 4 4 GLU H H 4 8.440 8.440 7.539 0.901 18374 6440 1 23 . 1 1 5 5 GLY N N 5 110.051 110.051 112.800 -2.749 18374 6441 1 23 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.975 0.433 18374 6442 1 23 . 1 1 5 5 GLY H H 5 8.500 8.500 8.482 0.018 18374 6443 1 23 . 1 1 6 6 GLN N N 6 119.509 119.509 115.710 3.799 18374 6444 1 23 . 1 1 6 6 GLN HA H 6 4.286 4.286 3.873 0.413 18374 6445 1 23 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.681 -0.681 18374 6446 1 23 . 1 1 6 6 GLN CB C 6 29.208 29.208 26.962 2.246 18374 6447 1 23 . 1 1 6 6 GLN H H 6 8.242 8.242 8.540 -0.298 18374 6448 1 23 . 1 1 7 7 GLN N N 7 121.049 121.049 116.467 4.582 18374 6449 1 23 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.276 -0.015 18374 6450 1 23 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.999 0.105 18374 6451 1 23 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.483 -0.279 18374 6452 1 23 . 1 1 7 7 GLN H H 7 8.534 8.534 7.986 0.548 18374 6453 1 23 . 1 1 8 8 ASN N N 8 119.289 119.289 118.136 1.153 18374 6454 1 23 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.723 -0.078 18374 6455 1 23 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.806 0.301 18374 6456 1 23 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.399 -0.880 18374 6457 1 23 . 1 1 8 8 ASN H H 8 8.486 8.486 8.064 0.422 18374 6458 1 23 . 1 1 9 9 LEU N N 9 122.204 122.204 126.902 -4.698 18374 6459 1 23 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.580 -0.289 18374 6460 1 23 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.230 0.486 18374 6461 1 23 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.714 0.683 18374 6462 1 23 . 1 1 9 9 LEU H H 9 8.145 8.145 8.627 -0.482 18374 6463 1 23 . 1 1 10 10 ALA N N 10 126.188 126.188 129.698 -3.510 18374 6464 1 23 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.659 -0.127 18374 6465 1 23 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.115 0.222 18374 6466 1 23 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.113 -1.321 18374 6467 1 23 . 1 1 10 10 ALA H H 10 8.324 8.324 8.233 0.091 18374 6468 1 23 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.412 -0.048 18374 6469 1 23 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.977 0.931 18374 6470 1 23 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.601 1.268 18374 6471 1 23 . 1 1 12 12 GLY N N 12 108.951 108.951 106.393 2.558 18374 6472 1 23 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.679 0.542 18374 6473 1 23 . 1 1 12 12 GLY H H 12 8.501 8.501 8.100 0.401 18374 6474 1 23 . 1 1 13 13 ALA N N 13 123.134 123.134 125.393 -2.259 18374 6475 1 23 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.328 -0.094 18374 6476 1 23 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.791 0.318 18374 6477 1 23 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.414 2.111 18374 6478 1 23 . 1 1 13 13 ALA H H 13 7.957 7.957 8.085 -0.128 18374 6479 1 23 . 1 1 14 14 ARG N N 14 116.759 116.759 121.123 -4.364 18374 6480 1 23 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.527 -0.408 18374 6481 1 23 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.620 -1.810 18374 6482 1 23 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.071 -1.618 18374 6483 1 23 . 1 1 14 14 ARG H H 14 7.990 7.990 8.097 -0.107 18374 6484 1 23 . 1 1 15 15 CYS N N 15 123.688 123.688 126.828 -3.140 18374 6485 1 23 . 1 1 15 15 CYS HA H 15 4.017 4.017 5.009 -0.992 18374 6486 1 23 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.929 1.181 18374 6487 1 23 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.987 4.070 18374 6488 1 23 . 1 1 15 15 CYS H H 15 7.646 7.646 8.464 -0.818 18374 6489 1 23 . 1 1 16 16 GLY N N 16 117.749 117.749 116.027 1.722 18374 6490 1 23 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.952 -0.167 18374 6491 1 23 . 1 1 16 16 GLY H H 16 8.916 8.916 9.059 -0.143 18374 6492 1 23 . 1 1 17 17 VAL N N 17 122.602 122.602 121.382 1.220 18374 6493 1 23 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.902 0.112 18374 6494 1 23 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.481 0.550 18374 6495 1 23 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.732 1.108 18374 6496 1 23 . 1 1 17 17 VAL H H 17 8.856 8.856 8.085 0.771 18374 6497 1 23 . 1 1 18 18 CYS N N 18 115.430 115.430 113.549 1.881 18374 6498 1 23 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.974 -0.048 18374 6499 1 23 . 1 1 18 18 CYS CA C 18 58.179 58.179 57.866 0.313 18374 6500 1 23 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.994 0.617 18374 6501 1 23 . 1 1 18 18 CYS H H 18 7.758 7.758 7.885 -0.127 18374 6502 1 23 . 1 1 19 19 GLY N N 19 113.040 113.040 111.017 2.023 18374 6503 1 23 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.016 1.341 18374 6504 1 23 . 1 1 19 19 GLY H H 19 8.029 8.029 8.781 -0.752 18374 6505 1 23 . 1 1 20 20 ASP N N 20 123.399 123.399 123.725 -0.326 18374 6506 1 23 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.901 0.106 18374 6507 1 23 . 1 1 20 20 ASP CA C 20 53.514 53.514 55.452 -1.938 18374 6508 1 23 . 1 1 20 20 ASP CB C 20 44.542 44.542 41.771 2.771 18374 6509 1 23 . 1 1 20 20 ASP H H 20 8.722 8.722 7.851 0.871 18374 6510 1 23 . 1 1 21 21 GLY N N 21 111.371 111.371 109.577 1.794 18374 6511 1 23 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.219 -0.112 18374 6512 1 23 . 1 1 21 21 GLY H H 21 8.667 8.667 8.626 0.041 18374 6513 1 23 . 1 1 22 22 THR N N 22 118.220 118.220 115.249 2.971 18374 6514 1 23 . 1 1 22 22 THR HA H 22 3.979 3.979 4.363 -0.384 18374 6515 1 23 . 1 1 22 22 THR CA C 22 64.367 64.367 63.056 1.311 18374 6516 1 23 . 1 1 22 22 THR CB C 22 67.783 67.783 69.437 -1.654 18374 6517 1 23 . 1 1 22 22 THR H H 22 8.784 8.784 7.563 1.221 18374 6518 1 23 . 1 1 23 23 ASP N N 23 127.251 127.251 124.018 3.233 18374 6519 1 23 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.292 0.009 18374 6520 1 23 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.625 -0.198 18374 6521 1 23 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.760 -0.721 18374 6522 1 23 . 1 1 23 23 ASP H H 23 9.376 9.376 8.771 0.605 18374 6523 1 23 . 1 1 24 24 VAL N N 24 111.371 111.371 117.391 -6.020 18374 6524 1 23 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.244 -0.684 18374 6525 1 23 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.184 0.532 18374 6526 1 23 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.219 -0.927 18374 6527 1 23 . 1 1 24 24 VAL H H 24 7.402 7.402 7.907 -0.505 18374 6528 1 23 . 1 1 25 25 LEU N N 25 123.908 123.908 127.102 -3.194 18374 6529 1 23 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.538 -0.199 18374 6530 1 23 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.748 -1.226 18374 6531 1 23 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.080 -0.638 18374 6532 1 23 . 1 1 25 25 LEU H H 25 8.328 8.328 8.654 -0.326 18374 6533 1 23 . 1 1 26 26 ARG N N 26 116.626 116.626 121.674 -5.048 18374 6534 1 23 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.168 -0.067 18374 6535 1 23 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.555 -1.900 18374 6536 1 23 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.267 0.401 18374 6537 1 23 . 1 1 26 26 ARG H H 26 7.877 7.877 8.109 -0.232 18374 6538 1 23 . 1 1 27 27 CYS N N 27 126.328 126.328 127.003 -0.675 18374 6539 1 23 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.780 -0.465 18374 6540 1 23 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.393 1.005 18374 6541 1 23 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.499 2.168 18374 6542 1 23 . 1 1 27 27 CYS H H 27 9.182 9.182 8.594 0.588 18374 6543 1 23 . 1 1 28 28 THR N N 28 122.470 122.470 122.758 -0.288 18374 6544 1 23 . 1 1 28 28 THR HA H 28 4.166 4.166 4.362 -0.196 18374 6545 1 23 . 1 1 28 28 THR CA C 28 64.686 64.686 63.624 1.062 18374 6546 1 23 . 1 1 28 28 THR CB C 28 69.846 69.846 68.733 1.113 18374 6547 1 23 . 1 1 28 28 THR H H 28 8.956 8.956 8.993 -0.037 18374 6548 1 23 . 1 1 29 29 HIS N N 29 123.908 123.908 119.256 4.652 18374 6549 1 23 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.658 0.251 18374 6550 1 23 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.254 0.850 18374 6551 1 23 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.468 -0.923 18374 6552 1 23 . 1 1 29 29 HIS H H 29 9.464 9.464 8.202 1.262 18374 6553 1 23 . 1 1 30 30 CYS N N 30 119.946 119.946 115.288 4.658 18374 6554 1 23 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.774 0.037 18374 6555 1 23 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.703 2.387 18374 6556 1 23 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.459 2.439 18374 6557 1 23 . 1 1 30 30 CYS H H 30 8.710 8.710 7.798 0.912 18374 6558 1 23 . 1 1 31 31 ALA N N 31 120.477 120.477 124.721 -4.244 18374 6559 1 23 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.491 -0.207 18374 6560 1 23 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.816 2.674 18374 6561 1 23 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.971 -1.553 18374 6562 1 23 . 1 1 31 31 ALA H H 31 7.626 7.626 8.348 -0.722 18374 6563 1 23 . 1 1 32 32 ALA N N 32 125.524 125.524 125.638 -0.114 18374 6564 1 23 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.481 -0.235 18374 6565 1 23 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.641 1.199 18374 6566 1 23 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.852 -1.518 18374 6567 1 23 . 1 1 32 32 ALA H H 32 9.152 9.152 8.279 0.873 18374 6568 1 23 . 1 1 33 33 ALA N N 33 123.257 123.257 128.009 -4.752 18374 6569 1 23 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.622 -0.212 18374 6570 1 23 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.165 -0.359 18374 6571 1 23 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.154 -0.525 18374 6572 1 23 . 1 1 33 33 ALA H H 33 8.490 8.490 8.829 -0.339 18374 6573 1 23 . 1 1 34 34 PHE N N 34 118.220 118.220 120.505 -2.285 18374 6574 1 23 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.861 0.213 18374 6575 1 23 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.311 -0.549 18374 6576 1 23 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.884 -1.662 18374 6577 1 23 . 1 1 34 34 PHE H H 34 8.948 8.948 8.640 0.308 18374 6578 1 23 . 1 1 35 35 HIS N N 35 116.759 116.759 119.480 -2.721 18374 6579 1 23 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.911 -0.025 18374 6580 1 23 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.413 1.725 18374 6581 1 23 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.539 -0.516 18374 6582 1 23 . 1 1 35 35 HIS H H 35 7.932 7.932 8.035 -0.103 18374 6583 1 23 . 1 1 36 36 TRP N N 36 127.649 127.649 126.247 1.402 18374 6584 1 23 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.702 -0.264 18374 6585 1 23 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.369 0.004 18374 6586 1 23 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.031 -0.707 18374 6587 1 23 . 1 1 36 36 TRP H H 36 9.421 9.421 9.136 0.285 18374 6588 1 23 . 1 1 37 37 ARG N N 37 113.040 113.040 115.905 -2.865 18374 6589 1 23 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.419 -0.015 18374 6590 1 23 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.668 -1.195 18374 6591 1 23 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.775 -0.608 18374 6592 1 23 . 1 1 37 37 ARG H H 37 9.075 9.075 8.618 0.457 18374 6593 1 23 . 1 1 38 38 CYS N N 38 116.493 116.493 115.937 0.556 18374 6594 1 23 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.588 -0.370 18374 6595 1 23 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.030 2.429 18374 6596 1 23 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.954 2.722 18374 6597 1 23 . 1 1 38 38 CYS H H 38 7.169 7.169 7.779 -0.610 18374 6598 1 23 . 1 1 39 39 HIS N N 39 118.220 118.220 116.416 1.804 18374 6599 1 23 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.393 -0.170 18374 6600 1 23 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.567 0.909 18374 6601 1 23 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.387 3.953 18374 6602 1 23 . 1 1 39 39 HIS H H 39 7.562 7.562 7.709 -0.147 18374 6603 1 23 . 1 1 40 40 PHE N N 40 117.157 117.157 118.113 -0.956 18374 6604 1 23 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.736 0.047 18374 6605 1 23 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.227 -2.568 18374 6606 1 23 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.961 -0.154 18374 6607 1 23 . 1 1 40 40 PHE H H 40 8.282 8.282 8.196 0.086 18374 6608 1 23 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.527 -0.040 18374 6609 1 23 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.633 0.586 18374 6610 1 23 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.282 -0.067 18374 6611 1 23 . 1 1 42 42 ALA N N 42 123.001 123.001 123.599 -0.598 18374 6612 1 23 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.223 0.135 18374 6613 1 23 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.847 -0.834 18374 6614 1 23 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.690 -0.049 18374 6615 1 23 . 1 1 42 42 ALA H H 42 8.635 8.635 8.544 0.091 18374 6616 1 23 . 1 1 43 43 GLY N N 43 108.291 108.291 105.145 3.146 18374 6617 1 23 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.064 0.402 18374 6618 1 23 . 1 1 43 43 GLY H H 43 8.529 8.529 8.176 0.353 18374 6619 1 23 . 1 1 44 44 THR N N 44 113.961 113.961 119.128 -5.167 18374 6620 1 23 . 1 1 44 44 THR HA H 44 4.424 4.424 4.566 -0.142 18374 6621 1 23 . 1 1 44 44 THR CA C 44 62.074 62.074 62.202 -0.128 18374 6622 1 23 . 1 1 44 44 THR CB C 44 70.259 70.259 69.909 0.351 18374 6623 1 23 . 1 1 44 44 THR H H 44 7.971 7.971 7.804 0.167 18374 6624 1 23 . 1 1 45 45 SER N N 45 120.467 120.467 120.921 -0.454 18374 6625 1 23 . 1 1 45 45 SER HA H 45 4.280 4.280 4.610 -0.330 18374 6626 1 23 . 1 1 45 45 SER CA C 45 58.274 58.274 57.879 0.395 18374 6627 1 23 . 1 1 45 45 SER CB C 45 63.906 63.906 64.055 -0.148 18374 6628 1 23 . 1 1 45 45 SER H H 45 8.644 8.644 8.638 0.006 18374 6629 1 23 . 1 1 46 46 ARG N N 46 124.196 124.196 124.860 -0.664 18374 6630 1 23 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.360 0.560 18374 6631 1 23 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.455 -0.303 18374 6632 1 23 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.993 -0.091 18374 6633 1 23 . 1 1 46 46 ARG H H 46 8.197 8.197 8.357 -0.160 18374 6634 1 23 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.386 -0.088 18374 6635 1 23 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.359 0.459 18374 6636 1 23 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.302 -0.116 18374 6637 1 23 . 1 1 48 48 GLY N N 48 108.071 108.071 110.479 -2.408 18374 6638 1 23 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.637 0.042 18374 6639 1 23 . 1 1 48 48 GLY H H 48 8.492 8.492 8.530 -0.038 18374 6640 1 23 . 1 1 49 49 THR N N 49 111.151 111.151 114.522 -3.371 18374 6641 1 23 . 1 1 49 49 THR HA H 49 4.377 4.377 4.450 -0.073 18374 6642 1 23 . 1 1 49 49 THR CA C 49 60.690 60.690 61.583 -0.893 18374 6643 1 23 . 1 1 49 49 THR CB C 49 70.332 70.332 69.547 0.785 18374 6644 1 23 . 1 1 49 49 THR H H 49 7.669 7.669 7.561 0.108 18374 6645 1 23 . 1 1 50 50 GLY N N 50 110.491 110.491 111.006 -0.515 18374 6646 1 23 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.770 1.411 18374 6647 1 23 . 1 1 50 50 GLY H H 50 8.459 8.459 7.970 0.489 18374 6648 1 23 . 1 1 51 51 LEU N N 51 121.407 121.407 121.272 0.135 18374 6649 1 23 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.410 -0.128 18374 6650 1 23 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.272 1.096 18374 6651 1 23 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.292 0.527 18374 6652 1 23 . 1 1 51 51 LEU H H 51 8.248 8.248 8.144 0.104 18374 6653 1 23 . 1 1 52 52 ARG N N 52 124.997 124.997 125.171 -0.174 18374 6654 1 23 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.876 0.971 18374 6655 1 23 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.876 -0.745 18374 6656 1 23 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.912 2.073 18374 6657 1 23 . 1 1 52 52 ARG H H 52 8.639 8.639 8.605 0.034 18374 6658 1 23 . 1 1 53 53 CYS N N 53 120.743 120.743 121.927 -1.184 18374 6659 1 23 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.988 -0.495 18374 6660 1 23 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.975 0.229 18374 6661 1 23 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.426 1.353 18374 6662 1 23 . 1 1 53 53 CYS H H 53 8.933 8.933 8.553 0.380 18374 6663 1 23 . 1 1 54 54 ARG N N 54 121.407 121.407 121.144 0.263 18374 6664 1 23 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.927 -0.117 18374 6665 1 23 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.320 -0.933 18374 6666 1 23 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.212 -1.329 18374 6667 1 23 . 1 1 54 54 ARG H H 54 10.380 10.380 8.597 1.783 18374 6668 1 23 . 1 1 55 55 SER N N 55 117.300 117.300 115.708 1.592 18374 6669 1 23 . 1 1 55 55 SER HA H 55 4.258 4.258 4.274 -0.016 18374 6670 1 23 . 1 1 55 55 SER CA C 55 61.216 61.216 61.177 0.039 18374 6671 1 23 . 1 1 55 55 SER CB C 55 62.830 62.830 62.660 0.170 18374 6672 1 23 . 1 1 55 55 SER H H 55 8.228 8.228 8.324 -0.096 18374 6673 1 23 . 1 1 56 56 CYS N N 56 122.602 122.602 120.583 2.019 18374 6674 1 23 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.275 -0.089 18374 6675 1 23 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.706 0.536 18374 6676 1 23 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.562 3.354 18374 6677 1 23 . 1 1 56 56 CYS H H 56 7.999 7.999 7.867 0.132 18374 6678 1 23 . 1 1 57 57 SER N N 57 115.430 115.430 114.141 1.289 18374 6679 1 23 . 1 1 57 57 SER HA H 57 4.266 4.266 4.514 -0.248 18374 6680 1 23 . 1 1 57 57 SER CA C 57 59.992 59.992 58.175 1.817 18374 6681 1 23 . 1 1 57 57 SER CB C 57 63.492 63.492 62.341 1.151 18374 6682 1 23 . 1 1 57 57 SER H H 57 7.938 7.938 8.484 -0.546 18374 6683 1 23 . 1 1 58 58 GLY N N 58 109.391 109.391 110.420 -1.029 18374 6684 1 23 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.493 -0.067 18374 6685 1 23 . 1 1 58 58 GLY H H 58 8.013 8.013 7.417 0.596 18374 6686 1 23 . 1 1 59 59 ASP N N 59 120.345 120.345 124.833 -4.488 18374 6687 1 23 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.769 -0.178 18374 6688 1 23 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.202 1.090 18374 6689 1 23 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.889 -1.806 18374 6690 1 23 . 1 1 59 59 ASP H H 59 8.130 8.130 8.037 0.093 18374 6691 1 23 . 1 1 60 60 VAL N N 60 119.548 119.548 124.864 -5.316 18374 6692 1 23 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.372 -0.214 18374 6693 1 23 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.944 -0.029 18374 6694 1 23 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.748 -0.233 18374 6695 1 23 . 1 1 60 60 VAL H H 60 8.072 8.072 8.452 -0.380 18374 6696 1 23 . 1 1 61 61 THR N N 61 121.407 121.407 121.730 -0.323 18374 6697 1 23 . 1 1 61 61 THR HA H 61 4.509 4.509 4.655 -0.146 18374 6698 1 23 . 1 1 61 61 THR CA C 61 59.848 59.848 59.568 0.280 18374 6699 1 23 . 1 1 61 61 THR CB C 61 69.602 69.602 69.093 0.509 18374 6700 1 23 . 1 1 61 61 THR H H 61 8.335 8.335 8.375 -0.040 18374 6701 1 23 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.470 -0.108 18374 6702 1 23 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.832 0.071 18374 6703 1 23 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.510 -0.560 18374 6704 1 23 . 1 1 63 63 ALA N N 63 125.923 125.923 126.374 -0.451 18374 6705 1 23 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.547 -0.009 18374 6706 1 23 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.116 0.152 18374 6707 1 23 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.974 -1.274 18374 6708 1 23 . 1 1 63 63 ALA H H 63 8.368 8.368 8.236 0.132 18374 6709 1 23 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.410 0.000 18374 6710 1 23 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.885 0.012 18374 6711 1 23 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.448 0.476 18374 6712 1 23 . 1 1 65 65 VAL N N 65 120.526 120.526 126.133 -5.607 18374 6713 1 23 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.204 -0.131 18374 6714 1 23 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.136 0.189 18374 6715 1 23 . 1 1 65 65 VAL CB C 65 32.080 32.080 30.985 1.095 18374 6716 1 23 . 1 1 65 65 VAL H H 65 8.270 8.270 8.364 -0.094 18374 6717 1 24 . 1 1 2 2 ALA N N 2 123.688 123.688 126.211 -2.523 18374 6718 1 24 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.690 -0.392 18374 6719 1 24 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.754 0.956 18374 6720 1 24 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.675 -0.440 18374 6721 1 24 . 1 1 2 2 ALA H H 2 8.653 8.653 8.296 0.357 18374 6722 1 24 . 1 1 3 3 MET N N 3 119.289 119.289 122.598 -3.309 18374 6723 1 24 . 1 1 3 3 MET HA H 3 4.426 4.426 4.580 -0.154 18374 6724 1 24 . 1 1 3 3 MET CA C 3 55.430 55.430 55.342 0.088 18374 6725 1 24 . 1 1 3 3 MET CB C 3 32.532 32.532 33.695 -1.163 18374 6726 1 24 . 1 1 3 3 MET H H 3 8.545 8.545 8.630 -0.085 18374 6727 1 24 . 1 1 4 4 GLU N N 4 122.149 122.149 121.567 0.582 18374 6728 1 24 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.317 -0.073 18374 6729 1 24 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.823 0.208 18374 6730 1 24 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.325 -0.319 18374 6731 1 24 . 1 1 4 4 GLU H H 4 8.440 8.440 8.700 -0.260 18374 6732 1 24 . 1 1 5 5 GLY N N 5 110.051 110.051 106.286 3.765 18374 6733 1 24 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.669 0.739 18374 6734 1 24 . 1 1 5 5 GLY H H 5 8.500 8.500 7.524 0.976 18374 6735 1 24 . 1 1 6 6 GLN N N 6 119.509 119.509 115.887 3.622 18374 6736 1 24 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.030 0.256 18374 6737 1 24 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.989 -0.989 18374 6738 1 24 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.122 2.086 18374 6739 1 24 . 1 1 6 6 GLN H H 6 8.242 8.242 8.640 -0.398 18374 6740 1 24 . 1 1 7 7 GLN N N 7 121.049 121.049 115.103 5.946 18374 6741 1 24 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.140 0.121 18374 6742 1 24 . 1 1 7 7 GLN CA C 7 56.104 56.104 57.642 -1.538 18374 6743 1 24 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.396 0.808 18374 6744 1 24 . 1 1 7 7 GLN H H 7 8.534 8.534 8.488 0.046 18374 6745 1 24 . 1 1 8 8 ASN N N 8 119.289 119.289 117.981 1.308 18374 6746 1 24 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.743 -0.098 18374 6747 1 24 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.801 -0.694 18374 6748 1 24 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.623 -0.103 18374 6749 1 24 . 1 1 8 8 ASN H H 8 8.486 8.486 8.613 -0.127 18374 6750 1 24 . 1 1 9 9 LEU N N 9 122.204 122.204 119.895 2.309 18374 6751 1 24 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.518 -0.227 18374 6752 1 24 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.925 0.791 18374 6753 1 24 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.460 0.937 18374 6754 1 24 . 1 1 9 9 LEU H H 9 8.145 8.145 7.082 1.063 18374 6755 1 24 . 1 1 10 10 ALA N N 10 126.188 126.188 123.632 2.556 18374 6756 1 24 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.481 0.051 18374 6757 1 24 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.581 -0.244 18374 6758 1 24 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.949 -1.156 18374 6759 1 24 . 1 1 10 10 ALA H H 10 8.324 8.324 7.859 0.465 18374 6760 1 24 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.372 -0.008 18374 6761 1 24 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.060 0.848 18374 6762 1 24 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.286 1.583 18374 6763 1 24 . 1 1 12 12 GLY N N 12 108.951 108.951 109.027 -0.076 18374 6764 1 24 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.492 -0.271 18374 6765 1 24 . 1 1 12 12 GLY H H 12 8.501 8.501 7.919 0.582 18374 6766 1 24 . 1 1 13 13 ALA N N 13 123.134 123.134 122.463 0.671 18374 6767 1 24 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.426 -0.192 18374 6768 1 24 . 1 1 13 13 ALA CA C 13 52.109 52.109 50.743 1.366 18374 6769 1 24 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.384 1.141 18374 6770 1 24 . 1 1 13 13 ALA H H 13 7.957 7.957 8.153 -0.196 18374 6771 1 24 . 1 1 14 14 ARG N N 14 116.759 116.759 121.459 -4.700 18374 6772 1 24 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.570 -0.451 18374 6773 1 24 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.715 -1.905 18374 6774 1 24 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.700 -1.247 18374 6775 1 24 . 1 1 14 14 ARG H H 14 7.990 7.990 7.712 0.278 18374 6776 1 24 . 1 1 15 15 CYS N N 15 123.688 123.688 126.740 -3.052 18374 6777 1 24 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.743 -0.726 18374 6778 1 24 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.785 0.325 18374 6779 1 24 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.254 3.803 18374 6780 1 24 . 1 1 15 15 CYS H H 15 7.646 7.646 8.551 -0.905 18374 6781 1 24 . 1 1 16 16 GLY N N 16 117.749 117.749 115.774 1.975 18374 6782 1 24 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.045 -0.260 18374 6783 1 24 . 1 1 16 16 GLY H H 16 8.916 8.916 8.979 -0.063 18374 6784 1 24 . 1 1 17 17 VAL N N 17 122.602 122.602 119.080 3.522 18374 6785 1 24 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.892 0.122 18374 6786 1 24 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.269 0.762 18374 6787 1 24 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.347 1.493 18374 6788 1 24 . 1 1 17 17 VAL H H 17 8.856 8.856 7.845 1.011 18374 6789 1 24 . 1 1 18 18 CYS N N 18 115.430 115.430 117.035 -1.605 18374 6790 1 24 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.642 0.284 18374 6791 1 24 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.688 -1.509 18374 6792 1 24 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.946 1.665 18374 6793 1 24 . 1 1 18 18 CYS H H 18 7.758 7.758 7.937 -0.179 18374 6794 1 24 . 1 1 19 19 GLY N N 19 113.040 113.040 109.016 4.024 18374 6795 1 24 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.213 1.144 18374 6796 1 24 . 1 1 19 19 GLY H H 19 8.029 8.029 8.780 -0.751 18374 6797 1 24 . 1 1 20 20 ASP N N 20 123.399 123.399 120.278 3.121 18374 6798 1 24 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.945 0.062 18374 6799 1 24 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.559 -0.045 18374 6800 1 24 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.571 -0.029 18374 6801 1 24 . 1 1 20 20 ASP H H 20 8.722 8.722 7.474 1.248 18374 6802 1 24 . 1 1 21 21 GLY N N 21 111.371 111.371 107.719 3.652 18374 6803 1 24 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.900 0.207 18374 6804 1 24 . 1 1 21 21 GLY H H 21 8.667 8.667 8.616 0.051 18374 6805 1 24 . 1 1 22 22 THR N N 22 118.220 118.220 116.905 1.315 18374 6806 1 24 . 1 1 22 22 THR HA H 22 3.979 3.979 4.336 -0.357 18374 6807 1 24 . 1 1 22 22 THR CA C 22 64.367 64.367 63.783 0.584 18374 6808 1 24 . 1 1 22 22 THR CB C 22 67.783 67.783 69.138 -1.355 18374 6809 1 24 . 1 1 22 22 THR H H 22 8.784 8.784 7.649 1.135 18374 6810 1 24 . 1 1 23 23 ASP N N 23 127.251 127.251 124.267 2.984 18374 6811 1 24 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.359 -0.058 18374 6812 1 24 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.895 0.532 18374 6813 1 24 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.338 -1.299 18374 6814 1 24 . 1 1 23 23 ASP H H 23 9.376 9.376 9.013 0.363 18374 6815 1 24 . 1 1 24 24 VAL N N 24 111.371 111.371 111.766 -0.395 18374 6816 1 24 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.452 -0.892 18374 6817 1 24 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.438 1.278 18374 6818 1 24 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.363 -0.071 18374 6819 1 24 . 1 1 24 24 VAL H H 24 7.402 7.402 7.748 -0.346 18374 6820 1 24 . 1 1 25 25 LEU N N 25 123.908 123.908 126.235 -2.327 18374 6821 1 24 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.503 -0.164 18374 6822 1 24 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.763 -1.240 18374 6823 1 24 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.416 -0.974 18374 6824 1 24 . 1 1 25 25 LEU H H 25 8.328 8.328 8.770 -0.442 18374 6825 1 24 . 1 1 26 26 ARG N N 26 116.626 116.626 120.693 -4.067 18374 6826 1 24 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.221 -0.120 18374 6827 1 24 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.373 -1.718 18374 6828 1 24 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.336 0.332 18374 6829 1 24 . 1 1 26 26 ARG H H 26 7.877 7.877 8.132 -0.255 18374 6830 1 24 . 1 1 27 27 CYS N N 27 126.328 126.328 123.952 2.376 18374 6831 1 24 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.741 -0.426 18374 6832 1 24 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.325 1.073 18374 6833 1 24 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.417 2.250 18374 6834 1 24 . 1 1 27 27 CYS H H 27 9.182 9.182 8.422 0.760 18374 6835 1 24 . 1 1 28 28 THR N N 28 122.470 122.470 121.845 0.625 18374 6836 1 24 . 1 1 28 28 THR HA H 28 4.166 4.166 4.357 -0.191 18374 6837 1 24 . 1 1 28 28 THR CA C 28 64.686 64.686 64.001 0.685 18374 6838 1 24 . 1 1 28 28 THR CB C 28 69.846 69.846 68.981 0.865 18374 6839 1 24 . 1 1 28 28 THR H H 28 8.956 8.956 8.990 -0.034 18374 6840 1 24 . 1 1 29 29 HIS N N 29 123.908 123.908 119.078 4.830 18374 6841 1 24 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.645 0.264 18374 6842 1 24 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.049 1.055 18374 6843 1 24 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.942 -0.397 18374 6844 1 24 . 1 1 29 29 HIS H H 29 9.464 9.464 8.460 1.004 18374 6845 1 24 . 1 1 30 30 CYS N N 30 119.946 119.946 115.079 4.867 18374 6846 1 24 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.775 0.036 18374 6847 1 24 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.648 2.442 18374 6848 1 24 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.547 2.351 18374 6849 1 24 . 1 1 30 30 CYS H H 30 8.710 8.710 7.792 0.918 18374 6850 1 24 . 1 1 31 31 ALA N N 31 120.477 120.477 124.880 -4.403 18374 6851 1 24 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.497 -0.213 18374 6852 1 24 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.930 2.560 18374 6853 1 24 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.870 -1.452 18374 6854 1 24 . 1 1 31 31 ALA H H 31 7.626 7.626 8.365 -0.739 18374 6855 1 24 . 1 1 32 32 ALA N N 32 125.524 125.524 125.954 -0.430 18374 6856 1 24 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.471 -0.225 18374 6857 1 24 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.776 1.064 18374 6858 1 24 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.632 -1.298 18374 6859 1 24 . 1 1 32 32 ALA H H 32 9.152 9.152 8.253 0.899 18374 6860 1 24 . 1 1 33 33 ALA N N 33 123.257 123.257 126.544 -3.287 18374 6861 1 24 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.763 -0.353 18374 6862 1 24 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.123 -0.317 18374 6863 1 24 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.977 -1.349 18374 6864 1 24 . 1 1 33 33 ALA H H 33 8.490 8.490 8.741 -0.251 18374 6865 1 24 . 1 1 34 34 PHE N N 34 118.220 118.220 118.909 -0.689 18374 6866 1 24 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.860 0.214 18374 6867 1 24 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.691 -0.928 18374 6868 1 24 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.893 -1.671 18374 6869 1 24 . 1 1 34 34 PHE H H 34 8.948 8.948 8.712 0.236 18374 6870 1 24 . 1 1 35 35 HIS N N 35 116.759 116.759 120.546 -3.787 18374 6871 1 24 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.945 -0.059 18374 6872 1 24 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.795 1.343 18374 6873 1 24 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.213 0.810 18374 6874 1 24 . 1 1 35 35 HIS H H 35 7.932 7.932 8.287 -0.355 18374 6875 1 24 . 1 1 36 36 TRP N N 36 127.649 127.649 127.934 -0.285 18374 6876 1 24 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.661 -0.223 18374 6877 1 24 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.347 0.026 18374 6878 1 24 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.918 -0.594 18374 6879 1 24 . 1 1 36 36 TRP H H 36 9.421 9.421 9.222 0.199 18374 6880 1 24 . 1 1 37 37 ARG N N 37 113.040 113.040 116.210 -3.170 18374 6881 1 24 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.344 0.060 18374 6882 1 24 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.680 -1.207 18374 6883 1 24 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.759 -0.591 18374 6884 1 24 . 1 1 37 37 ARG H H 37 9.075 9.075 8.579 0.496 18374 6885 1 24 . 1 1 38 38 CYS N N 38 116.493 116.493 115.459 1.034 18374 6886 1 24 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.522 -0.304 18374 6887 1 24 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.576 1.883 18374 6888 1 24 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.767 2.909 18374 6889 1 24 . 1 1 38 38 CYS H H 38 7.169 7.169 8.128 -0.959 18374 6890 1 24 . 1 1 39 39 HIS N N 39 118.220 118.220 117.024 1.196 18374 6891 1 24 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.286 -0.063 18374 6892 1 24 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.430 1.046 18374 6893 1 24 . 1 1 39 39 HIS CB C 39 35.340 35.340 30.897 4.443 18374 6894 1 24 . 1 1 39 39 HIS H H 39 7.562 7.562 7.534 0.028 18374 6895 1 24 . 1 1 40 40 PHE N N 40 117.157 117.157 117.528 -0.371 18374 6896 1 24 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.827 -0.044 18374 6897 1 24 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.904 -2.245 18374 6898 1 24 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.897 -0.090 18374 6899 1 24 . 1 1 40 40 PHE H H 40 8.282 8.282 8.147 0.135 18374 6900 1 24 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.664 -0.177 18374 6901 1 24 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.281 -0.062 18374 6902 1 24 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.375 0.840 18374 6903 1 24 . 1 1 42 42 ALA N N 42 123.001 123.001 121.790 1.211 18374 6904 1 24 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.382 -0.024 18374 6905 1 24 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.903 1.110 18374 6906 1 24 . 1 1 42 42 ALA CB C 42 18.641 18.641 19.110 -0.469 18374 6907 1 24 . 1 1 42 42 ALA H H 42 8.635 8.635 8.245 0.390 18374 6908 1 24 . 1 1 43 43 GLY N N 43 108.291 108.291 107.930 0.361 18374 6909 1 24 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.698 0.768 18374 6910 1 24 . 1 1 43 43 GLY H H 43 8.529 8.529 8.029 0.500 18374 6911 1 24 . 1 1 44 44 THR N N 44 113.961 113.961 116.706 -2.745 18374 6912 1 24 . 1 1 44 44 THR HA H 44 4.424 4.424 4.328 0.096 18374 6913 1 24 . 1 1 44 44 THR CA C 44 62.074 62.074 63.383 -1.309 18374 6914 1 24 . 1 1 44 44 THR CB C 44 70.259 70.259 69.508 0.751 18374 6915 1 24 . 1 1 44 44 THR H H 44 7.971 7.971 7.853 0.118 18374 6916 1 24 . 1 1 45 45 SER N N 45 120.467 120.467 120.289 0.178 18374 6917 1 24 . 1 1 45 45 SER HA H 45 4.280 4.280 4.529 -0.249 18374 6918 1 24 . 1 1 45 45 SER CA C 45 58.274 58.274 57.692 0.582 18374 6919 1 24 . 1 1 45 45 SER CB C 45 63.906 63.906 63.498 0.408 18374 6920 1 24 . 1 1 45 45 SER H H 45 8.644 8.644 8.605 0.039 18374 6921 1 24 . 1 1 46 46 ARG N N 46 124.196 124.196 127.456 -3.260 18374 6922 1 24 . 1 1 46 46 ARG HA H 46 3.920 3.920 2.800 1.120 18374 6923 1 24 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.722 -0.570 18374 6924 1 24 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.357 0.545 18374 6925 1 24 . 1 1 46 46 ARG H H 46 8.197 8.197 8.219 -0.022 18374 6926 1 24 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.361 -0.063 18374 6927 1 24 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.298 0.520 18374 6928 1 24 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.172 0.014 18374 6929 1 24 . 1 1 48 48 GLY N N 48 108.071 108.071 109.285 -1.214 18374 6930 1 24 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.528 0.151 18374 6931 1 24 . 1 1 48 48 GLY H H 48 8.492 8.492 8.543 -0.051 18374 6932 1 24 . 1 1 49 49 THR N N 49 111.151 111.151 113.044 -1.893 18374 6933 1 24 . 1 1 49 49 THR HA H 49 4.377 4.377 4.409 -0.032 18374 6934 1 24 . 1 1 49 49 THR CA C 49 60.690 60.690 61.070 -0.380 18374 6935 1 24 . 1 1 49 49 THR CB C 49 70.332 70.332 68.534 1.798 18374 6936 1 24 . 1 1 49 49 THR H H 49 7.669 7.669 7.689 -0.020 18374 6937 1 24 . 1 1 50 50 GLY N N 50 110.491 110.491 108.592 1.899 18374 6938 1 24 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.486 1.694 18374 6939 1 24 . 1 1 50 50 GLY H H 50 8.459 8.459 7.562 0.897 18374 6940 1 24 . 1 1 51 51 LEU N N 51 121.407 121.407 124.033 -2.626 18374 6941 1 24 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.447 -0.165 18374 6942 1 24 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.375 1.993 18374 6943 1 24 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.710 0.109 18374 6944 1 24 . 1 1 51 51 LEU H H 51 8.248 8.248 8.446 -0.198 18374 6945 1 24 . 1 1 52 52 ARG N N 52 124.997 124.997 125.726 -0.729 18374 6946 1 24 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.991 0.856 18374 6947 1 24 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.012 -0.881 18374 6948 1 24 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.331 1.654 18374 6949 1 24 . 1 1 52 52 ARG H H 52 8.639 8.639 8.483 0.156 18374 6950 1 24 . 1 1 53 53 CYS N N 53 120.743 120.743 119.367 1.376 18374 6951 1 24 . 1 1 53 53 CYS HA H 53 3.493 3.493 5.008 -1.515 18374 6952 1 24 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.424 0.780 18374 6953 1 24 . 1 1 53 53 CYS CB C 53 30.779 30.779 31.115 -0.336 18374 6954 1 24 . 1 1 53 53 CYS H H 53 8.933 8.933 8.550 0.383 18374 6955 1 24 . 1 1 54 54 ARG N N 54 121.407 121.407 119.866 1.541 18374 6956 1 24 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.168 -0.358 18374 6957 1 24 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.812 0.575 18374 6958 1 24 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.463 -0.580 18374 6959 1 24 . 1 1 54 54 ARG H H 54 10.380 10.380 8.676 1.704 18374 6960 1 24 . 1 1 55 55 SER N N 55 117.300 117.300 114.454 2.846 18374 6961 1 24 . 1 1 55 55 SER HA H 55 4.258 4.258 4.383 -0.125 18374 6962 1 24 . 1 1 55 55 SER CA C 55 61.216 61.216 60.926 0.290 18374 6963 1 24 . 1 1 55 55 SER CB C 55 62.830 62.830 63.561 -0.731 18374 6964 1 24 . 1 1 55 55 SER H H 55 8.228 8.228 7.960 0.268 18374 6965 1 24 . 1 1 56 56 CYS N N 56 122.602 122.602 120.744 1.858 18374 6966 1 24 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.306 -0.120 18374 6967 1 24 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.211 0.031 18374 6968 1 24 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.916 4.000 18374 6969 1 24 . 1 1 56 56 CYS H H 56 7.999 7.999 7.942 0.057 18374 6970 1 24 . 1 1 57 57 SER N N 57 115.430 115.430 114.385 1.045 18374 6971 1 24 . 1 1 57 57 SER HA H 57 4.266 4.266 4.522 -0.256 18374 6972 1 24 . 1 1 57 57 SER CA C 57 59.992 59.992 59.714 0.278 18374 6973 1 24 . 1 1 57 57 SER CB C 57 63.492 63.492 63.344 0.148 18374 6974 1 24 . 1 1 57 57 SER H H 57 7.938 7.938 8.646 -0.708 18374 6975 1 24 . 1 1 58 58 GLY N N 58 109.391 109.391 111.039 -1.648 18374 6976 1 24 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.062 0.364 18374 6977 1 24 . 1 1 58 58 GLY H H 58 8.013 8.013 7.703 0.310 18374 6978 1 24 . 1 1 59 59 ASP N N 59 120.345 120.345 124.342 -3.997 18374 6979 1 24 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.525 0.066 18374 6980 1 24 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.384 -0.092 18374 6981 1 24 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.027 0.056 18374 6982 1 24 . 1 1 59 59 ASP H H 59 8.130 8.130 8.050 0.080 18374 6983 1 24 . 1 1 60 60 VAL N N 60 119.548 119.548 118.613 0.935 18374 6984 1 24 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.359 -0.201 18374 6985 1 24 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.133 0.782 18374 6986 1 24 . 1 1 60 60 VAL CB C 60 32.515 32.515 29.856 2.659 18374 6987 1 24 . 1 1 60 60 VAL H H 60 8.072 8.072 7.500 0.572 18374 6988 1 24 . 1 1 61 61 THR N N 61 121.407 121.407 123.308 -1.901 18374 6989 1 24 . 1 1 61 61 THR HA H 61 4.509 4.509 4.443 0.066 18374 6990 1 24 . 1 1 61 61 THR CA C 61 59.848 59.848 61.670 -1.822 18374 6991 1 24 . 1 1 61 61 THR CB C 61 69.602 69.602 68.844 0.758 18374 6992 1 24 . 1 1 61 61 THR H H 61 8.335 8.335 7.746 0.589 18374 6993 1 24 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.404 -0.042 18374 6994 1 24 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.130 -0.227 18374 6995 1 24 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.314 -0.365 18374 6996 1 24 . 1 1 63 63 ALA N N 63 125.923 125.923 126.968 -1.045 18374 6997 1 24 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.425 0.113 18374 6998 1 24 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.765 -0.497 18374 6999 1 24 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.030 -1.330 18374 7000 1 24 . 1 1 63 63 ALA H H 63 8.368 8.368 8.059 0.309 18374 7001 1 24 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.437 -0.027 18374 7002 1 24 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.677 0.220 18374 7003 1 24 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.270 1.654 18374 7004 1 24 . 1 1 65 65 VAL N N 65 120.526 120.526 122.313 -1.787 18374 7005 1 24 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.198 -0.125 18374 7006 1 24 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.861 1.465 18374 7007 1 24 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.248 -1.168 18374 7008 1 24 . 1 1 65 65 VAL H H 65 8.270 8.270 7.672 0.598 18374 7009 1 25 . 1 1 2 2 ALA N N 2 123.688 123.688 126.117 -2.429 18374 7010 1 25 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.561 -0.263 18374 7011 1 25 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.165 0.545 18374 7012 1 25 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.948 0.287 18374 7013 1 25 . 1 1 2 2 ALA H H 2 8.653 8.653 8.342 0.311 18374 7014 1 25 . 1 1 3 3 MET N N 3 119.289 119.289 120.689 -1.400 18374 7015 1 25 . 1 1 3 3 MET HA H 3 4.426 4.426 4.524 -0.098 18374 7016 1 25 . 1 1 3 3 MET CA C 3 55.430 55.430 55.439 -0.009 18374 7017 1 25 . 1 1 3 3 MET CB C 3 32.532 32.532 33.185 -0.653 18374 7018 1 25 . 1 1 3 3 MET H H 3 8.545 8.545 8.128 0.417 18374 7019 1 25 . 1 1 4 4 GLU N N 4 122.149 122.149 118.953 3.196 18374 7020 1 25 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.163 0.081 18374 7021 1 25 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.335 -0.304 18374 7022 1 25 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.861 0.145 18374 7023 1 25 . 1 1 4 4 GLU H H 4 8.440 8.440 8.000 0.440 18374 7024 1 25 . 1 1 5 5 GLY N N 5 110.051 110.051 116.417 -6.366 18374 7025 1 25 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.454 -1.046 18374 7026 1 25 . 1 1 5 5 GLY H H 5 8.500 8.500 8.914 -0.414 18374 7027 1 25 . 1 1 6 6 GLN N N 6 119.509 119.509 122.998 -3.489 18374 7028 1 25 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.169 0.117 18374 7029 1 25 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.423 -1.423 18374 7030 1 25 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.314 -0.107 18374 7031 1 25 . 1 1 6 6 GLN H H 6 8.242 8.242 8.088 0.154 18374 7032 1 25 . 1 1 7 7 GLN N N 7 121.049 121.049 117.622 3.427 18374 7033 1 25 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.485 -0.224 18374 7034 1 25 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.750 1.354 18374 7035 1 25 . 1 1 7 7 GLN CB C 7 29.204 29.204 30.216 -1.012 18374 7036 1 25 . 1 1 7 7 GLN H H 7 8.534 8.534 7.672 0.862 18374 7037 1 25 . 1 1 8 8 ASN N N 8 119.289 119.289 119.819 -0.530 18374 7038 1 25 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.851 -0.206 18374 7039 1 25 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.502 0.605 18374 7040 1 25 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.697 -0.178 18374 7041 1 25 . 1 1 8 8 ASN H H 8 8.486 8.486 8.689 -0.203 18374 7042 1 25 . 1 1 9 9 LEU N N 9 122.204 122.204 125.422 -3.218 18374 7043 1 25 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.420 -0.130 18374 7044 1 25 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.562 0.154 18374 7045 1 25 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.754 0.643 18374 7046 1 25 . 1 1 9 9 LEU H H 9 8.145 8.145 8.548 -0.403 18374 7047 1 25 . 1 1 10 10 ALA N N 10 126.188 126.188 130.267 -4.079 18374 7048 1 25 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.693 -0.161 18374 7049 1 25 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.365 -0.028 18374 7050 1 25 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.050 -1.258 18374 7051 1 25 . 1 1 10 10 ALA H H 10 8.324 8.324 8.554 -0.230 18374 7052 1 25 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.422 -0.058 18374 7053 1 25 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.887 1.021 18374 7054 1 25 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.509 1.360 18374 7055 1 25 . 1 1 12 12 GLY N N 12 108.951 108.951 110.874 -1.923 18374 7056 1 25 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.753 0.468 18374 7057 1 25 . 1 1 12 12 GLY H H 12 8.501 8.501 7.983 0.518 18374 7058 1 25 . 1 1 13 13 ALA N N 13 123.134 123.134 129.408 -6.274 18374 7059 1 25 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.386 -0.152 18374 7060 1 25 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.819 0.290 18374 7061 1 25 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.484 1.041 18374 7062 1 25 . 1 1 13 13 ALA H H 13 7.957 7.957 8.576 -0.619 18374 7063 1 25 . 1 1 14 14 ARG N N 14 116.759 116.759 121.070 -4.311 18374 7064 1 25 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.626 -0.507 18374 7065 1 25 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.207 -0.397 18374 7066 1 25 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.483 -2.030 18374 7067 1 25 . 1 1 14 14 ARG H H 14 7.990 7.990 8.094 -0.104 18374 7068 1 25 . 1 1 15 15 CYS N N 15 123.688 123.688 124.038 -0.350 18374 7069 1 25 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.642 -0.625 18374 7070 1 25 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.208 -0.098 18374 7071 1 25 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.707 4.350 18374 7072 1 25 . 1 1 15 15 CYS H H 15 7.646 7.646 8.552 -0.906 18374 7073 1 25 . 1 1 16 16 GLY N N 16 117.749 117.749 115.976 1.773 18374 7074 1 25 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.206 -0.422 18374 7075 1 25 . 1 1 16 16 GLY H H 16 8.916 8.916 8.952 -0.036 18374 7076 1 25 . 1 1 17 17 VAL N N 17 122.602 122.602 119.379 3.223 18374 7077 1 25 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.944 0.070 18374 7078 1 25 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.413 0.618 18374 7079 1 25 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.476 1.364 18374 7080 1 25 . 1 1 17 17 VAL H H 17 8.856 8.856 8.028 0.828 18374 7081 1 25 . 1 1 18 18 CYS N N 18 115.430 115.430 116.665 -1.235 18374 7082 1 25 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.689 0.237 18374 7083 1 25 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.679 -1.500 18374 7084 1 25 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.439 1.171 18374 7085 1 25 . 1 1 18 18 CYS H H 18 7.758 7.758 8.181 -0.423 18374 7086 1 25 . 1 1 19 19 GLY N N 19 113.040 113.040 108.526 4.514 18374 7087 1 25 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.050 1.307 18374 7088 1 25 . 1 1 19 19 GLY H H 19 8.029 8.029 8.770 -0.741 18374 7089 1 25 . 1 1 20 20 ASP N N 20 123.399 123.399 121.111 2.288 18374 7090 1 25 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.881 0.126 18374 7091 1 25 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.783 -0.269 18374 7092 1 25 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.695 0.847 18374 7093 1 25 . 1 1 20 20 ASP H H 20 8.722 8.722 7.608 1.114 18374 7094 1 25 . 1 1 21 21 GLY N N 21 111.371 111.371 108.266 3.105 18374 7095 1 25 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.870 0.237 18374 7096 1 25 . 1 1 21 21 GLY H H 21 8.667 8.667 8.622 0.045 18374 7097 1 25 . 1 1 22 22 THR N N 22 118.220 118.220 116.545 1.675 18374 7098 1 25 . 1 1 22 22 THR HA H 22 3.979 3.979 4.250 -0.271 18374 7099 1 25 . 1 1 22 22 THR CA C 22 64.367 64.367 63.258 1.109 18374 7100 1 25 . 1 1 22 22 THR CB C 22 67.783 67.783 69.276 -1.493 18374 7101 1 25 . 1 1 22 22 THR H H 22 8.784 8.784 7.586 1.198 18374 7102 1 25 . 1 1 23 23 ASP N N 23 127.251 127.251 123.429 3.822 18374 7103 1 25 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.340 -0.039 18374 7104 1 25 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.899 0.528 18374 7105 1 25 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.437 -1.398 18374 7106 1 25 . 1 1 23 23 ASP H H 23 9.376 9.376 8.890 0.486 18374 7107 1 25 . 1 1 24 24 VAL N N 24 111.371 111.371 116.876 -5.505 18374 7108 1 25 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.440 -0.880 18374 7109 1 25 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.983 0.732 18374 7110 1 25 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.690 -1.397 18374 7111 1 25 . 1 1 24 24 VAL H H 24 7.402 7.402 7.688 -0.286 18374 7112 1 25 . 1 1 25 25 LEU N N 25 123.908 123.908 127.674 -3.766 18374 7113 1 25 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.564 -0.225 18374 7114 1 25 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.543 -1.021 18374 7115 1 25 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.799 -1.357 18374 7116 1 25 . 1 1 25 25 LEU H H 25 8.328 8.328 8.730 -0.402 18374 7117 1 25 . 1 1 26 26 ARG N N 26 116.626 116.626 120.262 -3.636 18374 7118 1 25 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.430 -0.329 18374 7119 1 25 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.302 -1.647 18374 7120 1 25 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.691 -0.023 18374 7121 1 25 . 1 1 26 26 ARG H H 26 7.877 7.877 8.134 -0.257 18374 7122 1 25 . 1 1 27 27 CYS N N 27 126.328 126.328 122.526 3.802 18374 7123 1 25 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.950 -0.635 18374 7124 1 25 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.027 1.371 18374 7125 1 25 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.693 1.974 18374 7126 1 25 . 1 1 27 27 CYS H H 27 9.182 9.182 8.330 0.852 18374 7127 1 25 . 1 1 28 28 THR N N 28 122.470 122.470 121.550 0.920 18374 7128 1 25 . 1 1 28 28 THR HA H 28 4.166 4.166 4.420 -0.254 18374 7129 1 25 . 1 1 28 28 THR CA C 28 64.686 64.686 64.043 0.643 18374 7130 1 25 . 1 1 28 28 THR CB C 28 69.846 69.846 69.082 0.764 18374 7131 1 25 . 1 1 28 28 THR H H 28 8.956 8.956 9.097 -0.141 18374 7132 1 25 . 1 1 29 29 HIS N N 29 123.908 123.908 119.349 4.559 18374 7133 1 25 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.624 0.285 18374 7134 1 25 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.355 0.749 18374 7135 1 25 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.062 -0.517 18374 7136 1 25 . 1 1 29 29 HIS H H 29 9.464 9.464 8.407 1.057 18374 7137 1 25 . 1 1 30 30 CYS N N 30 119.946 119.946 114.758 5.188 18374 7138 1 25 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.899 -0.088 18374 7139 1 25 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.066 3.024 18374 7140 1 25 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.002 1.896 18374 7141 1 25 . 1 1 30 30 CYS H H 30 8.710 8.710 7.857 0.853 18374 7142 1 25 . 1 1 31 31 ALA N N 31 120.477 120.477 124.351 -3.874 18374 7143 1 25 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.562 -0.278 18374 7144 1 25 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.908 2.582 18374 7145 1 25 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.995 -1.577 18374 7146 1 25 . 1 1 31 31 ALA H H 31 7.626 7.626 8.496 -0.870 18374 7147 1 25 . 1 1 32 32 ALA N N 32 125.524 125.524 125.978 -0.454 18374 7148 1 25 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.530 -0.284 18374 7149 1 25 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.792 1.048 18374 7150 1 25 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.451 -1.117 18374 7151 1 25 . 1 1 32 32 ALA H H 32 9.152 9.152 8.423 0.729 18374 7152 1 25 . 1 1 33 33 ALA N N 33 123.257 123.257 126.487 -3.230 18374 7153 1 25 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.596 -0.186 18374 7154 1 25 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.276 -0.470 18374 7155 1 25 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.045 -0.417 18374 7156 1 25 . 1 1 33 33 ALA H H 33 8.490 8.490 8.637 -0.147 18374 7157 1 25 . 1 1 34 34 PHE N N 34 118.220 118.220 120.656 -2.436 18374 7158 1 25 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.711 0.363 18374 7159 1 25 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.246 -0.484 18374 7160 1 25 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.812 -1.590 18374 7161 1 25 . 1 1 34 34 PHE H H 34 8.948 8.948 8.788 0.160 18374 7162 1 25 . 1 1 35 35 HIS N N 35 116.759 116.759 120.028 -3.269 18374 7163 1 25 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.891 -0.005 18374 7164 1 25 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.471 1.667 18374 7165 1 25 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.752 0.271 18374 7166 1 25 . 1 1 35 35 HIS H H 35 7.932 7.932 8.041 -0.109 18374 7167 1 25 . 1 1 36 36 TRP N N 36 127.649 127.649 126.696 0.953 18374 7168 1 25 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.567 -0.129 18374 7169 1 25 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.983 0.390 18374 7170 1 25 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.794 -0.470 18374 7171 1 25 . 1 1 36 36 TRP H H 36 9.421 9.421 9.150 0.271 18374 7172 1 25 . 1 1 37 37 ARG N N 37 113.040 113.040 116.128 -3.088 18374 7173 1 25 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.515 -0.111 18374 7174 1 25 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.154 -0.681 18374 7175 1 25 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.693 -0.526 18374 7176 1 25 . 1 1 37 37 ARG H H 37 9.075 9.075 8.599 0.476 18374 7177 1 25 . 1 1 38 38 CYS N N 38 116.493 116.493 115.544 0.949 18374 7178 1 25 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.602 -0.384 18374 7179 1 25 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.868 2.591 18374 7180 1 25 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.253 2.423 18374 7181 1 25 . 1 1 38 38 CYS H H 38 7.169 7.169 8.084 -0.915 18374 7182 1 25 . 1 1 39 39 HIS N N 39 118.220 118.220 116.877 1.343 18374 7183 1 25 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.425 -0.202 18374 7184 1 25 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.823 1.653 18374 7185 1 25 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.121 3.219 18374 7186 1 25 . 1 1 39 39 HIS H H 39 7.562 7.562 7.657 -0.095 18374 7187 1 25 . 1 1 40 40 PHE N N 40 117.157 117.157 118.352 -1.195 18374 7188 1 25 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.686 0.097 18374 7189 1 25 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.295 -2.636 18374 7190 1 25 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.810 -1.003 18374 7191 1 25 . 1 1 40 40 PHE H H 40 8.282 8.282 8.131 0.151 18374 7192 1 25 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.483 0.004 18374 7193 1 25 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.945 0.274 18374 7194 1 25 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.212 0.003 18374 7195 1 25 . 1 1 42 42 ALA N N 42 123.001 123.001 125.664 -2.663 18374 7196 1 25 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.173 0.185 18374 7197 1 25 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.231 -1.218 18374 7198 1 25 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.823 -0.182 18374 7199 1 25 . 1 1 42 42 ALA H H 42 8.635 8.635 8.597 0.038 18374 7200 1 25 . 1 1 43 43 GLY N N 43 108.291 108.291 104.504 3.787 18374 7201 1 25 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.136 0.330 18374 7202 1 25 . 1 1 43 43 GLY H H 43 8.529 8.529 8.240 0.289 18374 7203 1 25 . 1 1 44 44 THR N N 44 113.961 113.961 119.689 -5.728 18374 7204 1 25 . 1 1 44 44 THR HA H 44 4.424 4.424 4.517 -0.093 18374 7205 1 25 . 1 1 44 44 THR CA C 44 62.074 62.074 62.400 -0.326 18374 7206 1 25 . 1 1 44 44 THR CB C 44 70.259 70.259 69.784 0.475 18374 7207 1 25 . 1 1 44 44 THR H H 44 7.971 7.971 8.030 -0.059 18374 7208 1 25 . 1 1 45 45 SER N N 45 120.467 120.467 121.627 -1.160 18374 7209 1 25 . 1 1 45 45 SER HA H 45 4.280 4.280 4.600 -0.320 18374 7210 1 25 . 1 1 45 45 SER CA C 45 58.274 58.274 58.035 0.239 18374 7211 1 25 . 1 1 45 45 SER CB C 45 63.906 63.906 64.158 -0.252 18374 7212 1 25 . 1 1 45 45 SER H H 45 8.644 8.644 8.704 -0.060 18374 7213 1 25 . 1 1 46 46 ARG N N 46 124.196 124.196 124.388 -0.192 18374 7214 1 25 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.132 0.788 18374 7215 1 25 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.560 -0.408 18374 7216 1 25 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.081 -0.179 18374 7217 1 25 . 1 1 46 46 ARG H H 46 8.197 8.197 8.268 -0.071 18374 7218 1 25 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.336 -0.038 18374 7219 1 25 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.509 0.309 18374 7220 1 25 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.631 -0.445 18374 7221 1 25 . 1 1 48 48 GLY N N 48 108.071 108.071 106.490 1.581 18374 7222 1 25 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.485 0.194 18374 7223 1 25 . 1 1 48 48 GLY H H 48 8.492 8.492 8.652 -0.160 18374 7224 1 25 . 1 1 49 49 THR N N 49 111.151 111.151 114.691 -3.540 18374 7225 1 25 . 1 1 49 49 THR HA H 49 4.377 4.377 4.521 -0.144 18374 7226 1 25 . 1 1 49 49 THR CA C 49 60.690 60.690 61.181 -0.491 18374 7227 1 25 . 1 1 49 49 THR CB C 49 70.332 70.332 69.499 0.833 18374 7228 1 25 . 1 1 49 49 THR H H 49 7.669 7.669 7.786 -0.117 18374 7229 1 25 . 1 1 50 50 GLY N N 50 110.491 110.491 109.088 1.403 18374 7230 1 25 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.608 1.573 18374 7231 1 25 . 1 1 50 50 GLY H H 50 8.459 8.459 7.505 0.954 18374 7232 1 25 . 1 1 51 51 LEU N N 51 121.407 121.407 123.471 -2.064 18374 7233 1 25 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.440 -0.158 18374 7234 1 25 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.650 1.718 18374 7235 1 25 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.761 0.058 18374 7236 1 25 . 1 1 51 51 LEU H H 51 8.248 8.248 8.559 -0.311 18374 7237 1 25 . 1 1 52 52 ARG N N 52 124.997 124.997 125.536 -0.539 18374 7238 1 25 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.855 0.992 18374 7239 1 25 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.879 -0.748 18374 7240 1 25 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.510 2.475 18374 7241 1 25 . 1 1 52 52 ARG H H 52 8.639 8.639 8.552 0.087 18374 7242 1 25 . 1 1 53 53 CYS N N 53 120.743 120.743 122.000 -1.257 18374 7243 1 25 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.721 -1.228 18374 7244 1 25 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.113 0.091 18374 7245 1 25 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.833 -0.054 18374 7246 1 25 . 1 1 53 53 CYS H H 53 8.933 8.933 8.528 0.405 18374 7247 1 25 . 1 1 54 54 ARG N N 54 121.407 121.407 120.293 1.114 18374 7248 1 25 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.101 -0.291 18374 7249 1 25 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.907 0.480 18374 7250 1 25 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.431 -0.548 18374 7251 1 25 . 1 1 54 54 ARG H H 54 10.380 10.380 8.467 1.913 18374 7252 1 25 . 1 1 55 55 SER N N 55 117.300 117.300 115.016 2.284 18374 7253 1 25 . 1 1 55 55 SER HA H 55 4.258 4.258 4.279 -0.021 18374 7254 1 25 . 1 1 55 55 SER CA C 55 61.216 61.216 61.071 0.145 18374 7255 1 25 . 1 1 55 55 SER CB C 55 62.830 62.830 62.784 0.046 18374 7256 1 25 . 1 1 55 55 SER H H 55 8.228 8.228 8.021 0.207 18374 7257 1 25 . 1 1 56 56 CYS N N 56 122.602 122.602 119.400 3.202 18374 7258 1 25 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.353 -0.167 18374 7259 1 25 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.029 0.213 18374 7260 1 25 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.060 2.856 18374 7261 1 25 . 1 1 56 56 CYS H H 56 7.999 7.999 7.644 0.355 18374 7262 1 25 . 1 1 57 57 SER N N 57 115.430 115.430 113.205 2.225 18374 7263 1 25 . 1 1 57 57 SER HA H 57 4.266 4.266 4.360 -0.094 18374 7264 1 25 . 1 1 57 57 SER CA C 57 59.992 59.992 58.807 1.185 18374 7265 1 25 . 1 1 57 57 SER CB C 57 63.492 63.492 63.816 -0.323 18374 7266 1 25 . 1 1 57 57 SER H H 57 7.938 7.938 8.035 -0.097 18374 7267 1 25 . 1 1 58 58 GLY N N 58 109.391 109.391 110.287 -0.896 18374 7268 1 25 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.682 0.744 18374 7269 1 25 . 1 1 58 58 GLY H H 58 8.013 8.013 7.340 0.673 18374 7270 1 25 . 1 1 59 59 ASP N N 59 120.345 120.345 123.880 -3.535 18374 7271 1 25 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.678 -0.087 18374 7272 1 25 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.290 0.002 18374 7273 1 25 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.581 0.502 18374 7274 1 25 . 1 1 59 59 ASP H H 59 8.130 8.130 8.433 -0.303 18374 7275 1 25 . 1 1 60 60 VAL N N 60 119.548 119.548 123.185 -3.637 18374 7276 1 25 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.397 -0.239 18374 7277 1 25 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.791 0.124 18374 7278 1 25 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.415 -1.900 18374 7279 1 25 . 1 1 60 60 VAL H H 60 8.072 8.072 7.664 0.408 18374 7280 1 25 . 1 1 61 61 THR N N 61 121.407 121.407 119.834 1.573 18374 7281 1 25 . 1 1 61 61 THR HA H 61 4.509 4.509 4.512 -0.003 18374 7282 1 25 . 1 1 61 61 THR CA C 61 59.848 59.848 59.811 0.037 18374 7283 1 25 . 1 1 61 61 THR CB C 61 69.602 69.602 68.825 0.777 18374 7284 1 25 . 1 1 61 61 THR H H 61 8.335 8.335 8.003 0.332 18374 7285 1 25 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.435 -0.073 18374 7286 1 25 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.709 0.194 18374 7287 1 25 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.523 -0.574 18374 7288 1 25 . 1 1 63 63 ALA N N 63 125.923 125.923 127.612 -1.689 18374 7289 1 25 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.389 0.149 18374 7290 1 25 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.573 -0.305 18374 7291 1 25 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.753 -1.053 18374 7292 1 25 . 1 1 63 63 ALA H H 63 8.368 8.368 8.346 0.022 18374 7293 1 25 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.391 0.019 18374 7294 1 25 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.479 -0.582 18374 7295 1 25 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.106 1.818 18374 7296 1 25 . 1 1 65 65 VAL N N 65 120.526 120.526 116.720 3.806 18374 7297 1 25 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.305 -0.232 18374 7298 1 25 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.582 0.744 18374 7299 1 25 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.554 -0.474 18374 7300 1 25 . 1 1 65 65 VAL H H 65 8.270 8.270 8.205 0.065 18374 7301 1 26 . 1 1 2 2 ALA N N 2 123.688 123.688 124.562 -0.874 18374 7302 1 26 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.776 -0.478 18374 7303 1 26 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.465 0.245 18374 7304 1 26 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.843 -0.608 18374 7305 1 26 . 1 1 2 2 ALA H H 2 8.653 8.653 8.261 0.392 18374 7306 1 26 . 1 1 3 3 MET N N 3 119.289 119.289 121.708 -2.419 18374 7307 1 26 . 1 1 3 3 MET HA H 3 4.426 4.426 4.277 0.149 18374 7308 1 26 . 1 1 3 3 MET CA C 3 55.430 55.430 57.266 -1.836 18374 7309 1 26 . 1 1 3 3 MET CB C 3 32.532 32.532 32.776 -0.244 18374 7310 1 26 . 1 1 3 3 MET H H 3 8.545 8.545 8.468 0.077 18374 7311 1 26 . 1 1 4 4 GLU N N 4 122.149 122.149 118.566 3.583 18374 7312 1 26 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.389 -0.145 18374 7313 1 26 . 1 1 4 4 GLU CA C 4 57.031 57.031 59.121 -2.090 18374 7314 1 26 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.159 0.847 18374 7315 1 26 . 1 1 4 4 GLU H H 4 8.440 8.440 8.845 -0.405 18374 7316 1 26 . 1 1 5 5 GLY N N 5 110.051 110.051 107.539 2.512 18374 7317 1 26 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.380 -0.972 18374 7318 1 26 . 1 1 5 5 GLY H H 5 8.500 8.500 8.408 0.092 18374 7319 1 26 . 1 1 6 6 GLN N N 6 119.509 119.509 117.559 1.950 18374 7320 1 26 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.565 -0.279 18374 7321 1 26 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.059 0.941 18374 7322 1 26 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.868 0.340 18374 7323 1 26 . 1 1 6 6 GLN H H 6 8.242 8.242 7.497 0.745 18374 7324 1 26 . 1 1 7 7 GLN N N 7 121.049 121.049 118.834 2.215 18374 7325 1 26 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.342 -0.081 18374 7326 1 26 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.959 0.145 18374 7327 1 26 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.074 1.130 18374 7328 1 26 . 1 1 7 7 GLN H H 7 8.534 8.534 7.561 0.973 18374 7329 1 26 . 1 1 8 8 ASN N N 8 119.289 119.289 115.213 4.076 18374 7330 1 26 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.618 0.027 18374 7331 1 26 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.914 -0.807 18374 7332 1 26 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.466 0.053 18374 7333 1 26 . 1 1 8 8 ASN H H 8 8.486 8.486 8.386 0.100 18374 7334 1 26 . 1 1 9 9 LEU N N 9 122.204 122.204 122.858 -0.654 18374 7335 1 26 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.510 -0.219 18374 7336 1 26 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.794 0.922 18374 7337 1 26 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.740 1.657 18374 7338 1 26 . 1 1 9 9 LEU H H 9 8.145 8.145 7.505 0.640 18374 7339 1 26 . 1 1 10 10 ALA N N 10 126.188 126.188 126.868 -0.680 18374 7340 1 26 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.463 0.069 18374 7341 1 26 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.294 0.043 18374 7342 1 26 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.752 -0.959 18374 7343 1 26 . 1 1 10 10 ALA H H 10 8.324 8.324 8.134 0.190 18374 7344 1 26 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.453 -0.089 18374 7345 1 26 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.141 0.767 18374 7346 1 26 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.368 0.501 18374 7347 1 26 . 1 1 12 12 GLY N N 12 108.951 108.951 108.622 0.329 18374 7348 1 26 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.330 -0.108 18374 7349 1 26 . 1 1 12 12 GLY H H 12 8.501 8.501 7.483 1.018 18374 7350 1 26 . 1 1 13 13 ALA N N 13 123.134 123.134 123.385 -0.251 18374 7351 1 26 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.626 -0.392 18374 7352 1 26 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.457 0.652 18374 7353 1 26 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.120 1.405 18374 7354 1 26 . 1 1 13 13 ALA H H 13 7.957 7.957 7.695 0.262 18374 7355 1 26 . 1 1 14 14 ARG N N 14 116.759 116.759 121.959 -5.200 18374 7356 1 26 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.563 -0.444 18374 7357 1 26 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.767 -0.957 18374 7358 1 26 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.055 -1.602 18374 7359 1 26 . 1 1 14 14 ARG H H 14 7.990 7.990 7.914 0.076 18374 7360 1 26 . 1 1 15 15 CYS N N 15 123.688 123.688 124.965 -1.277 18374 7361 1 26 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.760 -0.743 18374 7362 1 26 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.632 0.478 18374 7363 1 26 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.548 4.509 18374 7364 1 26 . 1 1 15 15 CYS H H 15 7.646 7.646 8.492 -0.846 18374 7365 1 26 . 1 1 16 16 GLY N N 16 117.749 117.749 116.125 1.624 18374 7366 1 26 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.411 0.374 18374 7367 1 26 . 1 1 16 16 GLY H H 16 8.916 8.916 8.966 -0.050 18374 7368 1 26 . 1 1 17 17 VAL N N 17 122.602 122.602 119.869 2.733 18374 7369 1 26 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.068 -0.054 18374 7370 1 26 . 1 1 17 17 VAL CA C 17 65.031 65.031 63.743 1.288 18374 7371 1 26 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.931 0.909 18374 7372 1 26 . 1 1 17 17 VAL H H 17 8.856 8.856 7.918 0.938 18374 7373 1 26 . 1 1 18 18 CYS N N 18 115.430 115.430 112.619 2.811 18374 7374 1 26 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.826 0.100 18374 7375 1 26 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.855 -0.676 18374 7376 1 26 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.077 0.534 18374 7377 1 26 . 1 1 18 18 CYS H H 18 7.758 7.758 7.735 0.023 18374 7378 1 26 . 1 1 19 19 GLY N N 19 113.040 113.040 111.086 1.954 18374 7379 1 26 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.026 1.331 18374 7380 1 26 . 1 1 19 19 GLY H H 19 8.029 8.029 8.657 -0.628 18374 7381 1 26 . 1 1 20 20 ASP N N 20 123.399 123.399 121.144 2.255 18374 7382 1 26 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.945 0.062 18374 7383 1 26 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.116 -0.602 18374 7384 1 26 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.403 1.139 18374 7385 1 26 . 1 1 20 20 ASP H H 20 8.722 8.722 7.788 0.934 18374 7386 1 26 . 1 1 21 21 GLY N N 21 111.371 111.371 108.548 2.823 18374 7387 1 26 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.112 -0.005 18374 7388 1 26 . 1 1 21 21 GLY H H 21 8.667 8.667 8.588 0.079 18374 7389 1 26 . 1 1 22 22 THR N N 22 118.220 118.220 116.752 1.468 18374 7390 1 26 . 1 1 22 22 THR HA H 22 3.979 3.979 4.321 -0.342 18374 7391 1 26 . 1 1 22 22 THR CA C 22 64.367 64.367 63.319 1.048 18374 7392 1 26 . 1 1 22 22 THR CB C 22 67.783 67.783 69.339 -1.556 18374 7393 1 26 . 1 1 22 22 THR H H 22 8.784 8.784 7.666 1.118 18374 7394 1 26 . 1 1 23 23 ASP N N 23 127.251 127.251 122.153 5.098 18374 7395 1 26 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.323 -0.022 18374 7396 1 26 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.350 0.076 18374 7397 1 26 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.349 -1.310 18374 7398 1 26 . 1 1 23 23 ASP H H 23 9.376 9.376 8.824 0.552 18374 7399 1 26 . 1 1 24 24 VAL N N 24 111.371 111.371 117.612 -6.241 18374 7400 1 26 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.453 -0.893 18374 7401 1 26 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.128 0.588 18374 7402 1 26 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.124 -0.832 18374 7403 1 26 . 1 1 24 24 VAL H H 24 7.402 7.402 7.773 -0.371 18374 7404 1 26 . 1 1 25 25 LEU N N 25 123.908 123.908 128.028 -4.120 18374 7405 1 26 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.649 -0.310 18374 7406 1 26 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.311 -0.789 18374 7407 1 26 . 1 1 25 25 LEU CB C 25 42.442 42.442 44.051 -1.609 18374 7408 1 26 . 1 1 25 25 LEU H H 25 8.328 8.328 8.798 -0.470 18374 7409 1 26 . 1 1 26 26 ARG N N 26 116.626 116.626 118.391 -1.765 18374 7410 1 26 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.474 -0.373 18374 7411 1 26 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.129 -0.474 18374 7412 1 26 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.057 -0.389 18374 7413 1 26 . 1 1 26 26 ARG H H 26 7.877 7.877 8.210 -0.333 18374 7414 1 26 . 1 1 27 27 CYS N N 27 126.328 126.328 123.026 3.302 18374 7415 1 26 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.922 -0.607 18374 7416 1 26 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.950 1.448 18374 7417 1 26 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.920 1.747 18374 7418 1 26 . 1 1 27 27 CYS H H 27 9.182 9.182 8.683 0.499 18374 7419 1 26 . 1 1 28 28 THR N N 28 122.470 122.470 120.395 2.075 18374 7420 1 26 . 1 1 28 28 THR HA H 28 4.166 4.166 4.341 -0.175 18374 7421 1 26 . 1 1 28 28 THR CA C 28 64.686 64.686 64.066 0.620 18374 7422 1 26 . 1 1 28 28 THR CB C 28 69.846 69.846 69.339 0.507 18374 7423 1 26 . 1 1 28 28 THR H H 28 8.956 8.956 8.802 0.154 18374 7424 1 26 . 1 1 29 29 HIS N N 29 123.908 123.908 118.832 5.076 18374 7425 1 26 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.640 0.269 18374 7426 1 26 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.193 0.911 18374 7427 1 26 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.156 -0.611 18374 7428 1 26 . 1 1 29 29 HIS H H 29 9.464 9.464 8.096 1.368 18374 7429 1 26 . 1 1 30 30 CYS N N 30 119.946 119.946 116.822 3.124 18374 7430 1 26 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.718 0.093 18374 7431 1 26 . 1 1 30 30 CYS CA C 30 59.090 59.090 57.228 1.862 18374 7432 1 26 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.874 2.024 18374 7433 1 26 . 1 1 30 30 CYS H H 30 8.710 8.710 7.809 0.901 18374 7434 1 26 . 1 1 31 31 ALA N N 31 120.477 120.477 124.627 -4.150 18374 7435 1 26 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.489 -0.205 18374 7436 1 26 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.901 2.588 18374 7437 1 26 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.904 -1.486 18374 7438 1 26 . 1 1 31 31 ALA H H 31 7.626 7.626 8.425 -0.799 18374 7439 1 26 . 1 1 32 32 ALA N N 32 125.524 125.524 125.744 -0.220 18374 7440 1 26 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.571 -0.325 18374 7441 1 26 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.611 1.230 18374 7442 1 26 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.792 -1.458 18374 7443 1 26 . 1 1 32 32 ALA H H 32 9.152 9.152 8.406 0.746 18374 7444 1 26 . 1 1 33 33 ALA N N 33 123.257 123.257 126.895 -3.638 18374 7445 1 26 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.559 -0.149 18374 7446 1 26 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.398 -0.592 18374 7447 1 26 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.506 0.122 18374 7448 1 26 . 1 1 33 33 ALA H H 33 8.490 8.490 8.627 -0.137 18374 7449 1 26 . 1 1 34 34 PHE N N 34 118.220 118.220 120.147 -1.927 18374 7450 1 26 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.872 0.202 18374 7451 1 26 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.439 -0.677 18374 7452 1 26 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.004 -1.782 18374 7453 1 26 . 1 1 34 34 PHE H H 34 8.948 8.948 8.606 0.342 18374 7454 1 26 . 1 1 35 35 HIS N N 35 116.759 116.759 119.793 -3.034 18374 7455 1 26 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.964 -0.078 18374 7456 1 26 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.473 1.665 18374 7457 1 26 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.492 -0.469 18374 7458 1 26 . 1 1 35 35 HIS H H 35 7.932 7.932 8.127 -0.195 18374 7459 1 26 . 1 1 36 36 TRP N N 36 127.649 127.649 126.535 1.114 18374 7460 1 26 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.721 -0.283 18374 7461 1 26 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.297 0.076 18374 7462 1 26 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.011 -0.687 18374 7463 1 26 . 1 1 36 36 TRP H H 36 9.421 9.421 9.179 0.242 18374 7464 1 26 . 1 1 37 37 ARG N N 37 113.040 113.040 115.080 -2.040 18374 7465 1 26 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.474 -0.070 18374 7466 1 26 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.256 -0.783 18374 7467 1 26 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.677 -0.510 18374 7468 1 26 . 1 1 37 37 ARG H H 37 9.075 9.075 8.623 0.452 18374 7469 1 26 . 1 1 38 38 CYS N N 38 116.493 116.493 115.746 0.747 18374 7470 1 26 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.510 -0.292 18374 7471 1 26 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.336 3.123 18374 7472 1 26 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.261 2.415 18374 7473 1 26 . 1 1 38 38 CYS H H 38 7.169 7.169 7.625 -0.456 18374 7474 1 26 . 1 1 39 39 HIS N N 39 118.220 118.220 116.946 1.274 18374 7475 1 26 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.413 -0.190 18374 7476 1 26 . 1 1 39 39 HIS CA C 39 58.476 58.476 58.088 0.388 18374 7477 1 26 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.523 3.817 18374 7478 1 26 . 1 1 39 39 HIS H H 39 7.562 7.562 7.813 -0.251 18374 7479 1 26 . 1 1 40 40 PHE N N 40 117.157 117.157 118.152 -0.995 18374 7480 1 26 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.716 0.067 18374 7481 1 26 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.348 -2.689 18374 7482 1 26 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.423 -0.616 18374 7483 1 26 . 1 1 40 40 PHE H H 40 8.282 8.282 8.030 0.252 18374 7484 1 26 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.574 -0.087 18374 7485 1 26 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.715 0.504 18374 7486 1 26 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.401 -0.186 18374 7487 1 26 . 1 1 42 42 ALA N N 42 123.001 123.001 123.249 -0.248 18374 7488 1 26 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.256 0.102 18374 7489 1 26 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.147 -1.134 18374 7490 1 26 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.752 -0.111 18374 7491 1 26 . 1 1 42 42 ALA H H 42 8.635 8.635 8.469 0.166 18374 7492 1 26 . 1 1 43 43 GLY N N 43 108.291 108.291 104.943 3.348 18374 7493 1 26 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.950 0.516 18374 7494 1 26 . 1 1 43 43 GLY H H 43 8.529 8.529 8.162 0.367 18374 7495 1 26 . 1 1 44 44 THR N N 44 113.961 113.961 118.152 -4.191 18374 7496 1 26 . 1 1 44 44 THR HA H 44 4.424 4.424 4.472 -0.048 18374 7497 1 26 . 1 1 44 44 THR CA C 44 62.074 62.074 62.814 -0.740 18374 7498 1 26 . 1 1 44 44 THR CB C 44 70.259 70.259 69.851 0.408 18374 7499 1 26 . 1 1 44 44 THR H H 44 7.971 7.971 7.765 0.206 18374 7500 1 26 . 1 1 45 45 SER N N 45 120.467 120.467 120.528 -0.061 18374 7501 1 26 . 1 1 45 45 SER HA H 45 4.280 4.280 4.560 -0.280 18374 7502 1 26 . 1 1 45 45 SER CA C 45 58.274 58.274 57.881 0.393 18374 7503 1 26 . 1 1 45 45 SER CB C 45 63.906 63.906 63.987 -0.081 18374 7504 1 26 . 1 1 45 45 SER H H 45 8.644 8.644 8.506 0.138 18374 7505 1 26 . 1 1 46 46 ARG N N 46 124.196 124.196 126.580 -2.384 18374 7506 1 26 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.248 0.672 18374 7507 1 26 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.124 0.028 18374 7508 1 26 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.059 -0.157 18374 7509 1 26 . 1 1 46 46 ARG H H 46 8.197 8.197 8.189 0.008 18374 7510 1 26 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.440 -0.142 18374 7511 1 26 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.079 0.739 18374 7512 1 26 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.792 -0.606 18374 7513 1 26 . 1 1 48 48 GLY N N 48 108.071 108.071 111.396 -3.325 18374 7514 1 26 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.211 -0.532 18374 7515 1 26 . 1 1 48 48 GLY H H 48 8.492 8.492 8.604 -0.112 18374 7516 1 26 . 1 1 49 49 THR N N 49 111.151 111.151 111.631 -0.480 18374 7517 1 26 . 1 1 49 49 THR HA H 49 4.377 4.377 4.456 -0.079 18374 7518 1 26 . 1 1 49 49 THR CA C 49 60.690 60.690 60.499 0.191 18374 7519 1 26 . 1 1 49 49 THR CB C 49 70.332 70.332 68.911 1.421 18374 7520 1 26 . 1 1 49 49 THR H H 49 7.669 7.669 7.678 -0.009 18374 7521 1 26 . 1 1 50 50 GLY N N 50 110.491 110.491 110.286 0.205 18374 7522 1 26 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.959 1.222 18374 7523 1 26 . 1 1 50 50 GLY H H 50 8.459 8.459 7.718 0.741 18374 7524 1 26 . 1 1 51 51 LEU N N 51 121.407 121.407 121.834 -0.427 18374 7525 1 26 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.276 0.006 18374 7526 1 26 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.269 1.099 18374 7527 1 26 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.352 0.467 18374 7528 1 26 . 1 1 51 51 LEU H H 51 8.248 8.248 8.031 0.217 18374 7529 1 26 . 1 1 52 52 ARG N N 52 124.997 124.997 125.135 -0.138 18374 7530 1 26 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.726 1.121 18374 7531 1 26 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.204 -1.073 18374 7532 1 26 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.760 2.225 18374 7533 1 26 . 1 1 52 52 ARG H H 52 8.639 8.639 8.471 0.168 18374 7534 1 26 . 1 1 53 53 CYS N N 53 120.743 120.743 120.586 0.157 18374 7535 1 26 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.509 -1.016 18374 7536 1 26 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.928 0.276 18374 7537 1 26 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.141 1.638 18374 7538 1 26 . 1 1 53 53 CYS H H 53 8.933 8.933 8.542 0.391 18374 7539 1 26 . 1 1 54 54 ARG N N 54 121.407 121.407 120.848 0.559 18374 7540 1 26 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.922 -0.112 18374 7541 1 26 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.334 -0.947 18374 7542 1 26 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.965 -1.082 18374 7543 1 26 . 1 1 54 54 ARG H H 54 10.380 10.380 8.611 1.769 18374 7544 1 26 . 1 1 55 55 SER N N 55 117.300 117.300 115.143 2.157 18374 7545 1 26 . 1 1 55 55 SER HA H 55 4.258 4.258 4.288 -0.030 18374 7546 1 26 . 1 1 55 55 SER CA C 55 61.216 61.216 61.028 0.188 18374 7547 1 26 . 1 1 55 55 SER CB C 55 62.830 62.830 63.059 -0.229 18374 7548 1 26 . 1 1 55 55 SER H H 55 8.228 8.228 8.297 -0.069 18374 7549 1 26 . 1 1 56 56 CYS N N 56 122.602 122.602 119.572 3.030 18374 7550 1 26 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.374 -0.188 18374 7551 1 26 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.908 0.334 18374 7552 1 26 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.635 3.281 18374 7553 1 26 . 1 1 56 56 CYS H H 56 7.999 7.999 7.699 0.300 18374 7554 1 26 . 1 1 57 57 SER N N 57 115.430 115.430 113.863 1.567 18374 7555 1 26 . 1 1 57 57 SER HA H 57 4.266 4.266 4.657 -0.391 18374 7556 1 26 . 1 1 57 57 SER CA C 57 59.992 59.992 59.019 0.973 18374 7557 1 26 . 1 1 57 57 SER CB C 57 63.492 63.492 63.581 -0.089 18374 7558 1 26 . 1 1 57 57 SER H H 57 7.938 7.938 7.841 0.097 18374 7559 1 26 . 1 1 58 58 GLY N N 58 109.391 109.391 110.313 -0.922 18374 7560 1 26 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.744 0.682 18374 7561 1 26 . 1 1 58 58 GLY H H 58 8.013 8.013 7.584 0.429 18374 7562 1 26 . 1 1 59 59 ASP N N 59 120.345 120.345 122.533 -2.188 18374 7563 1 26 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.731 -0.140 18374 7564 1 26 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.083 0.209 18374 7565 1 26 . 1 1 59 59 ASP CB C 59 41.083 41.083 39.928 1.155 18374 7566 1 26 . 1 1 59 59 ASP H H 59 8.130 8.130 8.431 -0.301 18374 7567 1 26 . 1 1 60 60 VAL N N 60 119.548 119.548 124.259 -4.711 18374 7568 1 26 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.256 -0.098 18374 7569 1 26 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.547 0.368 18374 7570 1 26 . 1 1 60 60 VAL CB C 60 32.515 32.515 31.604 0.911 18374 7571 1 26 . 1 1 60 60 VAL H H 60 8.072 8.072 7.898 0.174 18374 7572 1 26 . 1 1 61 61 THR N N 61 121.407 121.407 123.473 -2.066 18374 7573 1 26 . 1 1 61 61 THR HA H 61 4.509 4.509 4.519 -0.010 18374 7574 1 26 . 1 1 61 61 THR CA C 61 59.848 59.848 60.551 -0.703 18374 7575 1 26 . 1 1 61 61 THR CB C 61 69.602 69.602 68.567 1.035 18374 7576 1 26 . 1 1 61 61 THR H H 61 8.335 8.335 8.378 -0.043 18374 7577 1 26 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.498 -0.136 18374 7578 1 26 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.792 0.111 18374 7579 1 26 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.397 -0.448 18374 7580 1 26 . 1 1 63 63 ALA N N 63 125.923 125.923 128.139 -2.216 18374 7581 1 26 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.593 -0.055 18374 7582 1 26 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.167 0.101 18374 7583 1 26 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.954 -1.254 18374 7584 1 26 . 1 1 63 63 ALA H H 63 8.368 8.368 8.273 0.095 18374 7585 1 26 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.382 0.028 18374 7586 1 26 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.087 -0.190 18374 7587 1 26 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.938 0.986 18374 7588 1 26 . 1 1 65 65 VAL N N 65 120.526 120.526 121.236 -0.710 18374 7589 1 26 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.277 -0.204 18374 7590 1 26 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.318 0.008 18374 7591 1 26 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.198 -0.118 18374 7592 1 26 . 1 1 65 65 VAL H H 65 8.270 8.270 8.024 0.246 18374 7593 1 27 . 1 1 2 2 ALA N N 2 123.688 123.688 122.928 0.760 18374 7594 1 27 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.739 -0.441 18374 7595 1 27 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.517 1.193 18374 7596 1 27 . 1 1 2 2 ALA CB C 2 19.235 19.235 20.128 -0.893 18374 7597 1 27 . 1 1 2 2 ALA H H 2 8.653 8.653 8.549 0.104 18374 7598 1 27 . 1 1 3 3 MET N N 3 119.289 119.289 119.051 0.238 18374 7599 1 27 . 1 1 3 3 MET HA H 3 4.426 4.426 4.339 0.087 18374 7600 1 27 . 1 1 3 3 MET CA C 3 55.430 55.430 56.667 -1.237 18374 7601 1 27 . 1 1 3 3 MET CB C 3 32.532 32.532 31.694 0.839 18374 7602 1 27 . 1 1 3 3 MET H H 3 8.545 8.545 8.242 0.303 18374 7603 1 27 . 1 1 4 4 GLU N N 4 122.149 122.149 116.495 5.654 18374 7604 1 27 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.150 0.094 18374 7605 1 27 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.460 0.571 18374 7606 1 27 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.637 0.369 18374 7607 1 27 . 1 1 4 4 GLU H H 4 8.440 8.440 8.165 0.275 18374 7608 1 27 . 1 1 5 5 GLY N N 5 110.051 110.051 108.544 1.507 18374 7609 1 27 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.593 0.815 18374 7610 1 27 . 1 1 5 5 GLY H H 5 8.500 8.500 8.323 0.177 18374 7611 1 27 . 1 1 6 6 GLN N N 6 119.509 119.509 119.840 -0.331 18374 7612 1 27 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.517 -0.231 18374 7613 1 27 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.556 0.444 18374 7614 1 27 . 1 1 6 6 GLN CB C 6 29.208 29.208 30.284 -1.076 18374 7615 1 27 . 1 1 6 6 GLN H H 6 8.242 8.242 8.955 -0.713 18374 7616 1 27 . 1 1 7 7 GLN N N 7 121.049 121.049 118.885 2.164 18374 7617 1 27 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.567 -0.306 18374 7618 1 27 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.090 1.014 18374 7619 1 27 . 1 1 7 7 GLN CB C 7 29.204 29.204 30.115 -0.911 18374 7620 1 27 . 1 1 7 7 GLN H H 7 8.534 8.534 7.704 0.830 18374 7621 1 27 . 1 1 8 8 ASN N N 8 119.289 119.289 118.063 1.226 18374 7622 1 27 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.744 -0.099 18374 7623 1 27 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.565 -0.458 18374 7624 1 27 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.717 -1.198 18374 7625 1 27 . 1 1 8 8 ASN H H 8 8.486 8.486 8.603 -0.117 18374 7626 1 27 . 1 1 9 9 LEU N N 9 122.204 122.204 122.134 0.070 18374 7627 1 27 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.555 -0.264 18374 7628 1 27 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.193 0.523 18374 7629 1 27 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.416 -1.019 18374 7630 1 27 . 1 1 9 9 LEU H H 9 8.145 8.145 7.842 0.303 18374 7631 1 27 . 1 1 10 10 ALA N N 10 126.188 126.188 124.475 1.713 18374 7632 1 27 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.710 -0.178 18374 7633 1 27 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.727 0.610 18374 7634 1 27 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.176 -1.383 18374 7635 1 27 . 1 1 10 10 ALA H H 10 8.324 8.324 8.353 -0.029 18374 7636 1 27 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.360 0.004 18374 7637 1 27 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.490 -0.582 18374 7638 1 27 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.056 -0.187 18374 7639 1 27 . 1 1 12 12 GLY N N 12 108.951 108.951 106.114 2.837 18374 7640 1 27 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.724 0.497 18374 7641 1 27 . 1 1 12 12 GLY H H 12 8.501 8.501 8.450 0.051 18374 7642 1 27 . 1 1 13 13 ALA N N 13 123.134 123.134 124.604 -1.470 18374 7643 1 27 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.626 -0.392 18374 7644 1 27 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.526 0.584 18374 7645 1 27 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.856 0.669 18374 7646 1 27 . 1 1 13 13 ALA H H 13 7.957 7.957 7.480 0.477 18374 7647 1 27 . 1 1 14 14 ARG N N 14 116.759 116.759 121.076 -4.317 18374 7648 1 27 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.572 -0.453 18374 7649 1 27 . 1 1 14 14 ARG CA C 14 53.810 53.810 53.437 0.373 18374 7650 1 27 . 1 1 14 14 ARG CB C 14 32.453 32.453 31.799 0.654 18374 7651 1 27 . 1 1 14 14 ARG H H 14 7.990 7.990 8.008 -0.018 18374 7652 1 27 . 1 1 15 15 CYS N N 15 123.688 123.688 121.715 1.973 18374 7653 1 27 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.520 -0.503 18374 7654 1 27 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.548 -0.438 18374 7655 1 27 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.332 4.725 18374 7656 1 27 . 1 1 15 15 CYS H H 15 7.646 7.646 8.341 -0.695 18374 7657 1 27 . 1 1 16 16 GLY N N 16 117.749 117.749 116.544 1.205 18374 7658 1 27 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.124 -0.339 18374 7659 1 27 . 1 1 16 16 GLY H H 16 8.916 8.916 9.018 -0.102 18374 7660 1 27 . 1 1 17 17 VAL N N 17 122.602 122.602 120.303 2.299 18374 7661 1 27 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.847 0.167 18374 7662 1 27 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.572 0.459 18374 7663 1 27 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.181 0.659 18374 7664 1 27 . 1 1 17 17 VAL H H 17 8.856 8.856 8.028 0.828 18374 7665 1 27 . 1 1 18 18 CYS N N 18 115.430 115.430 116.754 -1.324 18374 7666 1 27 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.739 0.187 18374 7667 1 27 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.491 -1.312 18374 7668 1 27 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.504 1.107 18374 7669 1 27 . 1 1 18 18 CYS H H 18 7.758 7.758 7.999 -0.241 18374 7670 1 27 . 1 1 19 19 GLY N N 19 113.040 113.040 109.154 3.886 18374 7671 1 27 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.301 1.056 18374 7672 1 27 . 1 1 19 19 GLY H H 19 8.029 8.029 8.609 -0.580 18374 7673 1 27 . 1 1 20 20 ASP N N 20 123.399 123.399 121.218 2.181 18374 7674 1 27 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.736 0.271 18374 7675 1 27 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.223 -0.709 18374 7676 1 27 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.307 2.235 18374 7677 1 27 . 1 1 20 20 ASP H H 20 8.722 8.722 7.798 0.924 18374 7678 1 27 . 1 1 21 21 GLY N N 21 111.371 111.371 107.902 3.469 18374 7679 1 27 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.079 0.028 18374 7680 1 27 . 1 1 21 21 GLY H H 21 8.667 8.667 8.446 0.221 18374 7681 1 27 . 1 1 22 22 THR N N 22 118.220 118.220 116.773 1.447 18374 7682 1 27 . 1 1 22 22 THR HA H 22 3.979 3.979 4.247 -0.268 18374 7683 1 27 . 1 1 22 22 THR CA C 22 64.367 64.367 63.619 0.748 18374 7684 1 27 . 1 1 22 22 THR CB C 22 67.783 67.783 69.112 -1.329 18374 7685 1 27 . 1 1 22 22 THR H H 22 8.784 8.784 7.578 1.206 18374 7686 1 27 . 1 1 23 23 ASP N N 23 127.251 127.251 124.744 2.507 18374 7687 1 27 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.325 -0.024 18374 7688 1 27 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.030 0.397 18374 7689 1 27 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.314 -1.275 18374 7690 1 27 . 1 1 23 23 ASP H H 23 9.376 9.376 8.949 0.427 18374 7691 1 27 . 1 1 24 24 VAL N N 24 111.371 111.371 112.690 -1.319 18374 7692 1 27 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.576 -1.016 18374 7693 1 27 . 1 1 24 24 VAL CA C 24 61.716 61.716 59.746 1.970 18374 7694 1 27 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.437 -1.145 18374 7695 1 27 . 1 1 24 24 VAL H H 24 7.402 7.402 7.858 -0.456 18374 7696 1 27 . 1 1 25 25 LEU N N 25 123.908 123.908 125.382 -1.474 18374 7697 1 27 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.357 -0.018 18374 7698 1 27 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.563 -2.041 18374 7699 1 27 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.629 -0.187 18374 7700 1 27 . 1 1 25 25 LEU H H 25 8.328 8.328 8.703 -0.375 18374 7701 1 27 . 1 1 26 26 ARG N N 26 116.626 116.626 120.179 -3.553 18374 7702 1 27 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.229 -0.128 18374 7703 1 27 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.510 -0.855 18374 7704 1 27 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.406 0.262 18374 7705 1 27 . 1 1 26 26 ARG H H 26 7.877 7.877 8.063 -0.186 18374 7706 1 27 . 1 1 27 27 CYS N N 27 126.328 126.328 122.736 3.592 18374 7707 1 27 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.898 -0.583 18374 7708 1 27 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.329 2.069 18374 7709 1 27 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.409 2.258 18374 7710 1 27 . 1 1 27 27 CYS H H 27 9.182 9.182 8.510 0.672 18374 7711 1 27 . 1 1 28 28 THR N N 28 122.470 122.470 121.166 1.304 18374 7712 1 27 . 1 1 28 28 THR HA H 28 4.166 4.166 4.391 -0.225 18374 7713 1 27 . 1 1 28 28 THR CA C 28 64.686 64.686 63.300 1.386 18374 7714 1 27 . 1 1 28 28 THR CB C 28 69.846 69.846 69.029 0.816 18374 7715 1 27 . 1 1 28 28 THR H H 28 8.956 8.956 9.038 -0.082 18374 7716 1 27 . 1 1 29 29 HIS N N 29 123.908 123.908 118.231 5.677 18374 7717 1 27 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.733 0.176 18374 7718 1 27 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.856 0.248 18374 7719 1 27 . 1 1 29 29 HIS CB C 29 30.545 30.545 32.411 -1.866 18374 7720 1 27 . 1 1 29 29 HIS H H 29 9.464 9.464 7.909 1.555 18374 7721 1 27 . 1 1 30 30 CYS N N 30 119.946 119.946 114.115 5.831 18374 7722 1 27 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.790 0.021 18374 7723 1 27 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.873 2.216 18374 7724 1 27 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.538 2.360 18374 7725 1 27 . 1 1 30 30 CYS H H 30 8.710 8.710 7.988 0.722 18374 7726 1 27 . 1 1 31 31 ALA N N 31 120.477 120.477 124.264 -3.787 18374 7727 1 27 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.484 -0.200 18374 7728 1 27 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.742 2.748 18374 7729 1 27 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.186 -1.768 18374 7730 1 27 . 1 1 31 31 ALA H H 31 7.626 7.626 8.265 -0.639 18374 7731 1 27 . 1 1 32 32 ALA N N 32 125.524 125.524 126.363 -0.839 18374 7732 1 27 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.668 -0.422 18374 7733 1 27 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.274 1.566 18374 7734 1 27 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.618 -1.284 18374 7735 1 27 . 1 1 32 32 ALA H H 32 9.152 9.152 8.272 0.880 18374 7736 1 27 . 1 1 33 33 ALA N N 33 123.257 123.257 123.530 -0.273 18374 7737 1 27 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.766 -0.356 18374 7738 1 27 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.794 -0.988 18374 7739 1 27 . 1 1 33 33 ALA CB C 33 19.628 19.628 21.259 -1.631 18374 7740 1 27 . 1 1 33 33 ALA H H 33 8.490 8.490 8.531 -0.041 18374 7741 1 27 . 1 1 34 34 PHE N N 34 118.220 118.220 119.116 -0.896 18374 7742 1 27 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.645 0.429 18374 7743 1 27 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.891 -1.129 18374 7744 1 27 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.603 -1.381 18374 7745 1 27 . 1 1 34 34 PHE H H 34 8.948 8.948 8.141 0.807 18374 7746 1 27 . 1 1 35 35 HIS N N 35 116.759 116.759 121.696 -4.937 18374 7747 1 27 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.854 0.032 18374 7748 1 27 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.847 1.291 18374 7749 1 27 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.861 1.162 18374 7750 1 27 . 1 1 35 35 HIS H H 35 7.932 7.932 8.129 -0.197 18374 7751 1 27 . 1 1 36 36 TRP N N 36 127.649 127.649 127.258 0.391 18374 7752 1 27 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.589 -0.151 18374 7753 1 27 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.095 0.278 18374 7754 1 27 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.770 -0.446 18374 7755 1 27 . 1 1 36 36 TRP H H 36 9.421 9.421 9.136 0.285 18374 7756 1 27 . 1 1 37 37 ARG N N 37 113.040 113.040 117.289 -4.249 18374 7757 1 27 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.417 -0.013 18374 7758 1 27 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.148 -1.675 18374 7759 1 27 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.842 -0.675 18374 7760 1 27 . 1 1 37 37 ARG H H 37 9.075 9.075 8.662 0.413 18374 7761 1 27 . 1 1 38 38 CYS N N 38 116.493 116.493 115.338 1.155 18374 7762 1 27 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.454 -0.236 18374 7763 1 27 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.692 1.767 18374 7764 1 27 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.338 3.338 18374 7765 1 27 . 1 1 38 38 CYS H H 38 7.169 7.169 8.006 -0.837 18374 7766 1 27 . 1 1 39 39 HIS N N 39 118.220 118.220 116.319 1.901 18374 7767 1 27 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.332 -0.109 18374 7768 1 27 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.755 1.721 18374 7769 1 27 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.561 3.779 18374 7770 1 27 . 1 1 39 39 HIS H H 39 7.562 7.562 7.704 -0.142 18374 7771 1 27 . 1 1 40 40 PHE N N 40 117.157 117.157 118.199 -1.042 18374 7772 1 27 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.786 -0.003 18374 7773 1 27 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.093 -2.434 18374 7774 1 27 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.426 -0.619 18374 7775 1 27 . 1 1 40 40 PHE H H 40 8.282 8.282 8.540 -0.258 18374 7776 1 27 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.596 -0.109 18374 7777 1 27 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.529 0.691 18374 7778 1 27 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.699 -0.484 18374 7779 1 27 . 1 1 42 42 ALA N N 42 123.001 123.001 121.539 1.462 18374 7780 1 27 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.253 0.105 18374 7781 1 27 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.067 -1.054 18374 7782 1 27 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.693 -0.052 18374 7783 1 27 . 1 1 42 42 ALA H H 42 8.635 8.635 8.479 0.156 18374 7784 1 27 . 1 1 43 43 GLY N N 43 108.291 108.291 105.729 2.562 18374 7785 1 27 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.297 0.169 18374 7786 1 27 . 1 1 43 43 GLY H H 43 8.529 8.529 8.189 0.340 18374 7787 1 27 . 1 1 44 44 THR N N 44 113.961 113.961 118.356 -4.395 18374 7788 1 27 . 1 1 44 44 THR HA H 44 4.424 4.424 4.580 -0.156 18374 7789 1 27 . 1 1 44 44 THR CA C 44 62.074 62.074 61.862 0.212 18374 7790 1 27 . 1 1 44 44 THR CB C 44 70.259 70.259 70.179 0.080 18374 7791 1 27 . 1 1 44 44 THR H H 44 7.971 7.971 7.897 0.074 18374 7792 1 27 . 1 1 45 45 SER N N 45 120.467 120.467 121.018 -0.551 18374 7793 1 27 . 1 1 45 45 SER HA H 45 4.280 4.280 4.562 -0.282 18374 7794 1 27 . 1 1 45 45 SER CA C 45 58.274 58.274 57.486 0.788 18374 7795 1 27 . 1 1 45 45 SER CB C 45 63.906 63.906 64.648 -0.742 18374 7796 1 27 . 1 1 45 45 SER H H 45 8.644 8.644 8.745 -0.101 18374 7797 1 27 . 1 1 46 46 ARG N N 46 124.196 124.196 124.815 -0.619 18374 7798 1 27 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.332 0.588 18374 7799 1 27 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.460 -0.308 18374 7800 1 27 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.288 -0.386 18374 7801 1 27 . 1 1 46 46 ARG H H 46 8.197 8.197 8.370 -0.173 18374 7802 1 27 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.416 -0.118 18374 7803 1 27 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.188 0.630 18374 7804 1 27 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.414 -0.228 18374 7805 1 27 . 1 1 48 48 GLY N N 48 108.071 108.071 109.048 -0.977 18374 7806 1 27 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.760 -0.081 18374 7807 1 27 . 1 1 48 48 GLY H H 48 8.492 8.492 8.553 -0.061 18374 7808 1 27 . 1 1 49 49 THR N N 49 111.151 111.151 110.564 0.587 18374 7809 1 27 . 1 1 49 49 THR HA H 49 4.377 4.377 4.415 -0.038 18374 7810 1 27 . 1 1 49 49 THR CA C 49 60.690 60.690 60.696 -0.006 18374 7811 1 27 . 1 1 49 49 THR CB C 49 70.332 70.332 70.510 -0.178 18374 7812 1 27 . 1 1 49 49 THR H H 49 7.669 7.669 7.373 0.296 18374 7813 1 27 . 1 1 50 50 GLY N N 50 110.491 110.491 110.550 -0.059 18374 7814 1 27 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.116 1.065 18374 7815 1 27 . 1 1 50 50 GLY H H 50 8.459 8.459 8.468 -0.009 18374 7816 1 27 . 1 1 51 51 LEU N N 51 121.407 121.407 120.102 1.305 18374 7817 1 27 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.216 0.066 18374 7818 1 27 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.343 1.025 18374 7819 1 27 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.882 0.937 18374 7820 1 27 . 1 1 51 51 LEU H H 51 8.248 8.248 8.123 0.125 18374 7821 1 27 . 1 1 52 52 ARG N N 52 124.997 124.997 125.234 -0.237 18374 7822 1 27 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.933 0.914 18374 7823 1 27 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.823 -0.692 18374 7824 1 27 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.628 1.357 18374 7825 1 27 . 1 1 52 52 ARG H H 52 8.639 8.639 8.331 0.308 18374 7826 1 27 . 1 1 53 53 CYS N N 53 120.743 120.743 120.318 0.425 18374 7827 1 27 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.727 -1.234 18374 7828 1 27 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.445 -0.241 18374 7829 1 27 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.525 1.254 18374 7830 1 27 . 1 1 53 53 CYS H H 53 8.933 8.933 8.665 0.268 18374 7831 1 27 . 1 1 54 54 ARG N N 54 121.407 121.407 120.672 0.735 18374 7832 1 27 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.928 -0.118 18374 7833 1 27 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.813 -0.426 18374 7834 1 27 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.638 -0.755 18374 7835 1 27 . 1 1 54 54 ARG H H 54 10.380 10.380 8.672 1.708 18374 7836 1 27 . 1 1 55 55 SER N N 55 117.300 117.300 114.004 3.296 18374 7837 1 27 . 1 1 55 55 SER HA H 55 4.258 4.258 4.279 -0.021 18374 7838 1 27 . 1 1 55 55 SER CA C 55 61.216 61.216 61.474 -0.258 18374 7839 1 27 . 1 1 55 55 SER CB C 55 62.830 62.830 63.170 -0.340 18374 7840 1 27 . 1 1 55 55 SER H H 55 8.228 8.228 7.817 0.411 18374 7841 1 27 . 1 1 56 56 CYS N N 56 122.602 122.602 119.686 2.916 18374 7842 1 27 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.457 -0.271 18374 7843 1 27 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.541 0.701 18374 7844 1 27 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.141 3.775 18374 7845 1 27 . 1 1 56 56 CYS H H 56 7.999 7.999 7.796 0.203 18374 7846 1 27 . 1 1 57 57 SER N N 57 115.430 115.430 113.468 1.962 18374 7847 1 27 . 1 1 57 57 SER HA H 57 4.266 4.266 4.601 -0.335 18374 7848 1 27 . 1 1 57 57 SER CA C 57 59.992 59.992 58.576 1.416 18374 7849 1 27 . 1 1 57 57 SER CB C 57 63.492 63.492 62.354 1.138 18374 7850 1 27 . 1 1 57 57 SER H H 57 7.938 7.938 7.967 -0.029 18374 7851 1 27 . 1 1 58 58 GLY N N 58 109.391 109.391 110.262 -0.871 18374 7852 1 27 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.203 0.223 18374 7853 1 27 . 1 1 58 58 GLY H H 58 8.013 8.013 7.557 0.456 18374 7854 1 27 . 1 1 59 59 ASP N N 59 120.345 120.345 121.474 -1.129 18374 7855 1 27 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.652 -0.061 18374 7856 1 27 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.578 -0.285 18374 7857 1 27 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.161 -0.078 18374 7858 1 27 . 1 1 59 59 ASP H H 59 8.130 8.130 8.495 -0.365 18374 7859 1 27 . 1 1 60 60 VAL N N 60 119.548 119.548 120.578 -1.030 18374 7860 1 27 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.270 -0.112 18374 7861 1 27 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.776 0.140 18374 7862 1 27 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.243 -0.728 18374 7863 1 27 . 1 1 60 60 VAL H H 60 8.072 8.072 7.245 0.827 18374 7864 1 27 . 1 1 61 61 THR N N 61 121.407 121.407 122.393 -0.986 18374 7865 1 27 . 1 1 61 61 THR HA H 61 4.509 4.509 4.704 -0.195 18374 7866 1 27 . 1 1 61 61 THR CA C 61 59.848 59.848 59.755 0.093 18374 7867 1 27 . 1 1 61 61 THR CB C 61 69.602 69.602 68.630 0.972 18374 7868 1 27 . 1 1 61 61 THR H H 61 8.335 8.335 8.400 -0.065 18374 7869 1 27 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.496 -0.134 18374 7870 1 27 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.603 0.300 18374 7871 1 27 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.244 -0.295 18374 7872 1 27 . 1 1 63 63 ALA N N 63 125.923 125.923 125.939 -0.016 18374 7873 1 27 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.668 -0.130 18374 7874 1 27 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.806 0.462 18374 7875 1 27 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.378 -1.678 18374 7876 1 27 . 1 1 63 63 ALA H H 63 8.368 8.368 8.210 0.158 18374 7877 1 27 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.433 -0.023 18374 7878 1 27 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.373 0.523 18374 7879 1 27 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.131 1.794 18374 7880 1 27 . 1 1 65 65 VAL N N 65 120.526 120.526 122.139 -1.613 18374 7881 1 27 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.172 -0.099 18374 7882 1 27 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.509 0.817 18374 7883 1 27 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.289 -1.209 18374 7884 1 27 . 1 1 65 65 VAL H H 65 8.270 8.270 8.147 0.123 18374 7885 1 28 . 1 1 2 2 ALA N N 2 123.688 123.688 124.972 -1.284 18374 7886 1 28 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.980 -0.682 18374 7887 1 28 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.667 -0.957 18374 7888 1 28 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.905 0.330 18374 7889 1 28 . 1 1 2 2 ALA H H 2 8.653 8.653 8.784 -0.131 18374 7890 1 28 . 1 1 3 3 MET N N 3 119.289 119.289 115.812 3.477 18374 7891 1 28 . 1 1 3 3 MET HA H 3 4.426 4.426 4.645 -0.219 18374 7892 1 28 . 1 1 3 3 MET CA C 3 55.430 55.430 54.956 0.474 18374 7893 1 28 . 1 1 3 3 MET CB C 3 32.532 32.532 34.069 -1.537 18374 7894 1 28 . 1 1 3 3 MET H H 3 8.545 8.545 7.519 1.026 18374 7895 1 28 . 1 1 4 4 GLU N N 4 122.149 122.149 119.483 2.666 18374 7896 1 28 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.164 0.080 18374 7897 1 28 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.812 1.219 18374 7898 1 28 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.355 0.651 18374 7899 1 28 . 1 1 4 4 GLU H H 4 8.440 8.440 8.615 -0.175 18374 7900 1 28 . 1 1 5 5 GLY N N 5 110.051 110.051 107.259 2.792 18374 7901 1 28 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.932 0.476 18374 7902 1 28 . 1 1 5 5 GLY H H 5 8.500 8.500 7.946 0.554 18374 7903 1 28 . 1 1 6 6 GLN N N 6 119.509 119.509 118.216 1.293 18374 7904 1 28 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.015 0.271 18374 7905 1 28 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.154 -0.154 18374 7906 1 28 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.749 1.459 18374 7907 1 28 . 1 1 6 6 GLN H H 6 8.242 8.242 8.563 -0.321 18374 7908 1 28 . 1 1 7 7 GLN N N 7 121.049 121.049 120.123 0.926 18374 7909 1 28 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.357 -0.096 18374 7910 1 28 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.377 0.727 18374 7911 1 28 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.660 0.544 18374 7912 1 28 . 1 1 7 7 GLN H H 7 8.534 8.534 8.298 0.236 18374 7913 1 28 . 1 1 8 8 ASN N N 8 119.289 119.289 126.133 -6.844 18374 7914 1 28 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.792 -0.147 18374 7915 1 28 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.674 -0.567 18374 7916 1 28 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.480 1.039 18374 7917 1 28 . 1 1 8 8 ASN H H 8 8.486 8.486 8.771 -0.285 18374 7918 1 28 . 1 1 9 9 LEU N N 9 122.204 122.204 121.187 1.017 18374 7919 1 28 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.620 -0.329 18374 7920 1 28 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.633 0.083 18374 7921 1 28 . 1 1 9 9 LEU CB C 9 42.397 42.397 44.769 -2.372 18374 7922 1 28 . 1 1 9 9 LEU H H 9 8.145 8.145 7.810 0.335 18374 7923 1 28 . 1 1 10 10 ALA N N 10 126.188 126.188 128.732 -2.544 18374 7924 1 28 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.761 -0.229 18374 7925 1 28 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.109 0.228 18374 7926 1 28 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.244 -1.452 18374 7927 1 28 . 1 1 10 10 ALA H H 10 8.324 8.324 8.513 -0.189 18374 7928 1 28 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.353 0.011 18374 7929 1 28 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.025 -0.117 18374 7930 1 28 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.931 0.938 18374 7931 1 28 . 1 1 12 12 GLY N N 12 108.951 108.951 113.119 -4.168 18374 7932 1 28 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.762 0.459 18374 7933 1 28 . 1 1 12 12 GLY H H 12 8.501 8.501 8.593 -0.092 18374 7934 1 28 . 1 1 13 13 ALA N N 13 123.134 123.134 124.947 -1.813 18374 7935 1 28 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.402 -0.168 18374 7936 1 28 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.021 0.088 18374 7937 1 28 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.645 1.879 18374 7938 1 28 . 1 1 13 13 ALA H H 13 7.957 7.957 7.759 0.198 18374 7939 1 28 . 1 1 14 14 ARG N N 14 116.759 116.759 118.103 -1.344 18374 7940 1 28 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.492 -0.373 18374 7941 1 28 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.479 -0.669 18374 7942 1 28 . 1 1 14 14 ARG CB C 14 32.453 32.453 31.874 0.579 18374 7943 1 28 . 1 1 14 14 ARG H H 14 7.990 7.990 7.801 0.189 18374 7944 1 28 . 1 1 15 15 CYS N N 15 123.688 123.688 122.772 0.916 18374 7945 1 28 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.469 -0.452 18374 7946 1 28 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.876 -0.766 18374 7947 1 28 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.608 4.449 18374 7948 1 28 . 1 1 15 15 CYS H H 15 7.646 7.646 8.483 -0.837 18374 7949 1 28 . 1 1 16 16 GLY N N 16 117.749 117.749 115.695 2.054 18374 7950 1 28 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.942 -0.157 18374 7951 1 28 . 1 1 16 16 GLY H H 16 8.916 8.916 8.814 0.102 18374 7952 1 28 . 1 1 17 17 VAL N N 17 122.602 122.602 119.433 3.169 18374 7953 1 28 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.894 0.120 18374 7954 1 28 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.754 0.277 18374 7955 1 28 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.686 1.154 18374 7956 1 28 . 1 1 17 17 VAL H H 17 8.856 8.856 7.798 1.058 18374 7957 1 28 . 1 1 18 18 CYS N N 18 115.430 115.430 117.618 -2.188 18374 7958 1 28 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.715 0.211 18374 7959 1 28 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.342 -1.163 18374 7960 1 28 . 1 1 18 18 CYS CB C 18 31.611 31.611 28.611 3.000 18374 7961 1 28 . 1 1 18 18 CYS H H 18 7.758 7.758 7.845 -0.087 18374 7962 1 28 . 1 1 19 19 GLY N N 19 113.040 113.040 110.154 2.886 18374 7963 1 28 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.727 0.630 18374 7964 1 28 . 1 1 19 19 GLY H H 19 8.029 8.029 8.442 -0.413 18374 7965 1 28 . 1 1 20 20 ASP N N 20 123.399 123.399 118.180 5.219 18374 7966 1 28 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.818 0.189 18374 7967 1 28 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.927 0.587 18374 7968 1 28 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.258 0.284 18374 7969 1 28 . 1 1 20 20 ASP H H 20 8.722 8.722 7.589 1.133 18374 7970 1 28 . 1 1 21 21 GLY N N 21 111.371 111.371 109.831 1.540 18374 7971 1 28 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.365 0.742 18374 7972 1 28 . 1 1 21 21 GLY H H 21 8.667 8.667 8.548 0.119 18374 7973 1 28 . 1 1 22 22 THR N N 22 118.220 118.220 118.231 -0.011 18374 7974 1 28 . 1 1 22 22 THR HA H 22 3.979 3.979 4.299 -0.320 18374 7975 1 28 . 1 1 22 22 THR CA C 22 64.367 64.367 63.768 0.599 18374 7976 1 28 . 1 1 22 22 THR CB C 22 67.783 67.783 69.426 -1.643 18374 7977 1 28 . 1 1 22 22 THR H H 22 8.784 8.784 8.393 0.391 18374 7978 1 28 . 1 1 23 23 ASP N N 23 127.251 127.251 124.157 3.094 18374 7979 1 28 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.244 0.057 18374 7980 1 28 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.153 0.274 18374 7981 1 28 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.547 -1.508 18374 7982 1 28 . 1 1 23 23 ASP H H 23 9.376 9.376 8.805 0.571 18374 7983 1 28 . 1 1 24 24 VAL N N 24 111.371 111.371 117.946 -6.575 18374 7984 1 28 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.410 -0.850 18374 7985 1 28 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.720 0.996 18374 7986 1 28 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.813 -1.521 18374 7987 1 28 . 1 1 24 24 VAL H H 24 7.402 7.402 8.083 -0.681 18374 7988 1 28 . 1 1 25 25 LEU N N 25 123.908 123.908 127.456 -3.548 18374 7989 1 28 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.438 -0.099 18374 7990 1 28 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.131 -1.609 18374 7991 1 28 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.795 -0.353 18374 7992 1 28 . 1 1 25 25 LEU H H 25 8.328 8.328 8.747 -0.419 18374 7993 1 28 . 1 1 26 26 ARG N N 26 116.626 116.626 119.095 -2.469 18374 7994 1 28 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.306 -0.205 18374 7995 1 28 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.289 -0.635 18374 7996 1 28 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.094 -0.426 18374 7997 1 28 . 1 1 26 26 ARG H H 26 7.877 7.877 8.020 -0.143 18374 7998 1 28 . 1 1 27 27 CYS N N 27 126.328 126.328 122.099 4.229 18374 7999 1 28 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.786 -0.471 18374 8000 1 28 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.660 1.738 18374 8001 1 28 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.743 1.924 18374 8002 1 28 . 1 1 27 27 CYS H H 27 9.182 9.182 8.597 0.585 18374 8003 1 28 . 1 1 28 28 THR N N 28 122.470 122.470 121.518 0.952 18374 8004 1 28 . 1 1 28 28 THR HA H 28 4.166 4.166 4.324 -0.158 18374 8005 1 28 . 1 1 28 28 THR CA C 28 64.686 64.686 64.562 0.124 18374 8006 1 28 . 1 1 28 28 THR CB C 28 69.846 69.846 69.096 0.750 18374 8007 1 28 . 1 1 28 28 THR H H 28 8.956 8.956 9.091 -0.135 18374 8008 1 28 . 1 1 29 29 HIS N N 29 123.908 123.908 119.171 4.737 18374 8009 1 28 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.648 0.261 18374 8010 1 28 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.025 1.079 18374 8011 1 28 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.358 -0.813 18374 8012 1 28 . 1 1 29 29 HIS H H 29 9.464 9.464 8.341 1.123 18374 8013 1 28 . 1 1 30 30 CYS N N 30 119.946 119.946 115.232 4.714 18374 8014 1 28 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.758 0.053 18374 8015 1 28 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.592 2.498 18374 8016 1 28 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.730 2.168 18374 8017 1 28 . 1 1 30 30 CYS H H 30 8.710 8.710 7.764 0.946 18374 8018 1 28 . 1 1 31 31 ALA N N 31 120.477 120.477 124.807 -4.330 18374 8019 1 28 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.462 -0.178 18374 8020 1 28 . 1 1 31 31 ALA CA C 31 54.490 54.490 52.124 2.366 18374 8021 1 28 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.056 -1.638 18374 8022 1 28 . 1 1 31 31 ALA H H 31 7.626 7.626 8.319 -0.693 18374 8023 1 28 . 1 1 32 32 ALA N N 32 125.524 125.524 124.731 0.793 18374 8024 1 28 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.547 -0.301 18374 8025 1 28 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.624 1.216 18374 8026 1 28 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.654 -1.320 18374 8027 1 28 . 1 1 32 32 ALA H H 32 9.152 9.152 8.332 0.820 18374 8028 1 28 . 1 1 33 33 ALA N N 33 123.257 123.257 124.411 -1.154 18374 8029 1 28 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.763 -0.353 18374 8030 1 28 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.767 -0.961 18374 8031 1 28 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.736 -1.108 18374 8032 1 28 . 1 1 33 33 ALA H H 33 8.490 8.490 8.656 -0.166 18374 8033 1 28 . 1 1 34 34 PHE N N 34 118.220 118.220 120.175 -1.955 18374 8034 1 28 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.751 0.323 18374 8035 1 28 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.491 -0.729 18374 8036 1 28 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.869 -1.647 18374 8037 1 28 . 1 1 34 34 PHE H H 34 8.948 8.948 8.434 0.514 18374 8038 1 28 . 1 1 35 35 HIS N N 35 116.759 116.759 120.723 -3.964 18374 8039 1 28 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.915 -0.029 18374 8040 1 28 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.529 1.609 18374 8041 1 28 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.620 0.403 18374 8042 1 28 . 1 1 35 35 HIS H H 35 7.932 7.932 8.289 -0.357 18374 8043 1 28 . 1 1 36 36 TRP N N 36 127.649 127.649 126.835 0.814 18374 8044 1 28 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.584 -0.146 18374 8045 1 28 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.131 0.242 18374 8046 1 28 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.809 -0.485 18374 8047 1 28 . 1 1 36 36 TRP H H 36 9.421 9.421 9.155 0.266 18374 8048 1 28 . 1 1 37 37 ARG N N 37 113.040 113.040 116.054 -3.014 18374 8049 1 28 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.458 -0.054 18374 8050 1 28 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.448 -0.975 18374 8051 1 28 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.804 -0.637 18374 8052 1 28 . 1 1 37 37 ARG H H 37 9.075 9.075 8.678 0.397 18374 8053 1 28 . 1 1 38 38 CYS N N 38 116.493 116.493 115.798 0.695 18374 8054 1 28 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.485 -0.267 18374 8055 1 28 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.398 2.061 18374 8056 1 28 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.858 2.818 18374 8057 1 28 . 1 1 38 38 CYS H H 38 7.169 7.169 8.042 -0.873 18374 8058 1 28 . 1 1 39 39 HIS N N 39 118.220 118.220 116.976 1.244 18374 8059 1 28 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.302 -0.079 18374 8060 1 28 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.242 1.234 18374 8061 1 28 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.085 4.255 18374 8062 1 28 . 1 1 39 39 HIS H H 39 7.562 7.562 7.589 -0.027 18374 8063 1 28 . 1 1 40 40 PHE N N 40 117.157 117.157 117.505 -0.348 18374 8064 1 28 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.822 -0.039 18374 8065 1 28 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.169 -2.510 18374 8066 1 28 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.731 0.076 18374 8067 1 28 . 1 1 40 40 PHE H H 40 8.282 8.282 8.454 -0.172 18374 8068 1 28 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.552 -0.065 18374 8069 1 28 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.860 0.359 18374 8070 1 28 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.912 0.303 18374 8071 1 28 . 1 1 42 42 ALA N N 42 123.001 123.001 121.746 1.255 18374 8072 1 28 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.413 -0.055 18374 8073 1 28 . 1 1 42 42 ALA CA C 42 53.013 53.013 52.465 0.548 18374 8074 1 28 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.913 -0.272 18374 8075 1 28 . 1 1 42 42 ALA H H 42 8.635 8.635 8.134 0.501 18374 8076 1 28 . 1 1 43 43 GLY N N 43 108.291 108.291 107.706 0.585 18374 8077 1 28 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.705 0.762 18374 8078 1 28 . 1 1 43 43 GLY H H 43 8.529 8.529 8.281 0.248 18374 8079 1 28 . 1 1 44 44 THR N N 44 113.961 113.961 116.843 -2.882 18374 8080 1 28 . 1 1 44 44 THR HA H 44 4.424 4.424 4.626 -0.202 18374 8081 1 28 . 1 1 44 44 THR CA C 44 62.074 62.074 62.070 0.004 18374 8082 1 28 . 1 1 44 44 THR CB C 44 70.259 70.259 70.015 0.244 18374 8083 1 28 . 1 1 44 44 THR H H 44 7.971 7.971 8.120 -0.149 18374 8084 1 28 . 1 1 45 45 SER N N 45 120.467 120.467 120.679 -0.212 18374 8085 1 28 . 1 1 45 45 SER HA H 45 4.280 4.280 4.544 -0.264 18374 8086 1 28 . 1 1 45 45 SER CA C 45 58.274 58.274 57.659 0.615 18374 8087 1 28 . 1 1 45 45 SER CB C 45 63.906 63.906 63.758 0.148 18374 8088 1 28 . 1 1 45 45 SER H H 45 8.644 8.644 8.650 -0.007 18374 8089 1 28 . 1 1 46 46 ARG N N 46 124.196 124.196 126.705 -2.509 18374 8090 1 28 . 1 1 46 46 ARG HA H 46 3.920 3.920 2.861 1.059 18374 8091 1 28 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.741 -0.589 18374 8092 1 28 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.561 0.341 18374 8093 1 28 . 1 1 46 46 ARG H H 46 8.197 8.197 8.256 -0.059 18374 8094 1 28 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.376 -0.078 18374 8095 1 28 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.422 0.396 18374 8096 1 28 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.373 -0.187 18374 8097 1 28 . 1 1 48 48 GLY N N 48 108.071 108.071 108.578 -0.507 18374 8098 1 28 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.499 0.180 18374 8099 1 28 . 1 1 48 48 GLY H H 48 8.492 8.492 8.545 -0.053 18374 8100 1 28 . 1 1 49 49 THR N N 49 111.151 111.151 113.771 -2.620 18374 8101 1 28 . 1 1 49 49 THR HA H 49 4.377 4.377 4.386 -0.009 18374 8102 1 28 . 1 1 49 49 THR CA C 49 60.690 60.690 62.653 -1.963 18374 8103 1 28 . 1 1 49 49 THR CB C 49 70.332 70.332 69.520 0.812 18374 8104 1 28 . 1 1 49 49 THR H H 49 7.669 7.669 7.697 -0.028 18374 8105 1 28 . 1 1 50 50 GLY N N 50 110.491 110.491 112.044 -1.553 18374 8106 1 28 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.297 1.884 18374 8107 1 28 . 1 1 50 50 GLY H H 50 8.459 8.459 8.154 0.305 18374 8108 1 28 . 1 1 51 51 LEU N N 51 121.407 121.407 123.252 -1.845 18374 8109 1 28 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.499 -0.217 18374 8110 1 28 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.098 1.270 18374 8111 1 28 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.576 0.243 18374 8112 1 28 . 1 1 51 51 LEU H H 51 8.248 8.248 7.865 0.383 18374 8113 1 28 . 1 1 52 52 ARG N N 52 124.997 124.997 126.098 -1.101 18374 8114 1 28 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.782 1.065 18374 8115 1 28 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.051 -0.920 18374 8116 1 28 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.095 1.890 18374 8117 1 28 . 1 1 52 52 ARG H H 52 8.639 8.639 8.506 0.133 18374 8118 1 28 . 1 1 53 53 CYS N N 53 120.743 120.743 120.585 0.158 18374 8119 1 28 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.568 -1.075 18374 8120 1 28 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.225 -0.021 18374 8121 1 28 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.313 1.466 18374 8122 1 28 . 1 1 53 53 CYS H H 53 8.933 8.933 8.548 0.385 18374 8123 1 28 . 1 1 54 54 ARG N N 54 121.407 121.407 120.237 1.170 18374 8124 1 28 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.961 -0.151 18374 8125 1 28 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.150 -0.763 18374 8126 1 28 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.189 -1.306 18374 8127 1 28 . 1 1 54 54 ARG H H 54 10.380 10.380 8.682 1.698 18374 8128 1 28 . 1 1 55 55 SER N N 55 117.300 117.300 114.631 2.669 18374 8129 1 28 . 1 1 55 55 SER HA H 55 4.258 4.258 4.263 -0.005 18374 8130 1 28 . 1 1 55 55 SER CA C 55 61.216 61.216 61.253 -0.037 18374 8131 1 28 . 1 1 55 55 SER CB C 55 62.830 62.830 62.468 0.362 18374 8132 1 28 . 1 1 55 55 SER H H 55 8.228 8.228 8.047 0.181 18374 8133 1 28 . 1 1 56 56 CYS N N 56 122.602 122.602 118.417 4.185 18374 8134 1 28 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.565 -0.379 18374 8135 1 28 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.375 0.867 18374 8136 1 28 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.321 3.595 18374 8137 1 28 . 1 1 56 56 CYS H H 56 7.999 7.999 7.685 0.314 18374 8138 1 28 . 1 1 57 57 SER N N 57 115.430 115.430 115.160 0.270 18374 8139 1 28 . 1 1 57 57 SER HA H 57 4.266 4.266 4.494 -0.228 18374 8140 1 28 . 1 1 57 57 SER CA C 57 59.992 59.992 60.526 -0.534 18374 8141 1 28 . 1 1 57 57 SER CB C 57 63.492 63.492 63.028 0.464 18374 8142 1 28 . 1 1 57 57 SER H H 57 7.938 7.938 7.748 0.190 18374 8143 1 28 . 1 1 58 58 GLY N N 58 109.391 109.391 109.658 -0.267 18374 8144 1 28 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.337 0.089 18374 8145 1 28 . 1 1 58 58 GLY H H 58 8.013 8.013 7.798 0.215 18374 8146 1 28 . 1 1 59 59 ASP N N 59 120.345 120.345 122.817 -2.472 18374 8147 1 28 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.732 -0.141 18374 8148 1 28 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.013 0.279 18374 8149 1 28 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.620 -0.537 18374 8150 1 28 . 1 1 59 59 ASP H H 59 8.130 8.130 8.500 -0.370 18374 8151 1 28 . 1 1 60 60 VAL N N 60 119.548 119.548 120.760 -1.212 18374 8152 1 28 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.285 -0.127 18374 8153 1 28 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.231 -0.316 18374 8154 1 28 . 1 1 60 60 VAL CB C 60 32.515 32.515 34.688 -2.173 18374 8155 1 28 . 1 1 60 60 VAL H H 60 8.072 8.072 8.338 -0.266 18374 8156 1 28 . 1 1 61 61 THR N N 61 121.407 121.407 123.691 -2.284 18374 8157 1 28 . 1 1 61 61 THR HA H 61 4.509 4.509 4.662 -0.153 18374 8158 1 28 . 1 1 61 61 THR CA C 61 59.848 59.848 61.220 -1.372 18374 8159 1 28 . 1 1 61 61 THR CB C 61 69.602 69.602 68.703 0.899 18374 8160 1 28 . 1 1 61 61 THR H H 61 8.335 8.335 8.220 0.115 18374 8161 1 28 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.623 -0.261 18374 8162 1 28 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.383 0.520 18374 8163 1 28 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.858 -0.908 18374 8164 1 28 . 1 1 63 63 ALA N N 63 125.923 125.923 125.050 0.873 18374 8165 1 28 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.507 0.031 18374 8166 1 28 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.376 -0.107 18374 8167 1 28 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.855 -1.155 18374 8168 1 28 . 1 1 63 63 ALA H H 63 8.368 8.368 8.287 0.081 18374 8169 1 28 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.416 -0.006 18374 8170 1 28 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.097 -0.200 18374 8171 1 28 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.730 0.195 18374 8172 1 28 . 1 1 65 65 VAL N N 65 120.526 120.526 122.437 -1.911 18374 8173 1 28 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.392 -0.319 18374 8174 1 28 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.417 0.909 18374 8175 1 28 . 1 1 65 65 VAL CB C 65 32.080 32.080 34.459 -2.379 18374 8176 1 28 . 1 1 65 65 VAL H H 65 8.270 8.270 8.223 0.047 18374 8177 1 29 . 1 1 2 2 ALA N N 2 123.688 123.688 123.061 0.627 18374 8178 1 29 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.036 0.262 18374 8179 1 29 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.921 -0.211 18374 8180 1 29 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.209 1.026 18374 8181 1 29 . 1 1 2 2 ALA H H 2 8.653 8.653 8.036 0.617 18374 8182 1 29 . 1 1 3 3 MET N N 3 119.289 119.289 115.539 3.750 18374 8183 1 29 . 1 1 3 3 MET HA H 3 4.426 4.426 4.751 -0.325 18374 8184 1 29 . 1 1 3 3 MET CA C 3 55.430 55.430 54.801 0.629 18374 8185 1 29 . 1 1 3 3 MET CB C 3 32.532 32.532 34.174 -1.642 18374 8186 1 29 . 1 1 3 3 MET H H 3 8.545 8.545 7.741 0.804 18374 8187 1 29 . 1 1 4 4 GLU N N 4 122.149 122.149 123.612 -1.463 18374 8188 1 29 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.390 -0.146 18374 8189 1 29 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.087 -0.056 18374 8190 1 29 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.139 -0.133 18374 8191 1 29 . 1 1 4 4 GLU H H 4 8.440 8.440 8.815 -0.375 18374 8192 1 29 . 1 1 5 5 GLY N N 5 110.051 110.051 109.421 0.630 18374 8193 1 29 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.846 0.562 18374 8194 1 29 . 1 1 5 5 GLY H H 5 8.500 8.500 7.952 0.548 18374 8195 1 29 . 1 1 6 6 GLN N N 6 119.509 119.509 121.264 -1.755 18374 8196 1 29 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.546 -0.260 18374 8197 1 29 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.224 0.776 18374 8198 1 29 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.946 1.262 18374 8199 1 29 . 1 1 6 6 GLN H H 6 8.242 8.242 8.542 -0.300 18374 8200 1 29 . 1 1 7 7 GLN N N 7 121.049 121.049 120.330 0.719 18374 8201 1 29 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.555 -0.294 18374 8202 1 29 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.888 1.216 18374 8203 1 29 . 1 1 7 7 GLN CB C 7 29.204 29.204 30.211 -1.007 18374 8204 1 29 . 1 1 7 7 GLN H H 7 8.534 8.534 8.206 0.328 18374 8205 1 29 . 1 1 8 8 ASN N N 8 119.289 119.289 120.187 -0.898 18374 8206 1 29 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.682 -0.037 18374 8207 1 29 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.263 -0.156 18374 8208 1 29 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.611 -0.092 18374 8209 1 29 . 1 1 8 8 ASN H H 8 8.486 8.486 8.413 0.073 18374 8210 1 29 . 1 1 9 9 LEU N N 9 122.204 122.204 125.871 -3.667 18374 8211 1 29 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.450 -0.159 18374 8212 1 29 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.360 0.356 18374 8213 1 29 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.377 2.020 18374 8214 1 29 . 1 1 9 9 LEU H H 9 8.145 8.145 8.634 -0.489 18374 8215 1 29 . 1 1 10 10 ALA N N 10 126.188 126.188 127.794 -1.606 18374 8216 1 29 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.466 0.066 18374 8217 1 29 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.477 -0.140 18374 8218 1 29 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.902 -1.109 18374 8219 1 29 . 1 1 10 10 ALA H H 10 8.324 8.324 7.931 0.393 18374 8220 1 29 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.309 0.055 18374 8221 1 29 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.314 -0.406 18374 8222 1 29 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.169 -0.300 18374 8223 1 29 . 1 1 12 12 GLY N N 12 108.951 108.951 106.931 2.020 18374 8224 1 29 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.196 0.025 18374 8225 1 29 . 1 1 12 12 GLY H H 12 8.501 8.501 8.328 0.173 18374 8226 1 29 . 1 1 13 13 ALA N N 13 123.134 123.134 126.857 -3.723 18374 8227 1 29 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.352 -0.118 18374 8228 1 29 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.464 -0.355 18374 8229 1 29 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.899 0.625 18374 8230 1 29 . 1 1 13 13 ALA H H 13 7.957 7.957 8.030 -0.073 18374 8231 1 29 . 1 1 14 14 ARG N N 14 116.759 116.759 124.100 -7.341 18374 8232 1 29 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.437 -0.318 18374 8233 1 29 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.303 -1.493 18374 8234 1 29 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.853 -1.400 18374 8235 1 29 . 1 1 14 14 ARG H H 14 7.990 7.990 8.282 -0.292 18374 8236 1 29 . 1 1 15 15 CYS N N 15 123.688 123.688 124.655 -0.967 18374 8237 1 29 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.652 -0.635 18374 8238 1 29 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.930 0.180 18374 8239 1 29 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.318 4.739 18374 8240 1 29 . 1 1 15 15 CYS H H 15 7.646 7.646 8.857 -1.211 18374 8241 1 29 . 1 1 16 16 GLY N N 16 117.749 117.749 116.108 1.641 18374 8242 1 29 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.404 0.381 18374 8243 1 29 . 1 1 16 16 GLY H H 16 8.916 8.916 8.918 -0.002 18374 8244 1 29 . 1 1 17 17 VAL N N 17 122.602 122.602 119.873 2.729 18374 8245 1 29 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.939 0.075 18374 8246 1 29 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.348 0.683 18374 8247 1 29 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.030 0.810 18374 8248 1 29 . 1 1 17 17 VAL H H 17 8.856 8.856 8.030 0.826 18374 8249 1 29 . 1 1 18 18 CYS N N 18 115.430 115.430 113.029 2.401 18374 8250 1 29 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.836 0.090 18374 8251 1 29 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.815 -0.636 18374 8252 1 29 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.293 1.318 18374 8253 1 29 . 1 1 18 18 CYS H H 18 7.758 7.758 7.686 0.072 18374 8254 1 29 . 1 1 19 19 GLY N N 19 113.040 113.040 111.612 1.428 18374 8255 1 29 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.920 1.437 18374 8256 1 29 . 1 1 19 19 GLY H H 19 8.029 8.029 8.608 -0.579 18374 8257 1 29 . 1 1 20 20 ASP N N 20 123.399 123.399 120.375 3.024 18374 8258 1 29 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.900 0.107 18374 8259 1 29 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.785 0.729 18374 8260 1 29 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.324 1.218 18374 8261 1 29 . 1 1 20 20 ASP H H 20 8.722 8.722 7.679 1.043 18374 8262 1 29 . 1 1 21 21 GLY N N 21 111.371 111.371 110.052 1.319 18374 8263 1 29 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.541 0.566 18374 8264 1 29 . 1 1 21 21 GLY H H 21 8.667 8.667 8.499 0.168 18374 8265 1 29 . 1 1 22 22 THR N N 22 118.220 118.220 118.109 0.111 18374 8266 1 29 . 1 1 22 22 THR HA H 22 3.979 3.979 4.314 -0.335 18374 8267 1 29 . 1 1 22 22 THR CA C 22 64.367 64.367 63.837 0.530 18374 8268 1 29 . 1 1 22 22 THR CB C 22 67.783 67.783 69.447 -1.664 18374 8269 1 29 . 1 1 22 22 THR H H 22 8.784 8.784 8.396 0.388 18374 8270 1 29 . 1 1 23 23 ASP N N 23 127.251 127.251 122.124 5.127 18374 8271 1 29 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.369 -0.068 18374 8272 1 29 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.496 -0.070 18374 8273 1 29 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.114 -1.075 18374 8274 1 29 . 1 1 23 23 ASP H H 23 9.376 9.376 8.717 0.659 18374 8275 1 29 . 1 1 24 24 VAL N N 24 111.371 111.371 117.676 -6.305 18374 8276 1 29 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.392 -0.832 18374 8277 1 29 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.678 1.038 18374 8278 1 29 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.318 -1.026 18374 8279 1 29 . 1 1 24 24 VAL H H 24 7.402 7.402 8.145 -0.743 18374 8280 1 29 . 1 1 25 25 LEU N N 25 123.908 123.908 128.004 -4.096 18374 8281 1 29 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.371 -0.032 18374 8282 1 29 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.251 -1.729 18374 8283 1 29 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.442 -0.000 18374 8284 1 29 . 1 1 25 25 LEU H H 25 8.328 8.328 8.645 -0.317 18374 8285 1 29 . 1 1 26 26 ARG N N 26 116.626 116.626 120.253 -3.627 18374 8286 1 29 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.303 -0.202 18374 8287 1 29 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.505 -0.850 18374 8288 1 29 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.527 0.141 18374 8289 1 29 . 1 1 26 26 ARG H H 26 7.877 7.877 8.075 -0.198 18374 8290 1 29 . 1 1 27 27 CYS N N 27 126.328 126.328 123.417 2.911 18374 8291 1 29 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.013 -0.698 18374 8292 1 29 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.150 1.248 18374 8293 1 29 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.437 2.230 18374 8294 1 29 . 1 1 27 27 CYS H H 27 9.182 9.182 8.536 0.646 18374 8295 1 29 . 1 1 28 28 THR N N 28 122.470 122.470 121.729 0.741 18374 8296 1 29 . 1 1 28 28 THR HA H 28 4.166 4.166 4.458 -0.292 18374 8297 1 29 . 1 1 28 28 THR CA C 28 64.686 64.686 64.009 0.677 18374 8298 1 29 . 1 1 28 28 THR CB C 28 69.846 69.846 69.150 0.696 18374 8299 1 29 . 1 1 28 28 THR H H 28 8.956 8.956 9.140 -0.184 18374 8300 1 29 . 1 1 29 29 HIS N N 29 123.908 123.908 119.334 4.574 18374 8301 1 29 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.722 0.187 18374 8302 1 29 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.488 1.616 18374 8303 1 29 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.016 -0.471 18374 8304 1 29 . 1 1 29 29 HIS H H 29 9.464 9.464 8.701 0.763 18374 8305 1 29 . 1 1 30 30 CYS N N 30 119.946 119.946 115.209 4.737 18374 8306 1 29 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.778 0.033 18374 8307 1 29 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.822 2.268 18374 8308 1 29 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.477 2.421 18374 8309 1 29 . 1 1 30 30 CYS H H 30 8.710 8.710 7.491 1.219 18374 8310 1 29 . 1 1 31 31 ALA N N 31 120.477 120.477 124.578 -4.101 18374 8311 1 29 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.444 -0.160 18374 8312 1 29 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.721 2.768 18374 8313 1 29 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.202 -1.784 18374 8314 1 29 . 1 1 31 31 ALA H H 31 7.626 7.626 8.344 -0.718 18374 8315 1 29 . 1 1 32 32 ALA N N 32 125.524 125.524 125.917 -0.393 18374 8316 1 29 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.606 -0.360 18374 8317 1 29 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.231 1.609 18374 8318 1 29 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.650 -1.316 18374 8319 1 29 . 1 1 32 32 ALA H H 32 9.152 9.152 8.210 0.942 18374 8320 1 29 . 1 1 33 33 ALA N N 33 123.257 123.257 125.329 -2.072 18374 8321 1 29 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.591 -0.181 18374 8322 1 29 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.363 -0.557 18374 8323 1 29 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.157 -0.529 18374 8324 1 29 . 1 1 33 33 ALA H H 33 8.490 8.490 8.447 0.043 18374 8325 1 29 . 1 1 34 34 PHE N N 34 118.220 118.220 119.915 -1.695 18374 8326 1 29 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.824 0.250 18374 8327 1 29 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.096 -0.334 18374 8328 1 29 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.035 -1.813 18374 8329 1 29 . 1 1 34 34 PHE H H 34 8.948 8.948 8.723 0.225 18374 8330 1 29 . 1 1 35 35 HIS N N 35 116.759 116.759 120.653 -3.894 18374 8331 1 29 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.883 0.003 18374 8332 1 29 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.392 1.746 18374 8333 1 29 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.193 -0.170 18374 8334 1 29 . 1 1 35 35 HIS H H 35 7.932 7.932 8.084 -0.152 18374 8335 1 29 . 1 1 36 36 TRP N N 36 127.649 127.649 127.486 0.163 18374 8336 1 29 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.570 -0.132 18374 8337 1 29 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.487 -0.114 18374 8338 1 29 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.964 -0.640 18374 8339 1 29 . 1 1 36 36 TRP H H 36 9.421 9.421 9.097 0.324 18374 8340 1 29 . 1 1 37 37 ARG N N 37 113.040 113.040 116.853 -3.813 18374 8341 1 29 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.391 0.013 18374 8342 1 29 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.864 -1.391 18374 8343 1 29 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.685 -0.518 18374 8344 1 29 . 1 1 37 37 ARG H H 37 9.075 9.075 8.482 0.593 18374 8345 1 29 . 1 1 38 38 CYS N N 38 116.493 116.493 114.969 1.524 18374 8346 1 29 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.435 -0.217 18374 8347 1 29 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.669 1.790 18374 8348 1 29 . 1 1 38 38 CYS CB C 38 29.676 29.676 25.983 3.693 18374 8349 1 29 . 1 1 38 38 CYS H H 38 7.169 7.169 8.405 -1.236 18374 8350 1 29 . 1 1 39 39 HIS N N 39 118.220 118.220 116.030 2.190 18374 8351 1 29 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.315 -0.092 18374 8352 1 29 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.952 1.524 18374 8353 1 29 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.047 4.293 18374 8354 1 29 . 1 1 39 39 HIS H H 39 7.562 7.562 7.570 -0.008 18374 8355 1 29 . 1 1 40 40 PHE N N 40 117.157 117.157 118.008 -0.851 18374 8356 1 29 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.777 0.006 18374 8357 1 29 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.087 -2.428 18374 8358 1 29 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.913 -0.106 18374 8359 1 29 . 1 1 40 40 PHE H H 40 8.282 8.282 8.241 0.041 18374 8360 1 29 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.470 0.017 18374 8361 1 29 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.978 0.241 18374 8362 1 29 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.210 0.005 18374 8363 1 29 . 1 1 42 42 ALA N N 42 123.001 123.001 124.167 -1.166 18374 8364 1 29 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.207 0.151 18374 8365 1 29 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.110 -1.097 18374 8366 1 29 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.613 0.028 18374 8367 1 29 . 1 1 42 42 ALA H H 42 8.635 8.635 8.585 0.050 18374 8368 1 29 . 1 1 43 43 GLY N N 43 108.291 108.291 104.377 3.914 18374 8369 1 29 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.797 0.669 18374 8370 1 29 . 1 1 43 43 GLY H H 43 8.529 8.529 8.098 0.431 18374 8371 1 29 . 1 1 44 44 THR N N 44 113.961 113.961 118.826 -4.865 18374 8372 1 29 . 1 1 44 44 THR HA H 44 4.424 4.424 4.568 -0.144 18374 8373 1 29 . 1 1 44 44 THR CA C 44 62.074 62.074 62.381 -0.307 18374 8374 1 29 . 1 1 44 44 THR CB C 44 70.259 70.259 69.900 0.360 18374 8375 1 29 . 1 1 44 44 THR H H 44 7.971 7.971 7.902 0.069 18374 8376 1 29 . 1 1 45 45 SER N N 45 120.467 120.467 120.703 -0.236 18374 8377 1 29 . 1 1 45 45 SER HA H 45 4.280 4.280 4.602 -0.322 18374 8378 1 29 . 1 1 45 45 SER CA C 45 58.274 58.274 57.802 0.472 18374 8379 1 29 . 1 1 45 45 SER CB C 45 63.906 63.906 63.961 -0.055 18374 8380 1 29 . 1 1 45 45 SER H H 45 8.644 8.644 8.563 0.081 18374 8381 1 29 . 1 1 46 46 ARG N N 46 124.196 124.196 126.896 -2.700 18374 8382 1 29 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.506 0.414 18374 8383 1 29 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.550 -0.398 18374 8384 1 29 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.863 0.039 18374 8385 1 29 . 1 1 46 46 ARG H H 46 8.197 8.197 8.200 -0.003 18374 8386 1 29 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.502 -0.204 18374 8387 1 29 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.319 0.499 18374 8388 1 29 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.441 -0.256 18374 8389 1 29 . 1 1 48 48 GLY N N 48 108.071 108.071 108.737 -0.666 18374 8390 1 29 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.403 0.276 18374 8391 1 29 . 1 1 48 48 GLY H H 48 8.492 8.492 8.541 -0.049 18374 8392 1 29 . 1 1 49 49 THR N N 49 111.151 111.151 115.601 -4.450 18374 8393 1 29 . 1 1 49 49 THR HA H 49 4.377 4.377 4.355 0.022 18374 8394 1 29 . 1 1 49 49 THR CA C 49 60.690 60.690 60.893 -0.203 18374 8395 1 29 . 1 1 49 49 THR CB C 49 70.332 70.332 66.886 3.446 18374 8396 1 29 . 1 1 49 49 THR H H 49 7.669 7.669 7.793 -0.124 18374 8397 1 29 . 1 1 50 50 GLY N N 50 110.491 110.491 109.077 1.414 18374 8398 1 29 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.602 1.579 18374 8399 1 29 . 1 1 50 50 GLY H H 50 8.459 8.459 7.465 0.994 18374 8400 1 29 . 1 1 51 51 LEU N N 51 121.407 121.407 123.714 -2.307 18374 8401 1 29 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.613 -0.331 18374 8402 1 29 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.492 1.876 18374 8403 1 29 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.584 0.235 18374 8404 1 29 . 1 1 51 51 LEU H H 51 8.248 8.248 8.568 -0.320 18374 8405 1 29 . 1 1 52 52 ARG N N 52 124.997 124.997 123.885 1.112 18374 8406 1 29 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.694 1.153 18374 8407 1 29 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.894 -0.763 18374 8408 1 29 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.107 2.878 18374 8409 1 29 . 1 1 52 52 ARG H H 52 8.639 8.639 8.649 -0.010 18374 8410 1 29 . 1 1 53 53 CYS N N 53 120.743 120.743 122.702 -1.959 18374 8411 1 29 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.420 0.073 18374 8412 1 29 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.696 0.508 18374 8413 1 29 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.770 2.009 18374 8414 1 29 . 1 1 53 53 CYS H H 53 8.933 8.933 8.426 0.507 18374 8415 1 29 . 1 1 54 54 ARG N N 54 121.407 121.407 120.303 1.104 18374 8416 1 29 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.955 -0.145 18374 8417 1 29 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.411 -0.024 18374 8418 1 29 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.089 -1.206 18374 8419 1 29 . 1 1 54 54 ARG H H 54 10.380 10.380 8.661 1.719 18374 8420 1 29 . 1 1 55 55 SER N N 55 117.300 117.300 113.015 4.285 18374 8421 1 29 . 1 1 55 55 SER HA H 55 4.258 4.258 4.350 -0.092 18374 8422 1 29 . 1 1 55 55 SER CA C 55 61.216 61.216 60.988 0.228 18374 8423 1 29 . 1 1 55 55 SER CB C 55 62.830 62.830 63.437 -0.607 18374 8424 1 29 . 1 1 55 55 SER H H 55 8.228 8.228 8.016 0.212 18374 8425 1 29 . 1 1 56 56 CYS N N 56 122.602 122.602 119.947 2.655 18374 8426 1 29 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.285 -0.099 18374 8427 1 29 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.162 0.080 18374 8428 1 29 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.115 3.801 18374 8429 1 29 . 1 1 56 56 CYS H H 56 7.999 7.999 7.759 0.240 18374 8430 1 29 . 1 1 57 57 SER N N 57 115.430 115.430 113.936 1.494 18374 8431 1 29 . 1 1 57 57 SER HA H 57 4.266 4.266 4.542 -0.276 18374 8432 1 29 . 1 1 57 57 SER CA C 57 59.992 59.992 59.583 0.409 18374 8433 1 29 . 1 1 57 57 SER CB C 57 63.492 63.492 62.480 1.012 18374 8434 1 29 . 1 1 57 57 SER H H 57 7.938 7.938 8.060 -0.122 18374 8435 1 29 . 1 1 58 58 GLY N N 58 109.391 109.391 110.946 -1.555 18374 8436 1 29 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.618 -0.192 18374 8437 1 29 . 1 1 58 58 GLY H H 58 8.013 8.013 7.747 0.266 18374 8438 1 29 . 1 1 59 59 ASP N N 59 120.345 120.345 120.507 -0.162 18374 8439 1 29 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.894 -0.303 18374 8440 1 29 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.787 0.505 18374 8441 1 29 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.659 0.424 18374 8442 1 29 . 1 1 59 59 ASP H H 59 8.130 8.130 8.282 -0.152 18374 8443 1 29 . 1 1 60 60 VAL N N 60 119.548 119.548 116.608 2.940 18374 8444 1 29 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.360 -0.202 18374 8445 1 29 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.629 0.286 18374 8446 1 29 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.662 -0.147 18374 8447 1 29 . 1 1 60 60 VAL H H 60 8.072 8.072 7.349 0.723 18374 8448 1 29 . 1 1 61 61 THR N N 61 121.407 121.407 115.290 6.117 18374 8449 1 29 . 1 1 61 61 THR HA H 61 4.509 4.509 4.769 -0.260 18374 8450 1 29 . 1 1 61 61 THR CA C 61 59.848 59.848 58.800 1.048 18374 8451 1 29 . 1 1 61 61 THR CB C 61 69.602 69.602 68.864 0.738 18374 8452 1 29 . 1 1 61 61 THR H H 61 8.335 8.335 8.141 0.194 18374 8453 1 29 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.467 -0.105 18374 8454 1 29 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.857 0.046 18374 8455 1 29 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.334 -0.385 18374 8456 1 29 . 1 1 63 63 ALA N N 63 125.923 125.923 127.347 -1.424 18374 8457 1 29 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.480 0.058 18374 8458 1 29 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.440 -0.172 18374 8459 1 29 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.837 -1.137 18374 8460 1 29 . 1 1 63 63 ALA H H 63 8.368 8.368 8.221 0.147 18374 8461 1 29 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.426 -0.016 18374 8462 1 29 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.550 0.347 18374 8463 1 29 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.296 -0.372 18374 8464 1 29 . 1 1 65 65 VAL N N 65 120.526 120.526 125.823 -5.297 18374 8465 1 29 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.104 -0.031 18374 8466 1 29 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.423 -0.097 18374 8467 1 29 . 1 1 65 65 VAL CB C 65 32.080 32.080 30.813 1.267 18374 8468 1 29 . 1 1 65 65 VAL H H 65 8.270 8.270 8.365 -0.095 18374 8469 1 30 . 1 1 2 2 ALA N N 2 123.688 123.688 127.043 -3.355 18374 8470 1 30 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.860 -0.562 18374 8471 1 30 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.813 0.896 18374 8472 1 30 . 1 1 2 2 ALA CB C 2 19.235 19.235 20.586 -1.351 18374 8473 1 30 . 1 1 2 2 ALA H H 2 8.653 8.653 8.423 0.230 18374 8474 1 30 . 1 1 3 3 MET N N 3 119.289 119.289 121.948 -2.659 18374 8475 1 30 . 1 1 3 3 MET HA H 3 4.426 4.426 4.579 -0.153 18374 8476 1 30 . 1 1 3 3 MET CA C 3 55.430 55.430 54.901 0.529 18374 8477 1 30 . 1 1 3 3 MET CB C 3 32.532 32.532 31.258 1.274 18374 8478 1 30 . 1 1 3 3 MET H H 3 8.545 8.545 8.889 -0.344 18374 8479 1 30 . 1 1 4 4 GLU N N 4 122.149 122.149 120.194 1.955 18374 8480 1 30 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.361 -0.117 18374 8481 1 30 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.206 -0.175 18374 8482 1 30 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.262 -0.256 18374 8483 1 30 . 1 1 4 4 GLU H H 4 8.440 8.440 8.149 0.291 18374 8484 1 30 . 1 1 5 5 GLY N N 5 110.051 110.051 106.702 3.349 18374 8485 1 30 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.288 0.120 18374 8486 1 30 . 1 1 5 5 GLY H H 5 8.500 8.500 7.988 0.512 18374 8487 1 30 . 1 1 6 6 GLN N N 6 119.509 119.509 119.616 -0.107 18374 8488 1 30 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.536 -0.250 18374 8489 1 30 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.344 -0.345 18374 8490 1 30 . 1 1 6 6 GLN CB C 6 29.208 29.208 30.364 -1.156 18374 8491 1 30 . 1 1 6 6 GLN H H 6 8.242 8.242 8.207 0.035 18374 8492 1 30 . 1 1 7 7 GLN N N 7 121.049 121.049 120.402 0.647 18374 8493 1 30 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.383 -0.122 18374 8494 1 30 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.875 1.229 18374 8495 1 30 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.040 0.164 18374 8496 1 30 . 1 1 7 7 GLN H H 7 8.534 8.534 7.668 0.866 18374 8497 1 30 . 1 1 8 8 ASN N N 8 119.289 119.289 119.538 -0.249 18374 8498 1 30 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.755 -0.110 18374 8499 1 30 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.973 0.134 18374 8500 1 30 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.118 1.401 18374 8501 1 30 . 1 1 8 8 ASN H H 8 8.486 8.486 8.287 0.199 18374 8502 1 30 . 1 1 9 9 LEU N N 9 122.204 122.204 121.773 0.431 18374 8503 1 30 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.428 -0.137 18374 8504 1 30 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.669 0.047 18374 8505 1 30 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.395 0.002 18374 8506 1 30 . 1 1 9 9 LEU H H 9 8.145 8.145 7.549 0.596 18374 8507 1 30 . 1 1 10 10 ALA N N 10 126.188 126.188 127.786 -1.598 18374 8508 1 30 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.598 -0.065 18374 8509 1 30 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.116 0.221 18374 8510 1 30 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.939 -1.146 18374 8511 1 30 . 1 1 10 10 ALA H H 10 8.324 8.324 8.261 0.063 18374 8512 1 30 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.407 -0.043 18374 8513 1 30 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.567 0.341 18374 8514 1 30 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.587 0.282 18374 8515 1 30 . 1 1 12 12 GLY N N 12 108.951 108.951 112.823 -3.872 18374 8516 1 30 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.204 1.017 18374 8517 1 30 . 1 1 12 12 GLY H H 12 8.501 8.501 8.097 0.404 18374 8518 1 30 . 1 1 13 13 ALA N N 13 123.134 123.134 124.954 -1.820 18374 8519 1 30 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.301 -0.067 18374 8520 1 30 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.350 -0.241 18374 8521 1 30 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.866 1.659 18374 8522 1 30 . 1 1 13 13 ALA H H 13 7.957 7.957 8.316 -0.359 18374 8523 1 30 . 1 1 14 14 ARG N N 14 116.759 116.759 121.793 -5.034 18374 8524 1 30 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.587 -0.468 18374 8525 1 30 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.809 -0.999 18374 8526 1 30 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.290 -1.837 18374 8527 1 30 . 1 1 14 14 ARG H H 14 7.990 7.990 7.872 0.118 18374 8528 1 30 . 1 1 15 15 CYS N N 15 123.688 123.688 125.689 -2.001 18374 8529 1 30 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.984 -0.967 18374 8530 1 30 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.210 0.900 18374 8531 1 30 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.841 4.216 18374 8532 1 30 . 1 1 15 15 CYS H H 15 7.646 7.646 8.344 -0.698 18374 8533 1 30 . 1 1 16 16 GLY N N 16 117.749 117.749 115.660 2.089 18374 8534 1 30 . 1 1 16 16 GLY CA C 16 46.785 46.785 45.841 0.944 18374 8535 1 30 . 1 1 16 16 GLY H H 16 8.916 8.916 8.529 0.387 18374 8536 1 30 . 1 1 17 17 VAL N N 17 122.602 122.602 118.657 3.945 18374 8537 1 30 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.101 -0.087 18374 8538 1 30 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.132 0.899 18374 8539 1 30 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.774 1.066 18374 8540 1 30 . 1 1 17 17 VAL H H 17 8.856 8.856 7.598 1.258 18374 8541 1 30 . 1 1 18 18 CYS N N 18 115.430 115.430 113.896 1.534 18374 8542 1 30 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.871 0.055 18374 8543 1 30 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.996 -0.817 18374 8544 1 30 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.410 1.201 18374 8545 1 30 . 1 1 18 18 CYS H H 18 7.758 7.758 7.723 0.035 18374 8546 1 30 . 1 1 19 19 GLY N N 19 113.040 113.040 110.177 2.863 18374 8547 1 30 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.930 1.427 18374 8548 1 30 . 1 1 19 19 GLY H H 19 8.029 8.029 8.296 -0.267 18374 8549 1 30 . 1 1 20 20 ASP N N 20 123.399 123.399 121.791 1.608 18374 8550 1 30 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.894 0.113 18374 8551 1 30 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.075 -0.561 18374 8552 1 30 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.492 1.050 18374 8553 1 30 . 1 1 20 20 ASP H H 20 8.722 8.722 7.774 0.948 18374 8554 1 30 . 1 1 21 21 GLY N N 21 111.371 111.371 107.579 3.792 18374 8555 1 30 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.695 0.412 18374 8556 1 30 . 1 1 21 21 GLY H H 21 8.667 8.667 8.540 0.127 18374 8557 1 30 . 1 1 22 22 THR N N 22 118.220 118.220 117.366 0.854 18374 8558 1 30 . 1 1 22 22 THR HA H 22 3.979 3.979 4.233 -0.254 18374 8559 1 30 . 1 1 22 22 THR CA C 22 64.367 64.367 62.889 1.478 18374 8560 1 30 . 1 1 22 22 THR CB C 22 67.783 67.783 69.116 -1.333 18374 8561 1 30 . 1 1 22 22 THR H H 22 8.784 8.784 7.676 1.108 18374 8562 1 30 . 1 1 23 23 ASP N N 23 127.251 127.251 124.908 2.343 18374 8563 1 30 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.295 0.006 18374 8564 1 30 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.906 0.521 18374 8565 1 30 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.359 -1.320 18374 8566 1 30 . 1 1 23 23 ASP H H 23 9.376 9.376 8.926 0.450 18374 8567 1 30 . 1 1 24 24 VAL N N 24 111.371 111.371 114.187 -2.816 18374 8568 1 30 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.317 -0.757 18374 8569 1 30 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.917 0.799 18374 8570 1 30 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.608 -0.316 18374 8571 1 30 . 1 1 24 24 VAL H H 24 7.402 7.402 7.798 -0.396 18374 8572 1 30 . 1 1 25 25 LEU N N 25 123.908 123.908 127.191 -3.283 18374 8573 1 30 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.256 0.083 18374 8574 1 30 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.368 -1.846 18374 8575 1 30 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.597 -0.155 18374 8576 1 30 . 1 1 25 25 LEU H H 25 8.328 8.328 8.604 -0.276 18374 8577 1 30 . 1 1 26 26 ARG N N 26 116.626 116.626 120.149 -3.523 18374 8578 1 30 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.071 0.030 18374 8579 1 30 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.463 -0.808 18374 8580 1 30 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.004 -0.336 18374 8581 1 30 . 1 1 26 26 ARG H H 26 7.877 7.877 7.914 -0.037 18374 8582 1 30 . 1 1 27 27 CYS N N 27 126.328 126.328 124.047 2.281 18374 8583 1 30 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.160 -0.845 18374 8584 1 30 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.676 0.722 18374 8585 1 30 . 1 1 27 27 CYS CB C 27 30.667 30.667 27.471 3.196 18374 8586 1 30 . 1 1 27 27 CYS H H 27 9.182 9.182 8.491 0.691 18374 8587 1 30 . 1 1 28 28 THR N N 28 122.470 122.470 123.267 -0.797 18374 8588 1 30 . 1 1 28 28 THR HA H 28 4.166 4.166 4.318 -0.152 18374 8589 1 30 . 1 1 28 28 THR CA C 28 64.686 64.686 63.635 1.051 18374 8590 1 30 . 1 1 28 28 THR CB C 28 69.846 69.846 68.733 1.113 18374 8591 1 30 . 1 1 28 28 THR H H 28 8.956 8.956 8.967 -0.011 18374 8592 1 30 . 1 1 29 29 HIS N N 29 123.908 123.908 118.360 5.548 18374 8593 1 30 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.657 0.252 18374 8594 1 30 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.776 1.328 18374 8595 1 30 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.549 -1.004 18374 8596 1 30 . 1 1 29 29 HIS H H 29 9.464 9.464 8.143 1.321 18374 8597 1 30 . 1 1 30 30 CYS N N 30 119.946 119.946 115.446 4.500 18374 8598 1 30 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.781 0.030 18374 8599 1 30 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.617 2.473 18374 8600 1 30 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.709 2.189 18374 8601 1 30 . 1 1 30 30 CYS H H 30 8.710 8.710 7.804 0.906 18374 8602 1 30 . 1 1 31 31 ALA N N 31 120.477 120.477 124.861 -4.384 18374 8603 1 30 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.486 -0.202 18374 8604 1 30 . 1 1 31 31 ALA CA C 31 54.490 54.490 52.019 2.471 18374 8605 1 30 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.781 -1.363 18374 8606 1 30 . 1 1 31 31 ALA H H 31 7.626 7.626 8.369 -0.743 18374 8607 1 30 . 1 1 32 32 ALA N N 32 125.524 125.524 125.285 0.239 18374 8608 1 30 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.562 -0.316 18374 8609 1 30 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.581 1.259 18374 8610 1 30 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.146 -1.812 18374 8611 1 30 . 1 1 32 32 ALA H H 32 9.152 9.152 8.325 0.827 18374 8612 1 30 . 1 1 33 33 ALA N N 33 123.257 123.257 125.325 -2.068 18374 8613 1 30 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.465 -0.055 18374 8614 1 30 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.269 -0.463 18374 8615 1 30 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.509 -0.881 18374 8616 1 30 . 1 1 33 33 ALA H H 33 8.490 8.490 8.689 -0.199 18374 8617 1 30 . 1 1 34 34 PHE N N 34 118.220 118.220 120.397 -2.177 18374 8618 1 30 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.792 0.282 18374 8619 1 30 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.498 -0.736 18374 8620 1 30 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.834 -1.612 18374 8621 1 30 . 1 1 34 34 PHE H H 34 8.948 8.948 8.405 0.543 18374 8622 1 30 . 1 1 35 35 HIS N N 35 116.759 116.759 119.466 -2.707 18374 8623 1 30 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.949 -0.063 18374 8624 1 30 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.285 1.853 18374 8625 1 30 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.508 -0.485 18374 8626 1 30 . 1 1 35 35 HIS H H 35 7.932 7.932 7.888 0.044 18374 8627 1 30 . 1 1 36 36 TRP N N 36 127.649 127.649 125.417 2.232 18374 8628 1 30 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.521 -0.083 18374 8629 1 30 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.971 0.402 18374 8630 1 30 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.837 -0.513 18374 8631 1 30 . 1 1 36 36 TRP H H 36 9.421 9.421 9.139 0.282 18374 8632 1 30 . 1 1 37 37 ARG N N 37 113.040 113.040 117.775 -4.735 18374 8633 1 30 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.483 -0.079 18374 8634 1 30 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.826 -1.353 18374 8635 1 30 . 1 1 37 37 ARG CB C 37 29.167 29.167 30.012 -0.845 18374 8636 1 30 . 1 1 37 37 ARG H H 37 9.075 9.075 8.418 0.657 18374 8637 1 30 . 1 1 38 38 CYS N N 38 116.493 116.493 114.410 2.083 18374 8638 1 30 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.437 -0.219 18374 8639 1 30 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.636 1.823 18374 8640 1 30 . 1 1 38 38 CYS CB C 38 29.676 29.676 25.682 3.994 18374 8641 1 30 . 1 1 38 38 CYS H H 38 7.169 7.169 8.393 -1.224 18374 8642 1 30 . 1 1 39 39 HIS N N 39 118.220 118.220 116.346 1.874 18374 8643 1 30 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.344 -0.121 18374 8644 1 30 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.323 2.153 18374 8645 1 30 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.398 3.942 18374 8646 1 30 . 1 1 39 39 HIS H H 39 7.562 7.562 7.579 -0.017 18374 8647 1 30 . 1 1 40 40 PHE N N 40 117.157 117.157 118.136 -0.979 18374 8648 1 30 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.751 0.032 18374 8649 1 30 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.875 -2.216 18374 8650 1 30 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.677 0.130 18374 8651 1 30 . 1 1 40 40 PHE H H 40 8.282 8.282 8.428 -0.146 18374 8652 1 30 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.383 0.104 18374 8653 1 30 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.206 0.013 18374 8654 1 30 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.143 0.072 18374 8655 1 30 . 1 1 42 42 ALA N N 42 123.001 123.001 125.177 -2.176 18374 8656 1 30 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.184 0.174 18374 8657 1 30 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.219 -1.206 18374 8658 1 30 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.738 -0.097 18374 8659 1 30 . 1 1 42 42 ALA H H 42 8.635 8.635 8.625 0.010 18374 8660 1 30 . 1 1 43 43 GLY N N 43 108.291 108.291 103.715 4.576 18374 8661 1 30 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.985 0.481 18374 8662 1 30 . 1 1 43 43 GLY H H 43 8.529 8.529 8.168 0.361 18374 8663 1 30 . 1 1 44 44 THR N N 44 113.961 113.961 118.234 -4.273 18374 8664 1 30 . 1 1 44 44 THR HA H 44 4.424 4.424 4.659 -0.235 18374 8665 1 30 . 1 1 44 44 THR CA C 44 62.074 62.074 62.063 0.011 18374 8666 1 30 . 1 1 44 44 THR CB C 44 70.259 70.259 70.487 -0.228 18374 8667 1 30 . 1 1 44 44 THR H H 44 7.971 7.971 7.991 -0.020 18374 8668 1 30 . 1 1 45 45 SER N N 45 120.467 120.467 120.259 0.208 18374 8669 1 30 . 1 1 45 45 SER HA H 45 4.280 4.280 4.582 -0.302 18374 8670 1 30 . 1 1 45 45 SER CA C 45 58.274 58.274 57.828 0.446 18374 8671 1 30 . 1 1 45 45 SER CB C 45 63.906 63.906 63.728 0.178 18374 8672 1 30 . 1 1 45 45 SER H H 45 8.644 8.644 8.615 0.029 18374 8673 1 30 . 1 1 46 46 ARG N N 46 124.196 124.196 127.599 -3.403 18374 8674 1 30 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.132 0.788 18374 8675 1 30 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.284 -0.132 18374 8676 1 30 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.534 0.368 18374 8677 1 30 . 1 1 46 46 ARG H H 46 8.197 8.197 8.143 0.054 18374 8678 1 30 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.319 -0.021 18374 8679 1 30 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.525 0.293 18374 8680 1 30 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.693 -0.507 18374 8681 1 30 . 1 1 48 48 GLY N N 48 108.071 108.071 107.645 0.426 18374 8682 1 30 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.316 0.363 18374 8683 1 30 . 1 1 48 48 GLY H H 48 8.492 8.492 8.503 -0.011 18374 8684 1 30 . 1 1 49 49 THR N N 49 111.151 111.151 112.886 -1.735 18374 8685 1 30 . 1 1 49 49 THR HA H 49 4.377 4.377 4.405 -0.028 18374 8686 1 30 . 1 1 49 49 THR CA C 49 60.690 60.690 61.143 -0.453 18374 8687 1 30 . 1 1 49 49 THR CB C 49 70.332 70.332 69.955 0.377 18374 8688 1 30 . 1 1 49 49 THR H H 49 7.669 7.669 7.470 0.199 18374 8689 1 30 . 1 1 50 50 GLY N N 50 110.491 110.491 107.653 2.838 18374 8690 1 30 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.570 1.611 18374 8691 1 30 . 1 1 50 50 GLY H H 50 8.459 8.459 8.247 0.212 18374 8692 1 30 . 1 1 51 51 LEU N N 51 121.407 121.407 123.225 -1.818 18374 8693 1 30 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.816 -0.534 18374 8694 1 30 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.001 2.367 18374 8695 1 30 . 1 1 51 51 LEU CB C 51 42.819 42.819 43.828 -1.009 18374 8696 1 30 . 1 1 51 51 LEU H H 51 8.248 8.248 8.354 -0.106 18374 8697 1 30 . 1 1 52 52 ARG N N 52 124.997 124.997 122.570 2.427 18374 8698 1 30 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.806 1.041 18374 8699 1 30 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.029 -0.898 18374 8700 1 30 . 1 1 52 52 ARG CB C 52 34.985 34.985 31.899 3.086 18374 8701 1 30 . 1 1 52 52 ARG H H 52 8.639 8.639 8.663 -0.024 18374 8702 1 30 . 1 1 53 53 CYS N N 53 120.743 120.743 122.832 -2.089 18374 8703 1 30 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.166 -0.673 18374 8704 1 30 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.337 -0.134 18374 8705 1 30 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.528 1.251 18374 8706 1 30 . 1 1 53 53 CYS H H 53 8.933 8.933 8.619 0.314 18374 8707 1 30 . 1 1 54 54 ARG N N 54 121.407 121.407 121.123 0.284 18374 8708 1 30 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.811 -0.001 18374 8709 1 30 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.221 0.166 18374 8710 1 30 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.616 -0.733 18374 8711 1 30 . 1 1 54 54 ARG H H 54 10.380 10.380 8.473 1.907 18374 8712 1 30 . 1 1 55 55 SER N N 55 117.300 117.300 115.554 1.746 18374 8713 1 30 . 1 1 55 55 SER HA H 55 4.258 4.258 4.229 0.029 18374 8714 1 30 . 1 1 55 55 SER CA C 55 61.216 61.216 61.390 -0.174 18374 8715 1 30 . 1 1 55 55 SER CB C 55 62.830 62.830 63.021 -0.191 18374 8716 1 30 . 1 1 55 55 SER H H 55 8.228 8.228 7.966 0.262 18374 8717 1 30 . 1 1 56 56 CYS N N 56 122.602 122.602 120.145 2.457 18374 8718 1 30 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.326 -0.140 18374 8719 1 30 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.909 0.333 18374 8720 1 30 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.020 3.896 18374 8721 1 30 . 1 1 56 56 CYS H H 56 7.999 7.999 7.823 0.176 18374 8722 1 30 . 1 1 57 57 SER N N 57 115.430 115.430 114.531 0.899 18374 8723 1 30 . 1 1 57 57 SER HA H 57 4.266 4.266 4.361 -0.095 18374 8724 1 30 . 1 1 57 57 SER CA C 57 59.992 59.992 59.750 0.242 18374 8725 1 30 . 1 1 57 57 SER CB C 57 63.492 63.492 63.419 0.073 18374 8726 1 30 . 1 1 57 57 SER H H 57 7.938 7.938 8.039 -0.101 18374 8727 1 30 . 1 1 58 58 GLY N N 58 109.391 109.391 109.008 0.383 18374 8728 1 30 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.764 0.662 18374 8729 1 30 . 1 1 58 58 GLY H H 58 8.013 8.013 7.315 0.698 18374 8730 1 30 . 1 1 59 59 ASP N N 59 120.345 120.345 125.663 -5.318 18374 8731 1 30 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.670 -0.079 18374 8732 1 30 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.366 -0.074 18374 8733 1 30 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.699 -0.616 18374 8734 1 30 . 1 1 59 59 ASP H H 59 8.130 8.130 8.359 -0.229 18374 8735 1 30 . 1 1 60 60 VAL N N 60 119.548 119.548 126.074 -6.526 18374 8736 1 30 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.188 -0.030 18374 8737 1 30 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.956 -0.041 18374 8738 1 30 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.735 1.780 18374 8739 1 30 . 1 1 60 60 VAL H H 60 8.072 8.072 8.543 -0.471 18374 8740 1 30 . 1 1 61 61 THR N N 61 121.407 121.407 121.600 -0.193 18374 8741 1 30 . 1 1 61 61 THR HA H 61 4.509 4.509 4.581 -0.072 18374 8742 1 30 . 1 1 61 61 THR CA C 61 59.848 59.848 60.708 -0.860 18374 8743 1 30 . 1 1 61 61 THR CB C 61 69.602 69.602 69.258 0.344 18374 8744 1 30 . 1 1 61 61 THR H H 61 8.335 8.335 7.841 0.494 18374 8745 1 30 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.594 -0.232 18374 8746 1 30 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.215 0.688 18374 8747 1 30 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.652 -0.703 18374 8748 1 30 . 1 1 63 63 ALA N N 63 125.923 125.923 124.610 1.313 18374 8749 1 30 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.410 0.128 18374 8750 1 30 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.590 -0.322 18374 8751 1 30 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.588 -0.888 18374 8752 1 30 . 1 1 63 63 ALA H H 63 8.368 8.368 8.396 -0.028 18374 8753 1 30 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.457 -0.047 18374 8754 1 30 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.968 -0.071 18374 8755 1 30 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.272 1.652 18374 8756 1 30 . 1 1 65 65 VAL N N 65 120.526 120.526 118.876 1.650 18374 8757 1 30 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.375 -0.302 18374 8758 1 30 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.987 0.339 18374 8759 1 30 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.480 -0.400 18374 8760 1 30 . 1 1 65 65 VAL H H 65 8.270 8.270 8.011 0.259 18374 8761 1 31 . 1 1 2 2 ALA N N 2 123.688 123.688 123.264 0.424 18374 8762 1 31 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.612 -0.314 18374 8763 1 31 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.087 0.623 18374 8764 1 31 . 1 1 2 2 ALA CB C 2 19.235 19.235 20.031 -0.796 18374 8765 1 31 . 1 1 2 2 ALA H H 2 8.653 8.653 8.224 0.429 18374 8766 1 31 . 1 1 3 3 MET N N 3 119.289 119.289 122.767 -3.478 18374 8767 1 31 . 1 1 3 3 MET HA H 3 4.426 4.426 4.566 -0.140 18374 8768 1 31 . 1 1 3 3 MET CA C 3 55.430 55.430 55.534 -0.104 18374 8769 1 31 . 1 1 3 3 MET CB C 3 32.532 32.532 32.938 -0.406 18374 8770 1 31 . 1 1 3 3 MET H H 3 8.545 8.545 8.520 0.025 18374 8771 1 31 . 1 1 4 4 GLU N N 4 122.149 122.149 123.379 -1.230 18374 8772 1 31 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.489 -0.245 18374 8773 1 31 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.989 1.042 18374 8774 1 31 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.120 0.885 18374 8775 1 31 . 1 1 4 4 GLU H H 4 8.440 8.440 8.728 -0.288 18374 8776 1 31 . 1 1 5 5 GLY N N 5 110.051 110.051 113.213 -3.162 18374 8777 1 31 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.637 -0.229 18374 8778 1 31 . 1 1 5 5 GLY H H 5 8.500 8.500 8.802 -0.302 18374 8779 1 31 . 1 1 6 6 GLN N N 6 119.509 119.509 116.489 3.020 18374 8780 1 31 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.345 -0.059 18374 8781 1 31 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.686 0.314 18374 8782 1 31 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.742 -0.534 18374 8783 1 31 . 1 1 6 6 GLN H H 6 8.242 8.242 8.367 -0.125 18374 8784 1 31 . 1 1 7 7 GLN N N 7 121.049 121.049 118.545 2.504 18374 8785 1 31 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.444 -0.183 18374 8786 1 31 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.783 0.321 18374 8787 1 31 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.971 -0.767 18374 8788 1 31 . 1 1 7 7 GLN H H 7 8.534 8.534 7.759 0.775 18374 8789 1 31 . 1 1 8 8 ASN N N 8 119.289 119.289 120.780 -1.491 18374 8790 1 31 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.455 0.190 18374 8791 1 31 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.798 -0.691 18374 8792 1 31 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.731 0.788 18374 8793 1 31 . 1 1 8 8 ASN H H 8 8.486 8.486 8.648 -0.162 18374 8794 1 31 . 1 1 9 9 LEU N N 9 122.204 122.204 120.320 1.884 18374 8795 1 31 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.430 -0.139 18374 8796 1 31 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.846 -0.130 18374 8797 1 31 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.663 0.734 18374 8798 1 31 . 1 1 9 9 LEU H H 9 8.145 8.145 7.937 0.208 18374 8799 1 31 . 1 1 10 10 ALA N N 10 126.188 126.188 129.063 -2.875 18374 8800 1 31 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.552 -0.020 18374 8801 1 31 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.737 -0.400 18374 8802 1 31 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.945 -1.152 18374 8803 1 31 . 1 1 10 10 ALA H H 10 8.324 8.324 8.247 0.077 18374 8804 1 31 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.481 -0.117 18374 8805 1 31 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.594 1.313 18374 8806 1 31 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.608 1.261 18374 8807 1 31 . 1 1 12 12 GLY N N 12 108.951 108.951 109.364 -0.413 18374 8808 1 31 . 1 1 12 12 GLY CA C 12 45.221 45.221 43.929 1.292 18374 8809 1 31 . 1 1 12 12 GLY H H 12 8.501 8.501 8.047 0.454 18374 8810 1 31 . 1 1 13 13 ALA N N 13 123.134 123.134 123.521 -0.387 18374 8811 1 31 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.304 -0.070 18374 8812 1 31 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.319 -0.210 18374 8813 1 31 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.364 2.161 18374 8814 1 31 . 1 1 13 13 ALA H H 13 7.957 7.957 8.442 -0.485 18374 8815 1 31 . 1 1 14 14 ARG N N 14 116.759 116.759 121.781 -5.022 18374 8816 1 31 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.584 -0.465 18374 8817 1 31 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.806 -1.996 18374 8818 1 31 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.263 -1.810 18374 8819 1 31 . 1 1 14 14 ARG H H 14 7.990 7.990 7.895 0.095 18374 8820 1 31 . 1 1 15 15 CYS N N 15 123.688 123.688 126.394 -2.706 18374 8821 1 31 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.628 -0.611 18374 8822 1 31 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.291 0.819 18374 8823 1 31 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.607 3.450 18374 8824 1 31 . 1 1 15 15 CYS H H 15 7.646 7.646 8.672 -1.026 18374 8825 1 31 . 1 1 16 16 GLY N N 16 117.749 117.749 116.227 1.522 18374 8826 1 31 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.156 -0.371 18374 8827 1 31 . 1 1 16 16 GLY H H 16 8.916 8.916 9.184 -0.268 18374 8828 1 31 . 1 1 17 17 VAL N N 17 122.602 122.602 120.127 2.475 18374 8829 1 31 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.075 -0.061 18374 8830 1 31 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.365 0.666 18374 8831 1 31 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.126 0.714 18374 8832 1 31 . 1 1 17 17 VAL H H 17 8.856 8.856 7.839 1.017 18374 8833 1 31 . 1 1 18 18 CYS N N 18 115.430 115.430 117.133 -1.703 18374 8834 1 31 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.708 0.218 18374 8835 1 31 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.684 -1.505 18374 8836 1 31 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.499 1.112 18374 8837 1 31 . 1 1 18 18 CYS H H 18 7.758 7.758 7.920 -0.162 18374 8838 1 31 . 1 1 19 19 GLY N N 19 113.040 113.040 108.637 4.403 18374 8839 1 31 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.431 0.926 18374 8840 1 31 . 1 1 19 19 GLY H H 19 8.029 8.029 8.805 -0.776 18374 8841 1 31 . 1 1 20 20 ASP N N 20 123.399 123.399 121.335 2.064 18374 8842 1 31 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.782 0.225 18374 8843 1 31 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.524 -1.010 18374 8844 1 31 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.109 1.433 18374 8845 1 31 . 1 1 20 20 ASP H H 20 8.722 8.722 7.952 0.770 18374 8846 1 31 . 1 1 21 21 GLY N N 21 111.371 111.371 107.977 3.394 18374 8847 1 31 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.739 0.368 18374 8848 1 31 . 1 1 21 21 GLY H H 21 8.667 8.667 8.517 0.150 18374 8849 1 31 . 1 1 22 22 THR N N 22 118.220 118.220 116.363 1.857 18374 8850 1 31 . 1 1 22 22 THR HA H 22 3.979 3.979 4.283 -0.304 18374 8851 1 31 . 1 1 22 22 THR CA C 22 64.367 64.367 62.761 1.606 18374 8852 1 31 . 1 1 22 22 THR CB C 22 67.783 67.783 69.338 -1.555 18374 8853 1 31 . 1 1 22 22 THR H H 22 8.784 8.784 7.583 1.201 18374 8854 1 31 . 1 1 23 23 ASP N N 23 127.251 127.251 123.786 3.465 18374 8855 1 31 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.311 -0.010 18374 8856 1 31 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.008 0.419 18374 8857 1 31 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.349 -1.310 18374 8858 1 31 . 1 1 23 23 ASP H H 23 9.376 9.376 8.868 0.508 18374 8859 1 31 . 1 1 24 24 VAL N N 24 111.371 111.371 113.698 -2.327 18374 8860 1 31 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.520 -0.960 18374 8861 1 31 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.265 1.451 18374 8862 1 31 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.430 -1.138 18374 8863 1 31 . 1 1 24 24 VAL H H 24 7.402 7.402 7.872 -0.470 18374 8864 1 31 . 1 1 25 25 LEU N N 25 123.908 123.908 124.457 -0.549 18374 8865 1 31 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.471 -0.132 18374 8866 1 31 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.830 -1.308 18374 8867 1 31 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.148 -0.706 18374 8868 1 31 . 1 1 25 25 LEU H H 25 8.328 8.328 8.539 -0.211 18374 8869 1 31 . 1 1 26 26 ARG N N 26 116.626 116.626 119.916 -3.290 18374 8870 1 31 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.469 -0.368 18374 8871 1 31 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.281 -1.626 18374 8872 1 31 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.860 -0.192 18374 8873 1 31 . 1 1 26 26 ARG H H 26 7.877 7.877 8.039 -0.162 18374 8874 1 31 . 1 1 27 27 CYS N N 27 126.328 126.328 121.736 4.592 18374 8875 1 31 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.786 -0.471 18374 8876 1 31 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.737 1.661 18374 8877 1 31 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.608 2.059 18374 8878 1 31 . 1 1 27 27 CYS H H 27 9.182 9.182 8.527 0.655 18374 8879 1 31 . 1 1 28 28 THR N N 28 122.470 122.470 120.742 1.728 18374 8880 1 31 . 1 1 28 28 THR HA H 28 4.166 4.166 4.330 -0.164 18374 8881 1 31 . 1 1 28 28 THR CA C 28 64.686 64.686 63.434 1.252 18374 8882 1 31 . 1 1 28 28 THR CB C 28 69.846 69.846 69.036 0.810 18374 8883 1 31 . 1 1 28 28 THR H H 28 8.956 8.956 8.956 0.000 18374 8884 1 31 . 1 1 29 29 HIS N N 29 123.908 123.908 118.504 5.404 18374 8885 1 31 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.695 0.214 18374 8886 1 31 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.080 1.024 18374 8887 1 31 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.875 -1.330 18374 8888 1 31 . 1 1 29 29 HIS H H 29 9.464 9.464 7.929 1.535 18374 8889 1 31 . 1 1 30 30 CYS N N 30 119.946 119.946 117.231 2.715 18374 8890 1 31 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.723 0.088 18374 8891 1 31 . 1 1 30 30 CYS CA C 30 59.090 59.090 57.407 1.683 18374 8892 1 31 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.042 1.856 18374 8893 1 31 . 1 1 30 30 CYS H H 30 8.710 8.710 7.834 0.876 18374 8894 1 31 . 1 1 31 31 ALA N N 31 120.477 120.477 124.572 -4.095 18374 8895 1 31 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.464 -0.180 18374 8896 1 31 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.858 2.632 18374 8897 1 31 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.866 -1.448 18374 8898 1 31 . 1 1 31 31 ALA H H 31 7.626 7.626 8.451 -0.825 18374 8899 1 31 . 1 1 32 32 ALA N N 32 125.524 125.524 126.553 -1.029 18374 8900 1 31 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.500 -0.254 18374 8901 1 31 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.721 1.119 18374 8902 1 31 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.661 -1.327 18374 8903 1 31 . 1 1 32 32 ALA H H 32 9.152 9.152 8.238 0.914 18374 8904 1 31 . 1 1 33 33 ALA N N 33 123.257 123.257 127.383 -4.126 18374 8905 1 31 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.597 -0.187 18374 8906 1 31 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.004 -0.198 18374 8907 1 31 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.549 -0.921 18374 8908 1 31 . 1 1 33 33 ALA H H 33 8.490 8.490 8.646 -0.155 18374 8909 1 31 . 1 1 34 34 PHE N N 34 118.220 118.220 120.208 -1.988 18374 8910 1 31 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.723 0.351 18374 8911 1 31 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.340 -0.578 18374 8912 1 31 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.846 -1.624 18374 8913 1 31 . 1 1 34 34 PHE H H 34 8.948 8.948 8.522 0.426 18374 8914 1 31 . 1 1 35 35 HIS N N 35 116.759 116.759 120.970 -4.211 18374 8915 1 31 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.890 -0.004 18374 8916 1 31 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.781 1.357 18374 8917 1 31 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.284 0.739 18374 8918 1 31 . 1 1 35 35 HIS H H 35 7.932 7.932 8.414 -0.482 18374 8919 1 31 . 1 1 36 36 TRP N N 36 127.649 127.649 126.884 0.765 18374 8920 1 31 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.672 -0.234 18374 8921 1 31 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.986 0.387 18374 8922 1 31 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.940 -0.616 18374 8923 1 31 . 1 1 36 36 TRP H H 36 9.421 9.421 9.171 0.250 18374 8924 1 31 . 1 1 37 37 ARG N N 37 113.040 113.040 115.246 -2.206 18374 8925 1 31 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.442 -0.038 18374 8926 1 31 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.220 -0.747 18374 8927 1 31 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.620 -0.453 18374 8928 1 31 . 1 1 37 37 ARG H H 37 9.075 9.075 8.516 0.559 18374 8929 1 31 . 1 1 38 38 CYS N N 38 116.493 116.493 115.785 0.708 18374 8930 1 31 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.584 -0.366 18374 8931 1 31 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.065 2.394 18374 8932 1 31 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.091 2.584 18374 8933 1 31 . 1 1 38 38 CYS H H 38 7.169 7.169 8.003 -0.834 18374 8934 1 31 . 1 1 39 39 HIS N N 39 118.220 118.220 115.915 2.305 18374 8935 1 31 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.283 -0.060 18374 8936 1 31 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.014 1.462 18374 8937 1 31 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.060 4.280 18374 8938 1 31 . 1 1 39 39 HIS H H 39 7.562 7.562 7.674 -0.112 18374 8939 1 31 . 1 1 40 40 PHE N N 40 117.157 117.157 117.279 -0.122 18374 8940 1 31 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.744 0.039 18374 8941 1 31 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.892 -2.233 18374 8942 1 31 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.171 -1.364 18374 8943 1 31 . 1 1 40 40 PHE H H 40 8.282 8.282 7.969 0.313 18374 8944 1 31 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.529 -0.042 18374 8945 1 31 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.796 0.423 18374 8946 1 31 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.232 -0.017 18374 8947 1 31 . 1 1 42 42 ALA N N 42 123.001 123.001 123.753 -0.752 18374 8948 1 31 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.218 0.140 18374 8949 1 31 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.967 -0.954 18374 8950 1 31 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.559 0.082 18374 8951 1 31 . 1 1 42 42 ALA H H 42 8.635 8.635 8.569 0.066 18374 8952 1 31 . 1 1 43 43 GLY N N 43 108.291 108.291 104.830 3.461 18374 8953 1 31 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.959 0.507 18374 8954 1 31 . 1 1 43 43 GLY H H 43 8.529 8.529 8.110 0.419 18374 8955 1 31 . 1 1 44 44 THR N N 44 113.961 113.961 119.990 -6.029 18374 8956 1 31 . 1 1 44 44 THR HA H 44 4.424 4.424 4.514 -0.090 18374 8957 1 31 . 1 1 44 44 THR CA C 44 62.074 62.074 62.586 -0.512 18374 8958 1 31 . 1 1 44 44 THR CB C 44 70.259 70.259 69.318 0.941 18374 8959 1 31 . 1 1 44 44 THR H H 44 7.971 7.971 7.866 0.105 18374 8960 1 31 . 1 1 45 45 SER N N 45 120.467 120.467 120.805 -0.338 18374 8961 1 31 . 1 1 45 45 SER HA H 45 4.280 4.280 4.715 -0.435 18374 8962 1 31 . 1 1 45 45 SER CA C 45 58.274 58.274 57.581 0.693 18374 8963 1 31 . 1 1 45 45 SER CB C 45 63.906 63.906 64.236 -0.330 18374 8964 1 31 . 1 1 45 45 SER H H 45 8.644 8.644 8.584 0.060 18374 8965 1 31 . 1 1 46 46 ARG N N 46 124.196 124.196 122.997 1.199 18374 8966 1 31 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.793 0.127 18374 8967 1 31 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.869 -0.717 18374 8968 1 31 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.400 1.502 18374 8969 1 31 . 1 1 46 46 ARG H H 46 8.197 8.197 8.212 -0.015 18374 8970 1 31 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.456 -0.158 18374 8971 1 31 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.111 0.707 18374 8972 1 31 . 1 1 47 47 PRO CB C 47 32.186 32.186 33.287 -1.101 18374 8973 1 31 . 1 1 48 48 GLY N N 48 108.071 108.071 109.018 -0.947 18374 8974 1 31 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.664 0.015 18374 8975 1 31 . 1 1 48 48 GLY H H 48 8.492 8.492 8.675 -0.183 18374 8976 1 31 . 1 1 49 49 THR N N 49 111.151 111.151 112.123 -0.972 18374 8977 1 31 . 1 1 49 49 THR HA H 49 4.377 4.377 4.346 0.031 18374 8978 1 31 . 1 1 49 49 THR CA C 49 60.690 60.690 61.048 -0.358 18374 8979 1 31 . 1 1 49 49 THR CB C 49 70.332 70.332 68.974 1.358 18374 8980 1 31 . 1 1 49 49 THR H H 49 7.669 7.669 7.693 -0.024 18374 8981 1 31 . 1 1 50 50 GLY N N 50 110.491 110.491 108.348 2.143 18374 8982 1 31 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.526 1.655 18374 8983 1 31 . 1 1 50 50 GLY H H 50 8.459 8.459 7.284 1.175 18374 8984 1 31 . 1 1 51 51 LEU N N 51 121.407 121.407 122.706 -1.299 18374 8985 1 31 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.321 -0.039 18374 8986 1 31 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.134 1.234 18374 8987 1 31 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.276 0.543 18374 8988 1 31 . 1 1 51 51 LEU H H 51 8.248 8.248 8.403 -0.155 18374 8989 1 31 . 1 1 52 52 ARG N N 52 124.997 124.997 125.938 -0.941 18374 8990 1 31 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.850 0.997 18374 8991 1 31 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.006 -0.875 18374 8992 1 31 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.464 2.521 18374 8993 1 31 . 1 1 52 52 ARG H H 52 8.639 8.639 8.621 0.018 18374 8994 1 31 . 1 1 53 53 CYS N N 53 120.743 120.743 123.199 -2.456 18374 8995 1 31 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.734 -1.241 18374 8996 1 31 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.505 -0.302 18374 8997 1 31 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.574 1.205 18374 8998 1 31 . 1 1 53 53 CYS H H 53 8.933 8.933 8.541 0.392 18374 8999 1 31 . 1 1 54 54 ARG N N 54 121.407 121.407 119.625 1.782 18374 9000 1 31 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.896 -0.086 18374 9001 1 31 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.086 0.301 18374 9002 1 31 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.698 -0.815 18374 9003 1 31 . 1 1 54 54 ARG H H 54 10.380 10.380 8.635 1.745 18374 9004 1 31 . 1 1 55 55 SER N N 55 117.300 117.300 115.754 1.546 18374 9005 1 31 . 1 1 55 55 SER HA H 55 4.258 4.258 4.293 -0.035 18374 9006 1 31 . 1 1 55 55 SER CA C 55 61.216 61.216 60.904 0.312 18374 9007 1 31 . 1 1 55 55 SER CB C 55 62.830 62.830 63.206 -0.376 18374 9008 1 31 . 1 1 55 55 SER H H 55 8.228 8.228 8.166 0.062 18374 9009 1 31 . 1 1 56 56 CYS N N 56 122.602 122.602 120.120 2.482 18374 9010 1 31 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.386 -0.200 18374 9011 1 31 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.689 0.553 18374 9012 1 31 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.695 3.221 18374 9013 1 31 . 1 1 56 56 CYS H H 56 7.999 7.999 7.798 0.201 18374 9014 1 31 . 1 1 57 57 SER N N 57 115.430 115.430 112.663 2.767 18374 9015 1 31 . 1 1 57 57 SER HA H 57 4.266 4.266 4.620 -0.354 18374 9016 1 31 . 1 1 57 57 SER CA C 57 59.992 59.992 58.330 1.662 18374 9017 1 31 . 1 1 57 57 SER CB C 57 63.492 63.492 63.209 0.283 18374 9018 1 31 . 1 1 57 57 SER H H 57 7.938 7.938 7.979 -0.041 18374 9019 1 31 . 1 1 58 58 GLY N N 58 109.391 109.391 111.026 -1.635 18374 9020 1 31 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.753 0.673 18374 9021 1 31 . 1 1 58 58 GLY H H 58 8.013 8.013 7.576 0.437 18374 9022 1 31 . 1 1 59 59 ASP N N 59 120.345 120.345 121.666 -1.321 18374 9023 1 31 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.666 -0.075 18374 9024 1 31 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.404 0.888 18374 9025 1 31 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.590 -1.507 18374 9026 1 31 . 1 1 59 59 ASP H H 59 8.130 8.130 8.019 0.111 18374 9027 1 31 . 1 1 60 60 VAL N N 60 119.548 119.548 120.437 -0.889 18374 9028 1 31 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.437 -0.279 18374 9029 1 31 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.125 0.790 18374 9030 1 31 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.842 1.673 18374 9031 1 31 . 1 1 60 60 VAL H H 60 8.072 8.072 8.388 -0.316 18374 9032 1 31 . 1 1 61 61 THR N N 61 121.407 121.407 121.281 0.126 18374 9033 1 31 . 1 1 61 61 THR HA H 61 4.509 4.509 4.369 0.140 18374 9034 1 31 . 1 1 61 61 THR CA C 61 59.848 59.848 62.301 -2.453 18374 9035 1 31 . 1 1 61 61 THR CB C 61 69.602 69.602 69.099 0.503 18374 9036 1 31 . 1 1 61 61 THR H H 61 8.335 8.335 7.859 0.476 18374 9037 1 31 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.462 -0.100 18374 9038 1 31 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.773 0.130 18374 9039 1 31 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.569 -0.620 18374 9040 1 31 . 1 1 63 63 ALA N N 63 125.923 125.923 126.608 -0.685 18374 9041 1 31 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.527 0.011 18374 9042 1 31 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.249 0.019 18374 9043 1 31 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.932 -1.232 18374 9044 1 31 . 1 1 63 63 ALA H H 63 8.368 8.368 8.294 0.074 18374 9045 1 31 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.454 -0.044 18374 9046 1 31 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.893 0.004 18374 9047 1 31 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.329 1.595 18374 9048 1 31 . 1 1 65 65 VAL N N 65 120.526 120.526 125.225 -4.699 18374 9049 1 31 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.089 -0.016 18374 9050 1 31 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.290 0.036 18374 9051 1 31 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.919 0.161 18374 9052 1 31 . 1 1 65 65 VAL H H 65 8.270 8.270 7.974 0.296 18374 9053 1 32 . 1 1 2 2 ALA N N 2 123.688 123.688 122.272 1.416 18374 9054 1 32 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.431 -0.133 18374 9055 1 32 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.466 -0.756 18374 9056 1 32 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.373 -0.138 18374 9057 1 32 . 1 1 2 2 ALA H H 2 8.653 8.653 8.353 0.300 18374 9058 1 32 . 1 1 3 3 MET N N 3 119.289 119.289 117.328 1.961 18374 9059 1 32 . 1 1 3 3 MET HA H 3 4.426 4.426 4.261 0.165 18374 9060 1 32 . 1 1 3 3 MET CA C 3 55.430 55.430 57.056 -1.625 18374 9061 1 32 . 1 1 3 3 MET CB C 3 32.532 32.532 32.326 0.206 18374 9062 1 32 . 1 1 3 3 MET H H 3 8.545 8.545 8.058 0.487 18374 9063 1 32 . 1 1 4 4 GLU N N 4 122.149 122.149 118.700 3.449 18374 9064 1 32 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.238 0.006 18374 9065 1 32 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.443 0.588 18374 9066 1 32 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.282 -0.276 18374 9067 1 32 . 1 1 4 4 GLU H H 4 8.440 8.440 7.955 0.485 18374 9068 1 32 . 1 1 5 5 GLY N N 5 110.051 110.051 106.158 3.893 18374 9069 1 32 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.926 0.482 18374 9070 1 32 . 1 1 5 5 GLY H H 5 8.500 8.500 7.471 1.029 18374 9071 1 32 . 1 1 6 6 GLN N N 6 119.509 119.509 124.063 -4.554 18374 9072 1 32 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.334 -0.048 18374 9073 1 32 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.840 0.161 18374 9074 1 32 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.641 -0.433 18374 9075 1 32 . 1 1 6 6 GLN H H 6 8.242 8.242 8.744 -0.502 18374 9076 1 32 . 1 1 7 7 GLN N N 7 121.049 121.049 120.706 0.343 18374 9077 1 32 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.101 0.160 18374 9078 1 32 . 1 1 7 7 GLN CA C 7 56.104 56.104 58.442 -2.338 18374 9079 1 32 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.287 0.917 18374 9080 1 32 . 1 1 7 7 GLN H H 7 8.534 8.534 8.848 -0.314 18374 9081 1 32 . 1 1 8 8 ASN N N 8 119.289 119.289 116.768 2.521 18374 9082 1 32 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.771 -0.126 18374 9083 1 32 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.873 -0.766 18374 9084 1 32 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.347 0.172 18374 9085 1 32 . 1 1 8 8 ASN H H 8 8.486 8.486 7.996 0.490 18374 9086 1 32 . 1 1 9 9 LEU N N 9 122.204 122.204 121.394 0.810 18374 9087 1 32 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.482 -0.191 18374 9088 1 32 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.770 0.946 18374 9089 1 32 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.673 0.724 18374 9090 1 32 . 1 1 9 9 LEU H H 9 8.145 8.145 7.393 0.752 18374 9091 1 32 . 1 1 10 10 ALA N N 10 126.188 126.188 123.425 2.763 18374 9092 1 32 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.543 -0.011 18374 9093 1 32 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.712 0.625 18374 9094 1 32 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.740 -0.947 18374 9095 1 32 . 1 1 10 10 ALA H H 10 8.324 8.324 7.859 0.465 18374 9096 1 32 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.439 -0.075 18374 9097 1 32 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.748 1.160 18374 9098 1 32 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.063 1.806 18374 9099 1 32 . 1 1 12 12 GLY N N 12 108.951 108.951 110.617 -1.666 18374 9100 1 32 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.866 -0.645 18374 9101 1 32 . 1 1 12 12 GLY H H 12 8.501 8.501 8.696 -0.195 18374 9102 1 32 . 1 1 13 13 ALA N N 13 123.134 123.134 125.108 -1.974 18374 9103 1 32 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.704 -0.470 18374 9104 1 32 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.029 1.080 18374 9105 1 32 . 1 1 13 13 ALA CB C 13 19.525 19.525 20.988 -1.463 18374 9106 1 32 . 1 1 13 13 ALA H H 13 7.957 7.957 8.209 -0.252 18374 9107 1 32 . 1 1 14 14 ARG N N 14 116.759 116.759 117.923 -1.164 18374 9108 1 32 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.504 -0.385 18374 9109 1 32 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.669 -0.859 18374 9110 1 32 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.038 -1.585 18374 9111 1 32 . 1 1 14 14 ARG H H 14 7.990 7.990 8.358 -0.368 18374 9112 1 32 . 1 1 15 15 CYS N N 15 123.688 123.688 122.851 0.837 18374 9113 1 32 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.450 -0.433 18374 9114 1 32 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.234 -0.124 18374 9115 1 32 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.384 4.673 18374 9116 1 32 . 1 1 15 15 CYS H H 15 7.646 7.646 8.537 -0.891 18374 9117 1 32 . 1 1 16 16 GLY N N 16 117.749 117.749 116.720 1.029 18374 9118 1 32 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.204 -0.419 18374 9119 1 32 . 1 1 16 16 GLY H H 16 8.916 8.916 9.027 -0.111 18374 9120 1 32 . 1 1 17 17 VAL N N 17 122.602 122.602 120.720 1.882 18374 9121 1 32 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.970 0.044 18374 9122 1 32 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.771 0.260 18374 9123 1 32 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.163 0.677 18374 9124 1 32 . 1 1 17 17 VAL H H 17 8.856 8.856 7.899 0.957 18374 9125 1 32 . 1 1 18 18 CYS N N 18 115.430 115.430 117.350 -1.920 18374 9126 1 32 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.726 0.200 18374 9127 1 32 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.574 -1.395 18374 9128 1 32 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.437 2.174 18374 9129 1 32 . 1 1 18 18 CYS H H 18 7.758 7.758 7.904 -0.146 18374 9130 1 32 . 1 1 19 19 GLY N N 19 113.040 113.040 110.062 2.978 18374 9131 1 32 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.305 1.052 18374 9132 1 32 . 1 1 19 19 GLY H H 19 8.029 8.029 8.721 -0.692 18374 9133 1 32 . 1 1 20 20 ASP N N 20 123.399 123.399 118.153 5.246 18374 9134 1 32 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.854 0.153 18374 9135 1 32 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.834 0.680 18374 9136 1 32 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.005 0.537 18374 9137 1 32 . 1 1 20 20 ASP H H 20 8.722 8.722 7.475 1.247 18374 9138 1 32 . 1 1 21 21 GLY N N 21 111.371 111.371 108.516 2.855 18374 9139 1 32 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.582 0.525 18374 9140 1 32 . 1 1 21 21 GLY H H 21 8.667 8.667 8.516 0.151 18374 9141 1 32 . 1 1 22 22 THR N N 22 118.220 118.220 119.338 -1.118 18374 9142 1 32 . 1 1 22 22 THR HA H 22 3.979 3.979 4.367 -0.388 18374 9143 1 32 . 1 1 22 22 THR CA C 22 64.367 64.367 63.803 0.564 18374 9144 1 32 . 1 1 22 22 THR CB C 22 67.783 67.783 69.250 -1.467 18374 9145 1 32 . 1 1 22 22 THR H H 22 8.784 8.784 8.438 0.346 18374 9146 1 32 . 1 1 23 23 ASP N N 23 127.251 127.251 123.027 4.224 18374 9147 1 32 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.324 -0.024 18374 9148 1 32 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.156 0.271 18374 9149 1 32 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.021 -0.982 18374 9150 1 32 . 1 1 23 23 ASP H H 23 9.376 9.376 8.728 0.648 18374 9151 1 32 . 1 1 24 24 VAL N N 24 111.371 111.371 117.767 -6.396 18374 9152 1 32 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.383 -0.823 18374 9153 1 32 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.447 1.270 18374 9154 1 32 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.625 -1.333 18374 9155 1 32 . 1 1 24 24 VAL H H 24 7.402 7.402 8.247 -0.845 18374 9156 1 32 . 1 1 25 25 LEU N N 25 123.908 123.908 127.308 -3.400 18374 9157 1 32 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.500 -0.161 18374 9158 1 32 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.184 -1.662 18374 9159 1 32 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.570 -0.128 18374 9160 1 32 . 1 1 25 25 LEU H H 25 8.328 8.328 8.830 -0.502 18374 9161 1 32 . 1 1 26 26 ARG N N 26 116.626 116.626 120.005 -3.379 18374 9162 1 32 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.238 -0.137 18374 9163 1 32 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.480 -0.825 18374 9164 1 32 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.062 -0.394 18374 9165 1 32 . 1 1 26 26 ARG H H 26 7.877 7.877 8.152 -0.275 18374 9166 1 32 . 1 1 27 27 CYS N N 27 126.328 126.328 122.530 3.798 18374 9167 1 32 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.888 -0.573 18374 9168 1 32 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.451 1.947 18374 9169 1 32 . 1 1 27 27 CYS CB C 27 30.667 30.667 27.537 3.130 18374 9170 1 32 . 1 1 27 27 CYS H H 27 9.182 9.182 8.482 0.700 18374 9171 1 32 . 1 1 28 28 THR N N 28 122.470 122.470 121.747 0.723 18374 9172 1 32 . 1 1 28 28 THR HA H 28 4.166 4.166 4.301 -0.135 18374 9173 1 32 . 1 1 28 28 THR CA C 28 64.686 64.686 63.515 1.171 18374 9174 1 32 . 1 1 28 28 THR CB C 28 69.846 69.846 68.975 0.871 18374 9175 1 32 . 1 1 28 28 THR H H 28 8.956 8.956 9.045 -0.089 18374 9176 1 32 . 1 1 29 29 HIS N N 29 123.908 123.908 119.018 4.890 18374 9177 1 32 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.656 0.253 18374 9178 1 32 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.291 0.813 18374 9179 1 32 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.584 -1.039 18374 9180 1 32 . 1 1 29 29 HIS H H 29 9.464 9.464 8.163 1.301 18374 9181 1 32 . 1 1 30 30 CYS N N 30 119.946 119.946 115.180 4.766 18374 9182 1 32 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.780 0.031 18374 9183 1 32 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.670 2.420 18374 9184 1 32 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.407 2.491 18374 9185 1 32 . 1 1 30 30 CYS H H 30 8.710 8.710 7.836 0.874 18374 9186 1 32 . 1 1 31 31 ALA N N 31 120.477 120.477 124.840 -4.363 18374 9187 1 32 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.527 -0.243 18374 9188 1 32 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.892 2.598 18374 9189 1 32 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.850 -1.432 18374 9190 1 32 . 1 1 31 31 ALA H H 31 7.626 7.626 8.357 -0.731 18374 9191 1 32 . 1 1 32 32 ALA N N 32 125.524 125.524 125.383 0.141 18374 9192 1 32 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.560 -0.314 18374 9193 1 32 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.547 1.292 18374 9194 1 32 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.559 -1.225 18374 9195 1 32 . 1 1 32 32 ALA H H 32 9.152 9.152 8.429 0.723 18374 9196 1 32 . 1 1 33 33 ALA N N 33 123.257 123.257 124.143 -0.886 18374 9197 1 32 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.692 -0.282 18374 9198 1 32 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.803 -0.997 18374 9199 1 32 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.671 -1.042 18374 9200 1 32 . 1 1 33 33 ALA H H 33 8.490 8.490 8.477 0.013 18374 9201 1 32 . 1 1 34 34 PHE N N 34 118.220 118.220 118.950 -0.730 18374 9202 1 32 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.831 0.243 18374 9203 1 32 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.369 -0.607 18374 9204 1 32 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.615 -1.393 18374 9205 1 32 . 1 1 34 34 PHE H H 34 8.948 8.948 8.294 0.654 18374 9206 1 32 . 1 1 35 35 HIS N N 35 116.759 116.759 119.639 -2.880 18374 9207 1 32 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.880 0.006 18374 9208 1 32 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.183 1.955 18374 9209 1 32 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.231 -0.208 18374 9210 1 32 . 1 1 35 35 HIS H H 35 7.932 7.932 8.321 -0.389 18374 9211 1 32 . 1 1 36 36 TRP N N 36 127.649 127.649 126.790 0.859 18374 9212 1 32 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.641 -0.203 18374 9213 1 32 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.123 0.249 18374 9214 1 32 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.817 -0.493 18374 9215 1 32 . 1 1 36 36 TRP H H 36 9.421 9.421 9.056 0.365 18374 9216 1 32 . 1 1 37 37 ARG N N 37 113.040 113.040 116.895 -3.855 18374 9217 1 32 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.111 0.293 18374 9218 1 32 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.104 -1.631 18374 9219 1 32 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.756 -0.589 18374 9220 1 32 . 1 1 37 37 ARG H H 37 9.075 9.075 8.705 0.370 18374 9221 1 32 . 1 1 38 38 CYS N N 38 116.493 116.493 114.715 1.778 18374 9222 1 32 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.459 -0.241 18374 9223 1 32 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.622 1.837 18374 9224 1 32 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.502 3.174 18374 9225 1 32 . 1 1 38 38 CYS H H 38 7.169 7.169 7.818 -0.649 18374 9226 1 32 . 1 1 39 39 HIS N N 39 118.220 118.220 116.701 1.519 18374 9227 1 32 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.347 -0.124 18374 9228 1 32 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.623 0.853 18374 9229 1 32 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.657 3.683 18374 9230 1 32 . 1 1 39 39 HIS H H 39 7.562 7.562 7.734 -0.172 18374 9231 1 32 . 1 1 40 40 PHE N N 40 117.157 117.157 116.830 0.327 18374 9232 1 32 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.770 0.013 18374 9233 1 32 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.343 -2.684 18374 9234 1 32 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.081 -0.275 18374 9235 1 32 . 1 1 40 40 PHE H H 40 8.282 8.282 8.376 -0.094 18374 9236 1 32 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.620 -0.133 18374 9237 1 32 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.413 -0.194 18374 9238 1 32 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.479 0.736 18374 9239 1 32 . 1 1 42 42 ALA N N 42 123.001 123.001 121.548 1.453 18374 9240 1 32 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.357 0.001 18374 9241 1 32 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.901 1.111 18374 9242 1 32 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.800 -0.160 18374 9243 1 32 . 1 1 42 42 ALA H H 42 8.635 8.635 8.147 0.488 18374 9244 1 32 . 1 1 43 43 GLY N N 43 108.291 108.291 107.122 1.169 18374 9245 1 32 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.904 0.562 18374 9246 1 32 . 1 1 43 43 GLY H H 43 8.529 8.529 8.266 0.263 18374 9247 1 32 . 1 1 44 44 THR N N 44 113.961 113.961 117.244 -3.283 18374 9248 1 32 . 1 1 44 44 THR HA H 44 4.424 4.424 4.350 0.074 18374 9249 1 32 . 1 1 44 44 THR CA C 44 62.074 62.074 63.088 -1.014 18374 9250 1 32 . 1 1 44 44 THR CB C 44 70.259 70.259 69.412 0.847 18374 9251 1 32 . 1 1 44 44 THR H H 44 7.971 7.971 7.988 -0.017 18374 9252 1 32 . 1 1 45 45 SER N N 45 120.467 120.467 121.483 -1.016 18374 9253 1 32 . 1 1 45 45 SER HA H 45 4.280 4.280 4.714 -0.434 18374 9254 1 32 . 1 1 45 45 SER CA C 45 58.274 58.274 58.222 0.052 18374 9255 1 32 . 1 1 45 45 SER CB C 45 63.906 63.906 64.203 -0.297 18374 9256 1 32 . 1 1 45 45 SER H H 45 8.644 8.644 8.621 0.023 18374 9257 1 32 . 1 1 46 46 ARG N N 46 124.196 124.196 124.492 -0.296 18374 9258 1 32 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.089 0.831 18374 9259 1 32 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.416 -0.264 18374 9260 1 32 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.237 1.665 18374 9261 1 32 . 1 1 46 46 ARG H H 46 8.197 8.197 8.117 0.080 18374 9262 1 32 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.388 -0.090 18374 9263 1 32 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.272 0.546 18374 9264 1 32 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.578 -0.392 18374 9265 1 32 . 1 1 48 48 GLY N N 48 108.071 108.071 109.553 -1.482 18374 9266 1 32 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.788 -0.109 18374 9267 1 32 . 1 1 48 48 GLY H H 48 8.492 8.492 8.623 -0.131 18374 9268 1 32 . 1 1 49 49 THR N N 49 111.151 111.151 114.535 -3.384 18374 9269 1 32 . 1 1 49 49 THR HA H 49 4.377 4.377 4.313 0.064 18374 9270 1 32 . 1 1 49 49 THR CA C 49 60.690 60.690 60.422 0.268 18374 9271 1 32 . 1 1 49 49 THR CB C 49 70.332 70.332 67.181 3.151 18374 9272 1 32 . 1 1 49 49 THR H H 49 7.669 7.669 7.709 -0.040 18374 9273 1 32 . 1 1 50 50 GLY N N 50 110.491 110.491 109.483 1.008 18374 9274 1 32 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.530 1.651 18374 9275 1 32 . 1 1 50 50 GLY H H 50 8.459 8.459 7.269 1.190 18374 9276 1 32 . 1 1 51 51 LEU N N 51 121.407 121.407 124.078 -2.671 18374 9277 1 32 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.202 0.080 18374 9278 1 32 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.178 1.190 18374 9279 1 32 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.250 0.569 18374 9280 1 32 . 1 1 51 51 LEU H H 51 8.248 8.248 8.211 0.037 18374 9281 1 32 . 1 1 52 52 ARG N N 52 124.997 124.997 125.916 -0.919 18374 9282 1 32 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.795 1.052 18374 9283 1 32 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.003 -0.872 18374 9284 1 32 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.333 2.652 18374 9285 1 32 . 1 1 52 52 ARG H H 52 8.639 8.639 8.404 0.235 18374 9286 1 32 . 1 1 53 53 CYS N N 53 120.743 120.743 122.097 -1.354 18374 9287 1 32 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.647 -1.154 18374 9288 1 32 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.537 -0.333 18374 9289 1 32 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.276 1.503 18374 9290 1 32 . 1 1 53 53 CYS H H 53 8.933 8.933 8.569 0.364 18374 9291 1 32 . 1 1 54 54 ARG N N 54 121.407 121.407 120.915 0.492 18374 9292 1 32 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.038 -0.228 18374 9293 1 32 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.245 -0.858 18374 9294 1 32 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.040 -1.157 18374 9295 1 32 . 1 1 54 54 ARG H H 54 10.380 10.380 8.700 1.680 18374 9296 1 32 . 1 1 55 55 SER N N 55 117.300 117.300 113.964 3.336 18374 9297 1 32 . 1 1 55 55 SER HA H 55 4.258 4.258 4.262 -0.004 18374 9298 1 32 . 1 1 55 55 SER CA C 55 61.216 61.216 61.279 -0.063 18374 9299 1 32 . 1 1 55 55 SER CB C 55 62.830 62.830 63.061 -0.231 18374 9300 1 32 . 1 1 55 55 SER H H 55 8.228 8.228 8.144 0.084 18374 9301 1 32 . 1 1 56 56 CYS N N 56 122.602 122.602 120.655 1.947 18374 9302 1 32 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.383 -0.197 18374 9303 1 32 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.247 -0.005 18374 9304 1 32 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.333 3.583 18374 9305 1 32 . 1 1 56 56 CYS H H 56 7.999 7.999 7.843 0.156 18374 9306 1 32 . 1 1 57 57 SER N N 57 115.430 115.430 115.867 -0.437 18374 9307 1 32 . 1 1 57 57 SER HA H 57 4.266 4.266 4.437 -0.171 18374 9308 1 32 . 1 1 57 57 SER CA C 57 59.992 59.992 60.562 -0.570 18374 9309 1 32 . 1 1 57 57 SER CB C 57 63.492 63.492 63.338 0.154 18374 9310 1 32 . 1 1 57 57 SER H H 57 7.938 7.938 8.340 -0.402 18374 9311 1 32 . 1 1 58 58 GLY N N 58 109.391 109.391 108.493 0.898 18374 9312 1 32 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.596 0.830 18374 9313 1 32 . 1 1 58 58 GLY H H 58 8.013 8.013 7.494 0.519 18374 9314 1 32 . 1 1 59 59 ASP N N 59 120.345 120.345 121.854 -1.509 18374 9315 1 32 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.687 -0.096 18374 9316 1 32 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.956 0.335 18374 9317 1 32 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.217 -0.134 18374 9318 1 32 . 1 1 59 59 ASP H H 59 8.130 8.130 7.594 0.536 18374 9319 1 32 . 1 1 60 60 VAL N N 60 119.548 119.548 126.397 -6.849 18374 9320 1 32 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.268 -0.110 18374 9321 1 32 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.640 0.275 18374 9322 1 32 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.434 0.082 18374 9323 1 32 . 1 1 60 60 VAL H H 60 8.072 8.072 8.177 -0.105 18374 9324 1 32 . 1 1 61 61 THR N N 61 121.407 121.407 124.972 -3.565 18374 9325 1 32 . 1 1 61 61 THR HA H 61 4.509 4.509 4.596 -0.087 18374 9326 1 32 . 1 1 61 61 THR CA C 61 59.848 59.848 60.756 -0.908 18374 9327 1 32 . 1 1 61 61 THR CB C 61 69.602 69.602 68.689 0.913 18374 9328 1 32 . 1 1 61 61 THR H H 61 8.335 8.335 8.484 -0.149 18374 9329 1 32 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.546 -0.184 18374 9330 1 32 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.689 0.214 18374 9331 1 32 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.661 -0.713 18374 9332 1 32 . 1 1 63 63 ALA N N 63 125.923 125.923 126.174 -0.251 18374 9333 1 32 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.581 -0.043 18374 9334 1 32 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.077 0.191 18374 9335 1 32 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.136 -1.436 18374 9336 1 32 . 1 1 63 63 ALA H H 63 8.368 8.368 8.227 0.141 18374 9337 1 32 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.574 -0.164 18374 9338 1 32 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.826 0.071 18374 9339 1 32 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.847 0.077 18374 9340 1 32 . 1 1 65 65 VAL N N 65 120.526 120.526 122.727 -2.201 18374 9341 1 32 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.386 -0.313 18374 9342 1 32 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.347 0.979 18374 9343 1 32 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.086 -1.006 18374 9344 1 32 . 1 1 65 65 VAL H H 65 8.270 8.270 8.307 -0.037 18374 9345 1 33 . 1 1 2 2 ALA N N 2 123.688 123.688 122.296 1.392 18374 9346 1 33 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.276 0.022 18374 9347 1 33 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.514 -0.804 18374 9348 1 33 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.257 -0.022 18374 9349 1 33 . 1 1 2 2 ALA H H 2 8.653 8.653 8.129 0.524 18374 9350 1 33 . 1 1 3 3 MET N N 3 119.289 119.289 118.809 0.480 18374 9351 1 33 . 1 1 3 3 MET HA H 3 4.426 4.426 4.614 -0.188 18374 9352 1 33 . 1 1 3 3 MET CA C 3 55.430 55.430 54.999 0.431 18374 9353 1 33 . 1 1 3 3 MET CB C 3 32.532 32.532 33.488 -0.956 18374 9354 1 33 . 1 1 3 3 MET H H 3 8.545 8.545 7.733 0.812 18374 9355 1 33 . 1 1 4 4 GLU N N 4 122.149 122.149 124.981 -2.832 18374 9356 1 33 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.321 -0.077 18374 9357 1 33 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.349 0.682 18374 9358 1 33 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.898 0.108 18374 9359 1 33 . 1 1 4 4 GLU H H 4 8.440 8.440 8.907 -0.467 18374 9360 1 33 . 1 1 5 5 GLY N N 5 110.051 110.051 114.802 -4.751 18374 9361 1 33 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.142 -0.734 18374 9362 1 33 . 1 1 5 5 GLY H H 5 8.500 8.500 8.526 -0.026 18374 9363 1 33 . 1 1 6 6 GLN N N 6 119.509 119.509 121.663 -2.154 18374 9364 1 33 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.115 0.171 18374 9365 1 33 . 1 1 6 6 GLN CA C 6 56.000 56.000 58.185 -2.185 18374 9366 1 33 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.969 0.239 18374 9367 1 33 . 1 1 6 6 GLN H H 6 8.242 8.242 8.439 -0.197 18374 9368 1 33 . 1 1 7 7 GLN N N 7 121.049 121.049 117.176 3.873 18374 9369 1 33 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.359 -0.098 18374 9370 1 33 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.249 0.855 18374 9371 1 33 . 1 1 7 7 GLN CB C 7 29.204 29.204 26.726 2.478 18374 9372 1 33 . 1 1 7 7 GLN H H 7 8.534 8.534 8.523 0.011 18374 9373 1 33 . 1 1 8 8 ASN N N 8 119.289 119.289 116.877 2.412 18374 9374 1 33 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.573 0.072 18374 9375 1 33 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.604 -1.497 18374 9376 1 33 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.736 -0.217 18374 9377 1 33 . 1 1 8 8 ASN H H 8 8.486 8.486 7.861 0.625 18374 9378 1 33 . 1 1 9 9 LEU N N 9 122.204 122.204 122.516 -0.312 18374 9379 1 33 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.650 -0.359 18374 9380 1 33 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.513 1.203 18374 9381 1 33 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.163 0.234 18374 9382 1 33 . 1 1 9 9 LEU H H 9 8.145 8.145 7.914 0.231 18374 9383 1 33 . 1 1 10 10 ALA N N 10 126.188 126.188 128.486 -2.298 18374 9384 1 33 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.413 0.119 18374 9385 1 33 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.877 -0.540 18374 9386 1 33 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.415 -0.622 18374 9387 1 33 . 1 1 10 10 ALA H H 10 8.324 8.324 8.751 -0.426 18374 9388 1 33 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.445 -0.081 18374 9389 1 33 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.785 1.123 18374 9390 1 33 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.389 1.480 18374 9391 1 33 . 1 1 12 12 GLY N N 12 108.951 108.951 108.794 0.157 18374 9392 1 33 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.582 -0.361 18374 9393 1 33 . 1 1 12 12 GLY H H 12 8.501 8.501 8.307 0.194 18374 9394 1 33 . 1 1 13 13 ALA N N 13 123.134 123.134 121.883 1.251 18374 9395 1 33 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.678 -0.444 18374 9396 1 33 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.267 0.842 18374 9397 1 33 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.592 -0.067 18374 9398 1 33 . 1 1 13 13 ALA H H 13 7.957 7.957 8.205 -0.248 18374 9399 1 33 . 1 1 14 14 ARG N N 14 116.759 116.759 121.003 -4.244 18374 9400 1 33 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.461 -0.342 18374 9401 1 33 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.711 -1.901 18374 9402 1 33 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.579 -1.126 18374 9403 1 33 . 1 1 14 14 ARG H H 14 7.990 7.990 7.853 0.137 18374 9404 1 33 . 1 1 15 15 CYS N N 15 123.688 123.688 126.447 -2.759 18374 9405 1 33 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.801 -0.784 18374 9406 1 33 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.302 0.808 18374 9407 1 33 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.138 3.919 18374 9408 1 33 . 1 1 15 15 CYS H H 15 7.646 7.646 8.657 -1.011 18374 9409 1 33 . 1 1 16 16 GLY N N 16 117.749 117.749 116.891 0.858 18374 9410 1 33 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.799 -0.014 18374 9411 1 33 . 1 1 16 16 GLY H H 16 8.916 8.916 8.920 -0.004 18374 9412 1 33 . 1 1 17 17 VAL N N 17 122.602 122.602 120.158 2.444 18374 9413 1 33 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.914 0.100 18374 9414 1 33 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.603 0.428 18374 9415 1 33 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.352 0.488 18374 9416 1 33 . 1 1 17 17 VAL H H 17 8.856 8.856 7.851 1.005 18374 9417 1 33 . 1 1 18 18 CYS N N 18 115.430 115.430 117.522 -2.092 18374 9418 1 33 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.698 0.228 18374 9419 1 33 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.520 -1.341 18374 9420 1 33 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.756 1.855 18374 9421 1 33 . 1 1 18 18 CYS H H 18 7.758 7.758 7.978 -0.220 18374 9422 1 33 . 1 1 19 19 GLY N N 19 113.040 113.040 108.582 4.458 18374 9423 1 33 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.319 1.038 18374 9424 1 33 . 1 1 19 19 GLY H H 19 8.029 8.029 8.843 -0.814 18374 9425 1 33 . 1 1 20 20 ASP N N 20 123.399 123.399 120.877 2.522 18374 9426 1 33 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.962 0.045 18374 9427 1 33 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.580 -0.066 18374 9428 1 33 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.389 0.153 18374 9429 1 33 . 1 1 20 20 ASP H H 20 8.722 8.722 7.648 1.074 18374 9430 1 33 . 1 1 21 21 GLY N N 21 111.371 111.371 108.074 3.297 18374 9431 1 33 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.777 0.330 18374 9432 1 33 . 1 1 21 21 GLY H H 21 8.667 8.667 8.548 0.119 18374 9433 1 33 . 1 1 22 22 THR N N 22 118.220 118.220 116.965 1.255 18374 9434 1 33 . 1 1 22 22 THR HA H 22 3.979 3.979 4.290 -0.311 18374 9435 1 33 . 1 1 22 22 THR CA C 22 64.367 64.367 63.535 0.832 18374 9436 1 33 . 1 1 22 22 THR CB C 22 67.783 67.783 68.858 -1.075 18374 9437 1 33 . 1 1 22 22 THR H H 22 8.784 8.784 7.705 1.079 18374 9438 1 33 . 1 1 23 23 ASP N N 23 127.251 127.251 125.901 1.350 18374 9439 1 33 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.318 -0.017 18374 9440 1 33 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.955 0.472 18374 9441 1 33 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.375 -1.336 18374 9442 1 33 . 1 1 23 23 ASP H H 23 9.376 9.376 8.948 0.428 18374 9443 1 33 . 1 1 24 24 VAL N N 24 111.371 111.371 113.654 -2.283 18374 9444 1 33 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.470 -0.910 18374 9445 1 33 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.302 1.414 18374 9446 1 33 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.695 -0.403 18374 9447 1 33 . 1 1 24 24 VAL H H 24 7.402 7.402 7.998 -0.596 18374 9448 1 33 . 1 1 25 25 LEU N N 25 123.908 123.908 125.128 -1.220 18374 9449 1 33 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.498 -0.159 18374 9450 1 33 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.147 -1.625 18374 9451 1 33 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.036 -0.594 18374 9452 1 33 . 1 1 25 25 LEU H H 25 8.328 8.328 8.703 -0.375 18374 9453 1 33 . 1 1 26 26 ARG N N 26 116.626 116.626 118.711 -2.085 18374 9454 1 33 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.271 -0.170 18374 9455 1 33 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.362 -0.707 18374 9456 1 33 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.177 -0.509 18374 9457 1 33 . 1 1 26 26 ARG H H 26 7.877 7.877 8.225 -0.348 18374 9458 1 33 . 1 1 27 27 CYS N N 27 126.328 126.328 123.155 3.173 18374 9459 1 33 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.921 -0.606 18374 9460 1 33 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.455 1.943 18374 9461 1 33 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.228 2.439 18374 9462 1 33 . 1 1 27 27 CYS H H 27 9.182 9.182 8.513 0.669 18374 9463 1 33 . 1 1 28 28 THR N N 28 122.470 122.470 121.829 0.641 18374 9464 1 33 . 1 1 28 28 THR HA H 28 4.166 4.166 4.359 -0.193 18374 9465 1 33 . 1 1 28 28 THR CA C 28 64.686 64.686 63.749 0.937 18374 9466 1 33 . 1 1 28 28 THR CB C 28 69.846 69.846 68.867 0.979 18374 9467 1 33 . 1 1 28 28 THR H H 28 8.956 8.956 9.004 -0.048 18374 9468 1 33 . 1 1 29 29 HIS N N 29 123.908 123.908 118.986 4.922 18374 9469 1 33 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.658 0.251 18374 9470 1 33 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.130 0.974 18374 9471 1 33 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.264 -0.719 18374 9472 1 33 . 1 1 29 29 HIS H H 29 9.464 9.464 8.253 1.211 18374 9473 1 33 . 1 1 30 30 CYS N N 30 119.946 119.946 115.189 4.757 18374 9474 1 33 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.769 0.042 18374 9475 1 33 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.646 2.444 18374 9476 1 33 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.505 2.393 18374 9477 1 33 . 1 1 30 30 CYS H H 30 8.710 8.710 7.793 0.917 18374 9478 1 33 . 1 1 31 31 ALA N N 31 120.477 120.477 124.623 -4.146 18374 9479 1 33 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.494 -0.210 18374 9480 1 33 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.823 2.667 18374 9481 1 33 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.960 -1.542 18374 9482 1 33 . 1 1 31 31 ALA H H 31 7.626 7.626 8.341 -0.715 18374 9483 1 33 . 1 1 32 32 ALA N N 32 125.524 125.524 126.027 -0.503 18374 9484 1 33 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.585 -0.339 18374 9485 1 33 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.405 1.435 18374 9486 1 33 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.240 -1.906 18374 9487 1 33 . 1 1 32 32 ALA H H 32 9.152 9.152 8.327 0.825 18374 9488 1 33 . 1 1 33 33 ALA N N 33 123.257 123.257 126.367 -3.110 18374 9489 1 33 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.649 -0.239 18374 9490 1 33 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.012 -0.206 18374 9491 1 33 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.649 -1.021 18374 9492 1 33 . 1 1 33 33 ALA H H 33 8.490 8.490 8.673 -0.183 18374 9493 1 33 . 1 1 34 34 PHE N N 34 118.220 118.220 120.193 -1.973 18374 9494 1 33 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.845 0.229 18374 9495 1 33 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.796 -1.034 18374 9496 1 33 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.089 -1.867 18374 9497 1 33 . 1 1 34 34 PHE H H 34 8.948 8.948 8.044 0.904 18374 9498 1 33 . 1 1 35 35 HIS N N 35 116.759 116.759 122.078 -5.319 18374 9499 1 33 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.860 0.026 18374 9500 1 33 . 1 1 35 35 HIS CA C 35 56.138 56.138 55.176 0.962 18374 9501 1 33 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.941 1.082 18374 9502 1 33 . 1 1 35 35 HIS H H 35 7.932 7.932 7.997 -0.065 18374 9503 1 33 . 1 1 36 36 TRP N N 36 127.649 127.649 127.082 0.567 18374 9504 1 33 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.580 -0.142 18374 9505 1 33 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.098 0.275 18374 9506 1 33 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.799 -0.475 18374 9507 1 33 . 1 1 36 36 TRP H H 36 9.421 9.421 9.268 0.153 18374 9508 1 33 . 1 1 37 37 ARG N N 37 113.040 113.040 117.207 -4.167 18374 9509 1 33 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.244 0.160 18374 9510 1 33 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.118 -1.645 18374 9511 1 33 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.769 -0.602 18374 9512 1 33 . 1 1 37 37 ARG H H 37 9.075 9.075 8.684 0.391 18374 9513 1 33 . 1 1 38 38 CYS N N 38 116.493 116.493 115.215 1.278 18374 9514 1 33 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.414 -0.196 18374 9515 1 33 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.527 1.932 18374 9516 1 33 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.248 3.428 18374 9517 1 33 . 1 1 38 38 CYS H H 38 7.169 7.169 8.017 -0.848 18374 9518 1 33 . 1 1 39 39 HIS N N 39 118.220 118.220 118.053 0.167 18374 9519 1 33 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.311 -0.088 18374 9520 1 33 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.932 0.544 18374 9521 1 33 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.227 3.113 18374 9522 1 33 . 1 1 39 39 HIS H H 39 7.562 7.562 7.521 0.041 18374 9523 1 33 . 1 1 40 40 PHE N N 40 117.157 117.157 118.136 -0.979 18374 9524 1 33 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.645 0.138 18374 9525 1 33 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.468 -2.809 18374 9526 1 33 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.088 -0.281 18374 9527 1 33 . 1 1 40 40 PHE H H 40 8.282 8.282 8.138 0.144 18374 9528 1 33 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.601 -0.114 18374 9529 1 33 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.327 0.892 18374 9530 1 33 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.500 -0.285 18374 9531 1 33 . 1 1 42 42 ALA N N 42 123.001 123.001 122.198 0.803 18374 9532 1 33 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.153 0.205 18374 9533 1 33 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.881 -1.868 18374 9534 1 33 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.410 0.231 18374 9535 1 33 . 1 1 42 42 ALA H H 42 8.635 8.635 8.485 0.150 18374 9536 1 33 . 1 1 43 43 GLY N N 43 108.291 108.291 102.284 6.007 18374 9537 1 33 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.368 0.098 18374 9538 1 33 . 1 1 43 43 GLY H H 43 8.529 8.529 8.351 0.178 18374 9539 1 33 . 1 1 44 44 THR N N 44 113.961 113.961 118.793 -4.832 18374 9540 1 33 . 1 1 44 44 THR HA H 44 4.424 4.424 4.673 -0.249 18374 9541 1 33 . 1 1 44 44 THR CA C 44 62.074 62.074 61.828 0.246 18374 9542 1 33 . 1 1 44 44 THR CB C 44 70.259 70.259 70.518 -0.259 18374 9543 1 33 . 1 1 44 44 THR H H 44 7.971 7.971 7.826 0.145 18374 9544 1 33 . 1 1 45 45 SER N N 45 120.467 120.467 120.882 -0.415 18374 9545 1 33 . 1 1 45 45 SER HA H 45 4.280 4.280 4.820 -0.540 18374 9546 1 33 . 1 1 45 45 SER CA C 45 58.274 58.274 57.785 0.489 18374 9547 1 33 . 1 1 45 45 SER CB C 45 63.906 63.906 64.398 -0.492 18374 9548 1 33 . 1 1 45 45 SER H H 45 8.644 8.644 8.580 0.064 18374 9549 1 33 . 1 1 46 46 ARG N N 46 124.196 124.196 123.308 0.888 18374 9550 1 33 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.873 0.047 18374 9551 1 33 . 1 1 46 46 ARG CA C 46 53.152 53.152 54.168 -1.016 18374 9552 1 33 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.426 0.476 18374 9553 1 33 . 1 1 46 46 ARG H H 46 8.197 8.197 8.277 -0.080 18374 9554 1 33 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.387 -0.089 18374 9555 1 33 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.657 0.161 18374 9556 1 33 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.382 -0.196 18374 9557 1 33 . 1 1 48 48 GLY N N 48 108.071 108.071 108.574 -0.503 18374 9558 1 33 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.242 0.437 18374 9559 1 33 . 1 1 48 48 GLY H H 48 8.492 8.492 8.539 -0.047 18374 9560 1 33 . 1 1 49 49 THR N N 49 111.151 111.151 112.703 -1.552 18374 9561 1 33 . 1 1 49 49 THR HA H 49 4.377 4.377 4.367 0.010 18374 9562 1 33 . 1 1 49 49 THR CA C 49 60.690 60.690 60.575 0.115 18374 9563 1 33 . 1 1 49 49 THR CB C 49 70.332 70.332 70.115 0.217 18374 9564 1 33 . 1 1 49 49 THR H H 49 7.669 7.669 7.274 0.395 18374 9565 1 33 . 1 1 50 50 GLY N N 50 110.491 110.491 108.760 1.731 18374 9566 1 33 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.755 1.427 18374 9567 1 33 . 1 1 50 50 GLY H H 50 8.459 8.459 8.290 0.169 18374 9568 1 33 . 1 1 51 51 LEU N N 51 121.407 121.407 124.154 -2.747 18374 9569 1 33 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.335 -0.053 18374 9570 1 33 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.152 1.216 18374 9571 1 33 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.296 0.523 18374 9572 1 33 . 1 1 51 51 LEU H H 51 8.248 8.248 8.346 -0.098 18374 9573 1 33 . 1 1 52 52 ARG N N 52 124.997 124.997 125.737 -0.740 18374 9574 1 33 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.798 1.049 18374 9575 1 33 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.938 -0.807 18374 9576 1 33 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.210 2.775 18374 9577 1 33 . 1 1 52 52 ARG H H 52 8.639 8.639 8.384 0.255 18374 9578 1 33 . 1 1 53 53 CYS N N 53 120.743 120.743 122.305 -1.562 18374 9579 1 33 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.641 -1.148 18374 9580 1 33 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.617 -0.413 18374 9581 1 33 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.392 1.387 18374 9582 1 33 . 1 1 53 53 CYS H H 53 8.933 8.933 8.564 0.369 18374 9583 1 33 . 1 1 54 54 ARG N N 54 121.407 121.407 120.542 0.865 18374 9584 1 33 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.081 -0.271 18374 9585 1 33 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.160 -0.773 18374 9586 1 33 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.244 -1.361 18374 9587 1 33 . 1 1 54 54 ARG H H 54 10.380 10.380 8.690 1.690 18374 9588 1 33 . 1 1 55 55 SER N N 55 117.300 117.300 114.542 2.758 18374 9589 1 33 . 1 1 55 55 SER HA H 55 4.258 4.258 4.394 -0.136 18374 9590 1 33 . 1 1 55 55 SER CA C 55 61.216 61.216 61.031 0.185 18374 9591 1 33 . 1 1 55 55 SER CB C 55 62.830 62.830 62.743 0.087 18374 9592 1 33 . 1 1 55 55 SER H H 55 8.228 8.228 8.084 0.144 18374 9593 1 33 . 1 1 56 56 CYS N N 56 122.602 122.602 120.089 2.513 18374 9594 1 33 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.250 -0.064 18374 9595 1 33 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.102 0.140 18374 9596 1 33 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.256 3.660 18374 9597 1 33 . 1 1 56 56 CYS H H 56 7.999 7.999 7.827 0.172 18374 9598 1 33 . 1 1 57 57 SER N N 57 115.430 115.430 115.107 0.323 18374 9599 1 33 . 1 1 57 57 SER HA H 57 4.266 4.266 4.467 -0.201 18374 9600 1 33 . 1 1 57 57 SER CA C 57 59.992 59.992 59.960 0.032 18374 9601 1 33 . 1 1 57 57 SER CB C 57 63.492 63.492 62.677 0.815 18374 9602 1 33 . 1 1 57 57 SER H H 57 7.938 7.938 8.215 -0.277 18374 9603 1 33 . 1 1 58 58 GLY N N 58 109.391 109.391 110.413 -1.022 18374 9604 1 33 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.038 0.388 18374 9605 1 33 . 1 1 58 58 GLY H H 58 8.013 8.013 7.785 0.228 18374 9606 1 33 . 1 1 59 59 ASP N N 59 120.345 120.345 120.745 -0.400 18374 9607 1 33 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.815 -0.224 18374 9608 1 33 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.361 0.931 18374 9609 1 33 . 1 1 59 59 ASP CB C 59 41.083 41.083 43.136 -2.053 18374 9610 1 33 . 1 1 59 59 ASP H H 59 8.130 8.130 8.314 -0.184 18374 9611 1 33 . 1 1 60 60 VAL N N 60 119.548 119.548 122.878 -3.330 18374 9612 1 33 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.990 -0.832 18374 9613 1 33 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.361 0.554 18374 9614 1 33 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.795 -1.280 18374 9615 1 33 . 1 1 60 60 VAL H H 60 8.072 8.072 8.581 -0.509 18374 9616 1 33 . 1 1 61 61 THR N N 61 121.407 121.407 121.886 -0.479 18374 9617 1 33 . 1 1 61 61 THR HA H 61 4.509 4.509 4.793 -0.284 18374 9618 1 33 . 1 1 61 61 THR CA C 61 59.848 59.848 59.306 0.542 18374 9619 1 33 . 1 1 61 61 THR CB C 61 69.602 69.602 69.211 0.391 18374 9620 1 33 . 1 1 61 61 THR H H 61 8.335 8.335 8.584 -0.249 18374 9621 1 33 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.430 -0.068 18374 9622 1 33 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.712 0.192 18374 9623 1 33 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.326 -0.377 18374 9624 1 33 . 1 1 63 63 ALA N N 63 125.923 125.923 127.103 -1.180 18374 9625 1 33 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.409 0.129 18374 9626 1 33 . 1 1 63 63 ALA CA C 63 50.268 50.268 51.007 -0.738 18374 9627 1 33 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.026 -1.326 18374 9628 1 33 . 1 1 63 63 ALA H H 63 8.368 8.368 8.325 0.043 18374 9629 1 33 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.435 -0.025 18374 9630 1 33 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.462 0.435 18374 9631 1 33 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.970 1.954 18374 9632 1 33 . 1 1 65 65 VAL N N 65 120.526 120.526 122.759 -2.233 18374 9633 1 33 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.098 -0.025 18374 9634 1 33 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.374 -0.048 18374 9635 1 33 . 1 1 65 65 VAL CB C 65 32.080 32.080 29.932 2.148 18374 9636 1 33 . 1 1 65 65 VAL H H 65 8.270 8.270 8.316 -0.046 18374 9637 1 34 . 1 1 2 2 ALA N N 2 123.688 123.688 125.264 -1.576 18374 9638 1 34 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.815 -0.517 18374 9639 1 34 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.314 0.396 18374 9640 1 34 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.763 -0.528 18374 9641 1 34 . 1 1 2 2 ALA H H 2 8.653 8.653 8.323 0.330 18374 9642 1 34 . 1 1 3 3 MET N N 3 119.289 119.289 122.392 -3.103 18374 9643 1 34 . 1 1 3 3 MET HA H 3 4.426 4.426 4.416 0.010 18374 9644 1 34 . 1 1 3 3 MET CA C 3 55.430 55.430 57.288 -1.858 18374 9645 1 34 . 1 1 3 3 MET CB C 3 32.532 32.532 33.539 -1.007 18374 9646 1 34 . 1 1 3 3 MET H H 3 8.545 8.545 8.651 -0.106 18374 9647 1 34 . 1 1 4 4 GLU N N 4 122.149 122.149 118.244 3.905 18374 9648 1 34 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.273 -0.029 18374 9649 1 34 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.166 -0.135 18374 9650 1 34 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.463 0.543 18374 9651 1 34 . 1 1 4 4 GLU H H 4 8.440 8.440 8.312 0.128 18374 9652 1 34 . 1 1 5 5 GLY N N 5 110.051 110.051 108.339 1.712 18374 9653 1 34 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.928 0.479 18374 9654 1 34 . 1 1 5 5 GLY H H 5 8.500 8.500 8.018 0.482 18374 9655 1 34 . 1 1 6 6 GLN N N 6 119.509 119.509 119.114 0.395 18374 9656 1 34 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.252 0.034 18374 9657 1 34 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.720 0.280 18374 9658 1 34 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.480 -0.272 18374 9659 1 34 . 1 1 6 6 GLN H H 6 8.242 8.242 8.248 -0.006 18374 9660 1 34 . 1 1 7 7 GLN N N 7 121.049 121.049 120.407 0.642 18374 9661 1 34 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.254 0.007 18374 9662 1 34 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.916 0.188 18374 9663 1 34 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.163 1.041 18374 9664 1 34 . 1 1 7 7 GLN H H 7 8.534 8.534 8.098 0.436 18374 9665 1 34 . 1 1 8 8 ASN N N 8 119.289 119.289 121.767 -2.478 18374 9666 1 34 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.664 -0.019 18374 9667 1 34 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.212 -0.105 18374 9668 1 34 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.891 -0.372 18374 9669 1 34 . 1 1 8 8 ASN H H 8 8.486 8.486 8.413 0.073 18374 9670 1 34 . 1 1 9 9 LEU N N 9 122.204 122.204 121.967 0.237 18374 9671 1 34 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.461 -0.170 18374 9672 1 34 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.594 0.122 18374 9673 1 34 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.201 -0.804 18374 9674 1 34 . 1 1 9 9 LEU H H 9 8.145 8.145 7.453 0.692 18374 9675 1 34 . 1 1 10 10 ALA N N 10 126.188 126.188 129.692 -3.504 18374 9676 1 34 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.515 0.017 18374 9677 1 34 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.591 -0.254 18374 9678 1 34 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.594 -0.801 18374 9679 1 34 . 1 1 10 10 ALA H H 10 8.324 8.324 8.384 -0.060 18374 9680 1 34 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.424 -0.060 18374 9681 1 34 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.712 1.196 18374 9682 1 34 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.056 1.812 18374 9683 1 34 . 1 1 12 12 GLY N N 12 108.951 108.951 110.099 -1.148 18374 9684 1 34 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.870 -0.649 18374 9685 1 34 . 1 1 12 12 GLY H H 12 8.501 8.501 8.564 -0.063 18374 9686 1 34 . 1 1 13 13 ALA N N 13 123.134 123.134 128.634 -5.500 18374 9687 1 34 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.397 -0.163 18374 9688 1 34 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.699 0.410 18374 9689 1 34 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.913 1.613 18374 9690 1 34 . 1 1 13 13 ALA H H 13 7.957 7.957 7.980 -0.023 18374 9691 1 34 . 1 1 14 14 ARG N N 14 116.759 116.759 121.281 -4.522 18374 9692 1 34 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.410 -0.291 18374 9693 1 34 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.914 -2.104 18374 9694 1 34 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.018 -1.565 18374 9695 1 34 . 1 1 14 14 ARG H H 14 7.990 7.990 7.749 0.241 18374 9696 1 34 . 1 1 15 15 CYS N N 15 123.688 123.688 125.879 -2.191 18374 9697 1 34 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.781 -0.764 18374 9698 1 34 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.540 0.570 18374 9699 1 34 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.704 4.353 18374 9700 1 34 . 1 1 15 15 CYS H H 15 7.646 7.646 8.622 -0.976 18374 9701 1 34 . 1 1 16 16 GLY N N 16 117.749 117.749 116.007 1.742 18374 9702 1 34 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.299 0.486 18374 9703 1 34 . 1 1 16 16 GLY H H 16 8.916 8.916 8.955 -0.039 18374 9704 1 34 . 1 1 17 17 VAL N N 17 122.602 122.602 119.795 2.807 18374 9705 1 34 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.911 0.103 18374 9706 1 34 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.386 0.645 18374 9707 1 34 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.123 0.717 18374 9708 1 34 . 1 1 17 17 VAL H H 17 8.856 8.856 7.964 0.892 18374 9709 1 34 . 1 1 18 18 CYS N N 18 115.430 115.430 113.114 2.316 18374 9710 1 34 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.808 0.118 18374 9711 1 34 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.847 -0.668 18374 9712 1 34 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.375 1.236 18374 9713 1 34 . 1 1 18 18 CYS H H 18 7.758 7.758 7.790 -0.032 18374 9714 1 34 . 1 1 19 19 GLY N N 19 113.040 113.040 111.021 2.019 18374 9715 1 34 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.064 1.293 18374 9716 1 34 . 1 1 19 19 GLY H H 19 8.029 8.029 8.493 -0.464 18374 9717 1 34 . 1 1 20 20 ASP N N 20 123.399 123.399 121.602 1.797 18374 9718 1 34 . 1 1 20 20 ASP HA H 20 5.007 5.007 5.008 -0.001 18374 9719 1 34 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.247 -0.733 18374 9720 1 34 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.008 1.534 18374 9721 1 34 . 1 1 20 20 ASP H H 20 8.722 8.722 7.599 1.123 18374 9722 1 34 . 1 1 21 21 GLY N N 21 111.371 111.371 108.331 3.040 18374 9723 1 34 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.137 -0.030 18374 9724 1 34 . 1 1 21 21 GLY H H 21 8.667 8.667 8.588 0.079 18374 9725 1 34 . 1 1 22 22 THR N N 22 118.220 118.220 116.319 1.901 18374 9726 1 34 . 1 1 22 22 THR HA H 22 3.979 3.979 4.259 -0.280 18374 9727 1 34 . 1 1 22 22 THR CA C 22 64.367 64.367 63.777 0.590 18374 9728 1 34 . 1 1 22 22 THR CB C 22 67.783 67.783 69.065 -1.282 18374 9729 1 34 . 1 1 22 22 THR H H 22 8.784 8.784 7.613 1.171 18374 9730 1 34 . 1 1 23 23 ASP N N 23 127.251 127.251 122.986 4.265 18374 9731 1 34 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.228 0.073 18374 9732 1 34 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.313 0.114 18374 9733 1 34 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.092 -1.053 18374 9734 1 34 . 1 1 23 23 ASP H H 23 9.376 9.376 8.792 0.584 18374 9735 1 34 . 1 1 24 24 VAL N N 24 111.371 111.371 117.319 -5.948 18374 9736 1 34 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.564 -1.004 18374 9737 1 34 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.025 0.691 18374 9738 1 34 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.490 -1.198 18374 9739 1 34 . 1 1 24 24 VAL H H 24 7.402 7.402 7.891 -0.489 18374 9740 1 34 . 1 1 25 25 LEU N N 25 123.908 123.908 126.663 -2.755 18374 9741 1 34 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.582 -0.243 18374 9742 1 34 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.407 -0.885 18374 9743 1 34 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.438 -0.995 18374 9744 1 34 . 1 1 25 25 LEU H H 25 8.328 8.328 8.670 -0.342 18374 9745 1 34 . 1 1 26 26 ARG N N 26 116.626 116.626 119.656 -3.030 18374 9746 1 34 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.395 -0.294 18374 9747 1 34 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.378 -1.723 18374 9748 1 34 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.295 -0.627 18374 9749 1 34 . 1 1 26 26 ARG H H 26 7.877 7.877 8.331 -0.454 18374 9750 1 34 . 1 1 27 27 CYS N N 27 126.328 126.328 125.548 0.780 18374 9751 1 34 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.942 -0.627 18374 9752 1 34 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.581 1.817 18374 9753 1 34 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.950 1.717 18374 9754 1 34 . 1 1 27 27 CYS H H 27 9.182 9.182 8.390 0.792 18374 9755 1 34 . 1 1 28 28 THR N N 28 122.470 122.470 120.525 1.945 18374 9756 1 34 . 1 1 28 28 THR HA H 28 4.166 4.166 4.348 -0.182 18374 9757 1 34 . 1 1 28 28 THR CA C 28 64.686 64.686 64.118 0.568 18374 9758 1 34 . 1 1 28 28 THR CB C 28 69.846 69.846 69.376 0.469 18374 9759 1 34 . 1 1 28 28 THR H H 28 8.956 8.956 9.175 -0.219 18374 9760 1 34 . 1 1 29 29 HIS N N 29 123.908 123.908 118.676 5.232 18374 9761 1 34 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.753 0.156 18374 9762 1 34 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.086 1.018 18374 9763 1 34 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.456 -0.911 18374 9764 1 34 . 1 1 29 29 HIS H H 29 9.464 9.464 8.265 1.199 18374 9765 1 34 . 1 1 30 30 CYS N N 30 119.946 119.946 116.917 3.029 18374 9766 1 34 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.776 0.035 18374 9767 1 34 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.832 2.258 18374 9768 1 34 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.791 2.107 18374 9769 1 34 . 1 1 30 30 CYS H H 30 8.710 8.710 7.702 1.008 18374 9770 1 34 . 1 1 31 31 ALA N N 31 120.477 120.477 124.113 -3.636 18374 9771 1 34 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.511 -0.227 18374 9772 1 34 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.930 2.560 18374 9773 1 34 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.940 -1.522 18374 9774 1 34 . 1 1 31 31 ALA H H 31 7.626 7.626 8.458 -0.832 18374 9775 1 34 . 1 1 32 32 ALA N N 32 125.524 125.524 126.216 -0.692 18374 9776 1 34 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.489 -0.243 18374 9777 1 34 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.697 1.143 18374 9778 1 34 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.555 -1.221 18374 9779 1 34 . 1 1 32 32 ALA H H 32 9.152 9.152 8.300 0.852 18374 9780 1 34 . 1 1 33 33 ALA N N 33 123.257 123.257 128.049 -4.792 18374 9781 1 34 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.817 -0.407 18374 9782 1 34 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.212 -0.406 18374 9783 1 34 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.074 -0.446 18374 9784 1 34 . 1 1 33 33 ALA H H 33 8.490 8.490 8.845 -0.355 18374 9785 1 34 . 1 1 34 34 PHE N N 34 118.220 118.220 119.887 -1.667 18374 9786 1 34 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.854 0.220 18374 9787 1 34 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.274 -0.512 18374 9788 1 34 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.769 -1.547 18374 9789 1 34 . 1 1 34 34 PHE H H 34 8.948 8.948 8.483 0.465 18374 9790 1 34 . 1 1 35 35 HIS N N 35 116.759 116.759 119.339 -2.580 18374 9791 1 34 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.925 -0.039 18374 9792 1 34 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.395 1.744 18374 9793 1 34 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.583 -0.560 18374 9794 1 34 . 1 1 35 35 HIS H H 35 7.932 7.932 8.085 -0.153 18374 9795 1 34 . 1 1 36 36 TRP N N 36 127.649 127.649 126.385 1.264 18374 9796 1 34 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.697 -0.259 18374 9797 1 34 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.162 0.211 18374 9798 1 34 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.958 -0.634 18374 9799 1 34 . 1 1 36 36 TRP H H 36 9.421 9.421 9.140 0.281 18374 9800 1 34 . 1 1 37 37 ARG N N 37 113.040 113.040 117.593 -4.553 18374 9801 1 34 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.204 0.200 18374 9802 1 34 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.539 -2.066 18374 9803 1 34 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.741 -0.574 18374 9804 1 34 . 1 1 37 37 ARG H H 37 9.075 9.075 8.677 0.398 18374 9805 1 34 . 1 1 38 38 CYS N N 38 116.493 116.493 115.134 1.359 18374 9806 1 34 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.449 -0.231 18374 9807 1 34 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.417 2.042 18374 9808 1 34 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.197 3.479 18374 9809 1 34 . 1 1 38 38 CYS H H 38 7.169 7.169 7.691 -0.522 18374 9810 1 34 . 1 1 39 39 HIS N N 39 118.220 118.220 116.721 1.499 18374 9811 1 34 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.281 -0.058 18374 9812 1 34 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.888 0.588 18374 9813 1 34 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.139 4.201 18374 9814 1 34 . 1 1 39 39 HIS H H 39 7.562 7.562 7.783 -0.221 18374 9815 1 34 . 1 1 40 40 PHE N N 40 117.157 117.157 116.596 0.561 18374 9816 1 34 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.875 -0.092 18374 9817 1 34 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.951 -2.292 18374 9818 1 34 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.360 0.447 18374 9819 1 34 . 1 1 40 40 PHE H H 40 8.282 8.282 8.170 0.112 18374 9820 1 34 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.588 -0.101 18374 9821 1 34 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.536 -0.317 18374 9822 1 34 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.332 0.882 18374 9823 1 34 . 1 1 42 42 ALA N N 42 123.001 123.001 121.048 1.953 18374 9824 1 34 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.378 -0.020 18374 9825 1 34 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.849 1.164 18374 9826 1 34 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.775 -0.134 18374 9827 1 34 . 1 1 42 42 ALA H H 42 8.635 8.635 8.163 0.472 18374 9828 1 34 . 1 1 43 43 GLY N N 43 108.291 108.291 108.092 0.199 18374 9829 1 34 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.841 0.625 18374 9830 1 34 . 1 1 43 43 GLY H H 43 8.529 8.529 7.838 0.691 18374 9831 1 34 . 1 1 44 44 THR N N 44 113.961 113.961 116.357 -2.396 18374 9832 1 34 . 1 1 44 44 THR HA H 44 4.424 4.424 4.377 0.047 18374 9833 1 34 . 1 1 44 44 THR CA C 44 62.074 62.074 63.175 -1.101 18374 9834 1 34 . 1 1 44 44 THR CB C 44 70.259 70.259 69.564 0.695 18374 9835 1 34 . 1 1 44 44 THR H H 44 7.971 7.971 7.713 0.258 18374 9836 1 34 . 1 1 45 45 SER N N 45 120.467 120.467 120.824 -0.357 18374 9837 1 34 . 1 1 45 45 SER HA H 45 4.280 4.280 4.575 -0.295 18374 9838 1 34 . 1 1 45 45 SER CA C 45 58.274 58.274 58.072 0.202 18374 9839 1 34 . 1 1 45 45 SER CB C 45 63.906 63.906 63.594 0.312 18374 9840 1 34 . 1 1 45 45 SER H H 45 8.644 8.644 8.554 0.090 18374 9841 1 34 . 1 1 46 46 ARG N N 46 124.196 124.196 127.034 -2.838 18374 9842 1 34 . 1 1 46 46 ARG HA H 46 3.920 3.920 2.974 0.946 18374 9843 1 34 . 1 1 46 46 ARG CA C 46 53.152 53.152 54.081 -0.929 18374 9844 1 34 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.028 -0.126 18374 9845 1 34 . 1 1 46 46 ARG H H 46 8.197 8.197 8.351 -0.154 18374 9846 1 34 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.384 -0.086 18374 9847 1 34 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.383 0.435 18374 9848 1 34 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.279 -0.092 18374 9849 1 34 . 1 1 48 48 GLY N N 48 108.071 108.071 107.868 0.203 18374 9850 1 34 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.550 0.130 18374 9851 1 34 . 1 1 48 48 GLY H H 48 8.492 8.492 8.572 -0.080 18374 9852 1 34 . 1 1 49 49 THR N N 49 111.151 111.151 112.267 -1.116 18374 9853 1 34 . 1 1 49 49 THR HA H 49 4.377 4.377 4.425 -0.048 18374 9854 1 34 . 1 1 49 49 THR CA C 49 60.690 60.690 60.741 -0.051 18374 9855 1 34 . 1 1 49 49 THR CB C 49 70.332 70.332 69.197 1.135 18374 9856 1 34 . 1 1 49 49 THR H H 49 7.669 7.669 7.733 -0.064 18374 9857 1 34 . 1 1 50 50 GLY N N 50 110.491 110.491 109.039 1.452 18374 9858 1 34 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.708 1.473 18374 9859 1 34 . 1 1 50 50 GLY H H 50 8.459 8.459 7.242 1.217 18374 9860 1 34 . 1 1 51 51 LEU N N 51 121.407 121.407 124.056 -2.649 18374 9861 1 34 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.555 -0.273 18374 9862 1 34 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.088 2.280 18374 9863 1 34 . 1 1 51 51 LEU CB C 51 42.819 42.819 43.057 -0.238 18374 9864 1 34 . 1 1 51 51 LEU H H 51 8.248 8.248 8.506 -0.258 18374 9865 1 34 . 1 1 52 52 ARG N N 52 124.997 124.997 125.690 -0.693 18374 9866 1 34 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.950 0.897 18374 9867 1 34 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.356 -1.225 18374 9868 1 34 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.465 1.520 18374 9869 1 34 . 1 1 52 52 ARG H H 52 8.639 8.639 8.629 0.010 18374 9870 1 34 . 1 1 53 53 CYS N N 53 120.743 120.743 120.214 0.529 18374 9871 1 34 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.640 -1.147 18374 9872 1 34 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.237 0.967 18374 9873 1 34 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.826 0.953 18374 9874 1 34 . 1 1 53 53 CYS H H 53 8.933 8.933 8.732 0.201 18374 9875 1 34 . 1 1 54 54 ARG N N 54 121.407 121.407 119.598 1.809 18374 9876 1 34 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.965 -0.155 18374 9877 1 34 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.527 -0.140 18374 9878 1 34 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.787 -0.904 18374 9879 1 34 . 1 1 54 54 ARG H H 54 10.380 10.380 8.508 1.872 18374 9880 1 34 . 1 1 55 55 SER N N 55 117.300 117.300 115.282 2.018 18374 9881 1 34 . 1 1 55 55 SER HA H 55 4.258 4.258 4.265 -0.007 18374 9882 1 34 . 1 1 55 55 SER CA C 55 61.216 61.216 61.514 -0.298 18374 9883 1 34 . 1 1 55 55 SER CB C 55 62.830 62.830 63.200 -0.370 18374 9884 1 34 . 1 1 55 55 SER H H 55 8.228 8.228 8.244 -0.016 18374 9885 1 34 . 1 1 56 56 CYS N N 56 122.602 122.602 116.944 5.658 18374 9886 1 34 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.603 -0.417 18374 9887 1 34 . 1 1 56 56 CYS CA C 56 61.242 61.242 58.732 2.510 18374 9888 1 34 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.596 3.321 18374 9889 1 34 . 1 1 56 56 CYS H H 56 7.999 7.999 8.125 -0.126 18374 9890 1 34 . 1 1 57 57 SER N N 57 115.430 115.430 116.552 -1.122 18374 9891 1 34 . 1 1 57 57 SER HA H 57 4.266 4.266 4.541 -0.275 18374 9892 1 34 . 1 1 57 57 SER CA C 57 59.992 59.992 58.490 1.502 18374 9893 1 34 . 1 1 57 57 SER CB C 57 63.492 63.492 62.805 0.687 18374 9894 1 34 . 1 1 57 57 SER H H 57 7.938 7.938 8.024 -0.086 18374 9895 1 34 . 1 1 58 58 GLY N N 58 109.391 109.391 109.656 -0.265 18374 9896 1 34 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.470 -0.044 18374 9897 1 34 . 1 1 58 58 GLY H H 58 8.013 8.013 7.523 0.490 18374 9898 1 34 . 1 1 59 59 ASP N N 59 120.345 120.345 123.424 -3.079 18374 9899 1 34 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.743 -0.152 18374 9900 1 34 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.258 0.034 18374 9901 1 34 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.186 0.897 18374 9902 1 34 . 1 1 59 59 ASP H H 59 8.130 8.130 8.471 -0.341 18374 9903 1 34 . 1 1 60 60 VAL N N 60 119.548 119.548 122.883 -3.335 18374 9904 1 34 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.201 -0.043 18374 9905 1 34 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.125 -0.210 18374 9906 1 34 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.510 0.005 18374 9907 1 34 . 1 1 60 60 VAL H H 60 8.072 8.072 7.772 0.300 18374 9908 1 34 . 1 1 61 61 THR N N 61 121.407 121.407 123.803 -2.396 18374 9909 1 34 . 1 1 61 61 THR HA H 61 4.509 4.509 4.537 -0.028 18374 9910 1 34 . 1 1 61 61 THR CA C 61 59.848 59.848 59.985 -0.137 18374 9911 1 34 . 1 1 61 61 THR CB C 61 69.602 69.602 69.526 0.076 18374 9912 1 34 . 1 1 61 61 THR H H 61 8.335 8.335 8.498 -0.163 18374 9913 1 34 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.443 -0.081 18374 9914 1 34 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.554 0.349 18374 9915 1 34 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.063 -0.114 18374 9916 1 34 . 1 1 63 63 ALA N N 63 125.923 125.923 126.537 -0.614 18374 9917 1 34 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.365 0.173 18374 9918 1 34 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.727 -0.459 18374 9919 1 34 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.939 -1.239 18374 9920 1 34 . 1 1 63 63 ALA H H 63 8.368 8.368 8.263 0.105 18374 9921 1 34 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.314 0.096 18374 9922 1 34 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.952 -0.055 18374 9923 1 34 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.090 0.834 18374 9924 1 34 . 1 1 65 65 VAL N N 65 120.526 120.526 123.659 -3.133 18374 9925 1 34 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.307 -0.234 18374 9926 1 34 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.709 0.617 18374 9927 1 34 . 1 1 65 65 VAL CB C 65 32.080 32.080 34.111 -2.031 18374 9928 1 34 . 1 1 65 65 VAL H H 65 8.270 8.270 8.148 0.122 18374 9929 1 35 . 1 1 2 2 ALA N N 2 123.688 123.688 121.856 1.832 18374 9930 1 35 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.386 -0.088 18374 9931 1 35 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.442 -0.732 18374 9932 1 35 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.214 0.021 18374 9933 1 35 . 1 1 2 2 ALA H H 2 8.653 8.653 8.261 0.392 18374 9934 1 35 . 1 1 3 3 MET N N 3 119.289 119.289 119.355 -0.066 18374 9935 1 35 . 1 1 3 3 MET HA H 3 4.426 4.426 4.628 -0.202 18374 9936 1 35 . 1 1 3 3 MET CA C 3 55.430 55.430 54.493 0.937 18374 9937 1 35 . 1 1 3 3 MET CB C 3 32.532 32.532 30.560 1.972 18374 9938 1 35 . 1 1 3 3 MET H H 3 8.545 8.545 7.931 0.614 18374 9939 1 35 . 1 1 4 4 GLU N N 4 122.149 122.149 122.333 -0.184 18374 9940 1 35 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.338 -0.094 18374 9941 1 35 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.531 0.500 18374 9942 1 35 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.111 -0.105 18374 9943 1 35 . 1 1 4 4 GLU H H 4 8.440 8.440 8.285 0.155 18374 9944 1 35 . 1 1 5 5 GLY N N 5 110.051 110.051 108.071 1.980 18374 9945 1 35 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.883 0.525 18374 9946 1 35 . 1 1 5 5 GLY H H 5 8.500 8.500 8.120 0.380 18374 9947 1 35 . 1 1 6 6 GLN N N 6 119.509 119.509 124.274 -4.765 18374 9948 1 35 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.065 0.221 18374 9949 1 35 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.378 -0.378 18374 9950 1 35 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.906 0.302 18374 9951 1 35 . 1 1 6 6 GLN H H 6 8.242 8.242 8.542 -0.300 18374 9952 1 35 . 1 1 7 7 GLN N N 7 121.049 121.049 119.790 1.259 18374 9953 1 35 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.175 0.086 18374 9954 1 35 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.918 0.186 18374 9955 1 35 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.621 1.583 18374 9956 1 35 . 1 1 7 7 GLN H H 7 8.534 8.534 8.475 0.059 18374 9957 1 35 . 1 1 8 8 ASN N N 8 119.289 119.289 118.319 0.970 18374 9958 1 35 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.651 -0.006 18374 9959 1 35 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.022 0.085 18374 9960 1 35 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.033 -0.514 18374 9961 1 35 . 1 1 8 8 ASN H H 8 8.486 8.486 8.379 0.107 18374 9962 1 35 . 1 1 9 9 LEU N N 9 122.204 122.204 124.345 -2.141 18374 9963 1 35 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.531 -0.240 18374 9964 1 35 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.144 0.572 18374 9965 1 35 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.319 2.078 18374 9966 1 35 . 1 1 9 9 LEU H H 9 8.145 8.145 8.634 -0.489 18374 9967 1 35 . 1 1 10 10 ALA N N 10 126.188 126.188 127.045 -0.857 18374 9968 1 35 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.647 -0.115 18374 9969 1 35 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.446 -0.109 18374 9970 1 35 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.953 -1.159 18374 9971 1 35 . 1 1 10 10 ALA H H 10 8.324 8.324 7.788 0.536 18374 9972 1 35 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.340 0.024 18374 9973 1 35 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.301 0.607 18374 9974 1 35 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.200 -0.331 18374 9975 1 35 . 1 1 12 12 GLY N N 12 108.951 108.951 106.208 2.743 18374 9976 1 35 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.283 0.938 18374 9977 1 35 . 1 1 12 12 GLY H H 12 8.501 8.501 7.841 0.660 18374 9978 1 35 . 1 1 13 13 ALA N N 13 123.134 123.134 124.243 -1.109 18374 9979 1 35 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.507 -0.273 18374 9980 1 35 . 1 1 13 13 ALA CA C 13 52.109 52.109 50.906 1.203 18374 9981 1 35 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.468 1.058 18374 9982 1 35 . 1 1 13 13 ALA H H 13 7.957 7.957 8.395 -0.438 18374 9983 1 35 . 1 1 14 14 ARG N N 14 116.759 116.759 121.624 -4.865 18374 9984 1 35 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.607 -0.488 18374 9985 1 35 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.141 -1.331 18374 9986 1 35 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.898 -1.445 18374 9987 1 35 . 1 1 14 14 ARG H H 14 7.990 7.990 8.100 -0.110 18374 9988 1 35 . 1 1 15 15 CYS N N 15 123.688 123.688 126.178 -2.490 18374 9989 1 35 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.778 -0.761 18374 9990 1 35 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.481 0.629 18374 9991 1 35 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.182 3.875 18374 9992 1 35 . 1 1 15 15 CYS H H 15 7.646 7.646 8.613 -0.967 18374 9993 1 35 . 1 1 16 16 GLY N N 16 117.749 117.749 116.820 0.929 18374 9994 1 35 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.041 -0.256 18374 9995 1 35 . 1 1 16 16 GLY H H 16 8.916 8.916 9.134 -0.218 18374 9996 1 35 . 1 1 17 17 VAL N N 17 122.602 122.602 120.490 2.112 18374 9997 1 35 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.029 -0.015 18374 9998 1 35 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.681 0.350 18374 9999 1 35 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.292 0.548 18374 10000 1 35 . 1 1 17 17 VAL H H 17 8.856 8.856 7.814 1.042 18374 10001 1 35 . 1 1 18 18 CYS N N 18 115.430 115.430 117.668 -2.238 18374 10002 1 35 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.770 0.156 18374 10003 1 35 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.286 -1.107 18374 10004 1 35 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.164 2.447 18374 10005 1 35 . 1 1 18 18 CYS H H 18 7.758 7.758 7.975 -0.217 18374 10006 1 35 . 1 1 19 19 GLY N N 19 113.040 113.040 110.427 2.613 18374 10007 1 35 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.735 0.622 18374 10008 1 35 . 1 1 19 19 GLY H H 19 8.029 8.029 8.714 -0.685 18374 10009 1 35 . 1 1 20 20 ASP N N 20 123.399 123.399 119.108 4.291 18374 10010 1 35 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.836 0.171 18374 10011 1 35 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.950 0.564 18374 10012 1 35 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.170 0.372 18374 10013 1 35 . 1 1 20 20 ASP H H 20 8.722 8.722 7.463 1.259 18374 10014 1 35 . 1 1 21 21 GLY N N 21 111.371 111.371 110.009 1.362 18374 10015 1 35 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.190 0.917 18374 10016 1 35 . 1 1 21 21 GLY H H 21 8.667 8.667 8.738 -0.071 18374 10017 1 35 . 1 1 22 22 THR N N 22 118.220 118.220 119.375 -1.155 18374 10018 1 35 . 1 1 22 22 THR HA H 22 3.979 3.979 4.234 -0.255 18374 10019 1 35 . 1 1 22 22 THR CA C 22 64.367 64.367 63.727 0.640 18374 10020 1 35 . 1 1 22 22 THR CB C 22 67.783 67.783 69.116 -1.333 18374 10021 1 35 . 1 1 22 22 THR H H 22 8.784 8.784 8.769 0.015 18374 10022 1 35 . 1 1 23 23 ASP N N 23 127.251 127.251 123.372 3.879 18374 10023 1 35 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.292 0.009 18374 10024 1 35 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.933 0.494 18374 10025 1 35 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.456 -0.417 18374 10026 1 35 . 1 1 23 23 ASP H H 23 9.376 9.376 8.973 0.403 18374 10027 1 35 . 1 1 24 24 VAL N N 24 111.371 111.371 117.537 -6.166 18374 10028 1 35 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.172 -0.612 18374 10029 1 35 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.264 0.452 18374 10030 1 35 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.109 -0.817 18374 10031 1 35 . 1 1 24 24 VAL H H 24 7.402 7.402 7.878 -0.476 18374 10032 1 35 . 1 1 25 25 LEU N N 25 123.908 123.908 128.960 -5.052 18374 10033 1 35 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.433 -0.094 18374 10034 1 35 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.278 -1.756 18374 10035 1 35 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.480 -0.038 18374 10036 1 35 . 1 1 25 25 LEU H H 25 8.328 8.328 8.759 -0.431 18374 10037 1 35 . 1 1 26 26 ARG N N 26 116.626 116.626 119.502 -2.876 18374 10038 1 35 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.376 -0.275 18374 10039 1 35 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.377 -0.722 18374 10040 1 35 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.083 -0.415 18374 10041 1 35 . 1 1 26 26 ARG H H 26 7.877 7.877 8.037 -0.160 18374 10042 1 35 . 1 1 27 27 CYS N N 27 126.328 126.328 122.397 3.931 18374 10043 1 35 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.855 -0.540 18374 10044 1 35 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.384 2.014 18374 10045 1 35 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.251 2.416 18374 10046 1 35 . 1 1 27 27 CYS H H 27 9.182 9.182 8.496 0.686 18374 10047 1 35 . 1 1 28 28 THR N N 28 122.470 122.470 121.497 0.973 18374 10048 1 35 . 1 1 28 28 THR HA H 28 4.166 4.166 4.313 -0.147 18374 10049 1 35 . 1 1 28 28 THR CA C 28 64.686 64.686 63.908 0.778 18374 10050 1 35 . 1 1 28 28 THR CB C 28 69.846 69.846 69.248 0.598 18374 10051 1 35 . 1 1 28 28 THR H H 28 8.956 8.956 9.076 -0.120 18374 10052 1 35 . 1 1 29 29 HIS N N 29 123.908 123.908 119.059 4.849 18374 10053 1 35 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.636 0.273 18374 10054 1 35 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.167 0.937 18374 10055 1 35 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.381 -0.836 18374 10056 1 35 . 1 1 29 29 HIS H H 29 9.464 9.464 8.233 1.231 18374 10057 1 35 . 1 1 30 30 CYS N N 30 119.946 119.946 114.914 5.032 18374 10058 1 35 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.764 0.047 18374 10059 1 35 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.616 2.474 18374 10060 1 35 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.564 2.334 18374 10061 1 35 . 1 1 30 30 CYS H H 30 8.710 8.710 7.764 0.946 18374 10062 1 35 . 1 1 31 31 ALA N N 31 120.477 120.477 124.766 -4.289 18374 10063 1 35 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.508 -0.224 18374 10064 1 35 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.878 2.612 18374 10065 1 35 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.896 -1.478 18374 10066 1 35 . 1 1 31 31 ALA H H 31 7.626 7.626 8.334 -0.708 18374 10067 1 35 . 1 1 32 32 ALA N N 32 125.524 125.524 125.271 0.253 18374 10068 1 35 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.563 -0.317 18374 10069 1 35 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.340 1.500 18374 10070 1 35 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.276 -1.942 18374 10071 1 35 . 1 1 32 32 ALA H H 32 9.152 9.152 8.342 0.810 18374 10072 1 35 . 1 1 33 33 ALA N N 33 123.257 123.257 125.112 -1.855 18374 10073 1 35 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.748 -0.338 18374 10074 1 35 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.352 -0.546 18374 10075 1 35 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.682 -1.054 18374 10076 1 35 . 1 1 33 33 ALA H H 33 8.490 8.490 8.660 -0.170 18374 10077 1 35 . 1 1 34 34 PHE N N 34 118.220 118.220 120.199 -1.979 18374 10078 1 35 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.871 0.203 18374 10079 1 35 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.629 -0.867 18374 10080 1 35 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.992 -1.770 18374 10081 1 35 . 1 1 34 34 PHE H H 34 8.948 8.948 8.329 0.619 18374 10082 1 35 . 1 1 35 35 HIS N N 35 116.759 116.759 120.205 -3.446 18374 10083 1 35 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.930 -0.044 18374 10084 1 35 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.567 1.571 18374 10085 1 35 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.629 0.394 18374 10086 1 35 . 1 1 35 35 HIS H H 35 7.932 7.932 8.114 -0.182 18374 10087 1 35 . 1 1 36 36 TRP N N 36 127.649 127.649 126.948 0.701 18374 10088 1 35 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.560 -0.122 18374 10089 1 35 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.046 0.327 18374 10090 1 35 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.790 -0.466 18374 10091 1 35 . 1 1 36 36 TRP H H 36 9.421 9.421 9.210 0.211 18374 10092 1 35 . 1 1 37 37 ARG N N 37 113.040 113.040 116.461 -3.421 18374 10093 1 35 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.514 -0.110 18374 10094 1 35 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.272 -0.799 18374 10095 1 35 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.652 -0.485 18374 10096 1 35 . 1 1 37 37 ARG H H 37 9.075 9.075 8.631 0.444 18374 10097 1 35 . 1 1 38 38 CYS N N 38 116.493 116.493 115.869 0.624 18374 10098 1 35 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.566 -0.348 18374 10099 1 35 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.932 2.527 18374 10100 1 35 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.232 2.444 18374 10101 1 35 . 1 1 38 38 CYS H H 38 7.169 7.169 8.067 -0.898 18374 10102 1 35 . 1 1 39 39 HIS N N 39 118.220 118.220 116.546 1.674 18374 10103 1 35 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.448 -0.225 18374 10104 1 35 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.737 0.739 18374 10105 1 35 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.811 3.529 18374 10106 1 35 . 1 1 39 39 HIS H H 39 7.562 7.562 7.760 -0.198 18374 10107 1 35 . 1 1 40 40 PHE N N 40 117.157 117.157 117.513 -0.356 18374 10108 1 35 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.722 0.061 18374 10109 1 35 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.468 -2.808 18374 10110 1 35 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.205 -1.398 18374 10111 1 35 . 1 1 40 40 PHE H H 40 8.282 8.282 8.376 -0.094 18374 10112 1 35 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.471 0.016 18374 10113 1 35 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.765 0.454 18374 10114 1 35 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.486 -0.271 18374 10115 1 35 . 1 1 42 42 ALA N N 42 123.001 123.001 122.851 0.150 18374 10116 1 35 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.206 0.152 18374 10117 1 35 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.827 -0.814 18374 10118 1 35 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.604 0.037 18374 10119 1 35 . 1 1 42 42 ALA H H 42 8.635 8.635 8.538 0.097 18374 10120 1 35 . 1 1 43 43 GLY N N 43 108.291 108.291 105.199 3.092 18374 10121 1 35 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.979 0.487 18374 10122 1 35 . 1 1 43 43 GLY H H 43 8.529 8.529 8.126 0.403 18374 10123 1 35 . 1 1 44 44 THR N N 44 113.961 113.961 118.526 -4.565 18374 10124 1 35 . 1 1 44 44 THR HA H 44 4.424 4.424 4.561 -0.137 18374 10125 1 35 . 1 1 44 44 THR CA C 44 62.074 62.074 62.130 -0.056 18374 10126 1 35 . 1 1 44 44 THR CB C 44 70.259 70.259 69.976 0.283 18374 10127 1 35 . 1 1 44 44 THR H H 44 7.971 7.971 7.868 0.103 18374 10128 1 35 . 1 1 45 45 SER N N 45 120.467 120.467 119.697 0.770 18374 10129 1 35 . 1 1 45 45 SER HA H 45 4.280 4.280 4.595 -0.315 18374 10130 1 35 . 1 1 45 45 SER CA C 45 58.274 58.274 57.484 0.789 18374 10131 1 35 . 1 1 45 45 SER CB C 45 63.906 63.906 63.885 0.021 18374 10132 1 35 . 1 1 45 45 SER H H 45 8.644 8.644 8.730 -0.086 18374 10133 1 35 . 1 1 46 46 ARG N N 46 124.196 124.196 126.423 -2.227 18374 10134 1 35 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.115 0.805 18374 10135 1 35 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.333 -0.181 18374 10136 1 35 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.385 0.517 18374 10137 1 35 . 1 1 46 46 ARG H H 46 8.197 8.197 8.172 0.025 18374 10138 1 35 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.265 0.033 18374 10139 1 35 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.786 0.032 18374 10140 1 35 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.463 -0.277 18374 10141 1 35 . 1 1 48 48 GLY N N 48 108.071 108.071 108.586 -0.515 18374 10142 1 35 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.053 -0.374 18374 10143 1 35 . 1 1 48 48 GLY H H 48 8.492 8.492 8.443 0.049 18374 10144 1 35 . 1 1 49 49 THR N N 49 111.151 111.151 113.391 -2.240 18374 10145 1 35 . 1 1 49 49 THR HA H 49 4.377 4.377 4.411 -0.034 18374 10146 1 35 . 1 1 49 49 THR CA C 49 60.690 60.690 61.607 -0.917 18374 10147 1 35 . 1 1 49 49 THR CB C 49 70.332 70.332 70.145 0.187 18374 10148 1 35 . 1 1 49 49 THR H H 49 7.669 7.669 7.405 0.264 18374 10149 1 35 . 1 1 50 50 GLY N N 50 110.491 110.491 116.590 -6.099 18374 10150 1 35 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.992 1.190 18374 10151 1 35 . 1 1 50 50 GLY H H 50 8.459 8.459 8.379 0.080 18374 10152 1 35 . 1 1 51 51 LEU N N 51 121.407 121.407 120.249 1.158 18374 10153 1 35 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.289 -0.007 18374 10154 1 35 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.146 1.222 18374 10155 1 35 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.992 0.827 18374 10156 1 35 . 1 1 51 51 LEU H H 51 8.248 8.248 8.126 0.122 18374 10157 1 35 . 1 1 52 52 ARG N N 52 124.997 124.997 126.334 -1.337 18374 10158 1 35 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.730 1.117 18374 10159 1 35 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.809 -0.678 18374 10160 1 35 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.794 2.191 18374 10161 1 35 . 1 1 52 52 ARG H H 52 8.639 8.639 8.396 0.243 18374 10162 1 35 . 1 1 53 53 CYS N N 53 120.743 120.743 121.152 -0.409 18374 10163 1 35 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.505 -1.012 18374 10164 1 35 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.298 -0.094 18374 10165 1 35 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.234 0.545 18374 10166 1 35 . 1 1 53 53 CYS H H 53 8.933 8.933 8.454 0.479 18374 10167 1 35 . 1 1 54 54 ARG N N 54 121.407 121.407 121.723 -0.316 18374 10168 1 35 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.907 -0.097 18374 10169 1 35 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.174 -0.787 18374 10170 1 35 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.010 -1.127 18374 10171 1 35 . 1 1 54 54 ARG H H 54 10.380 10.380 8.375 2.005 18374 10172 1 35 . 1 1 55 55 SER N N 55 117.300 117.300 115.607 1.693 18374 10173 1 35 . 1 1 55 55 SER HA H 55 4.258 4.258 4.290 -0.032 18374 10174 1 35 . 1 1 55 55 SER CA C 55 61.216 61.216 60.956 0.260 18374 10175 1 35 . 1 1 55 55 SER CB C 55 62.830 62.830 62.675 0.155 18374 10176 1 35 . 1 1 55 55 SER H H 55 8.228 8.228 8.422 -0.194 18374 10177 1 35 . 1 1 56 56 CYS N N 56 122.602 122.602 119.803 2.799 18374 10178 1 35 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.282 -0.096 18374 10179 1 35 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.328 -0.086 18374 10180 1 35 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.943 2.973 18374 10181 1 35 . 1 1 56 56 CYS H H 56 7.999 7.999 7.699 0.300 18374 10182 1 35 . 1 1 57 57 SER N N 57 115.430 115.430 114.896 0.534 18374 10183 1 35 . 1 1 57 57 SER HA H 57 4.266 4.266 4.375 -0.109 18374 10184 1 35 . 1 1 57 57 SER CA C 57 59.992 59.992 59.750 0.242 18374 10185 1 35 . 1 1 57 57 SER CB C 57 63.492 63.492 62.958 0.534 18374 10186 1 35 . 1 1 57 57 SER H H 57 7.938 7.938 8.632 -0.694 18374 10187 1 35 . 1 1 58 58 GLY N N 58 109.391 109.391 109.477 -0.086 18374 10188 1 35 . 1 1 58 58 GLY CA C 58 45.426 45.426 43.895 1.531 18374 10189 1 35 . 1 1 58 58 GLY H H 58 8.013 8.013 7.397 0.616 18374 10190 1 35 . 1 1 59 59 ASP N N 59 120.345 120.345 120.324 0.021 18374 10191 1 35 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.843 -0.252 18374 10192 1 35 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.691 0.601 18374 10193 1 35 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.619 -1.536 18374 10194 1 35 . 1 1 59 59 ASP H H 59 8.130 8.130 8.385 -0.255 18374 10195 1 35 . 1 1 60 60 VAL N N 60 119.548 119.548 122.490 -2.942 18374 10196 1 35 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.341 -0.183 18374 10197 1 35 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.811 0.104 18374 10198 1 35 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.514 0.001 18374 10199 1 35 . 1 1 60 60 VAL H H 60 8.072 8.072 8.429 -0.357 18374 10200 1 35 . 1 1 61 61 THR N N 61 121.407 121.407 124.935 -3.528 18374 10201 1 35 . 1 1 61 61 THR HA H 61 4.509 4.509 4.718 -0.209 18374 10202 1 35 . 1 1 61 61 THR CA C 61 59.848 59.848 60.297 -0.449 18374 10203 1 35 . 1 1 61 61 THR CB C 61 69.602 69.602 69.269 0.333 18374 10204 1 35 . 1 1 61 61 THR H H 61 8.335 8.335 8.328 0.007 18374 10205 1 35 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.533 -0.171 18374 10206 1 35 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.813 0.090 18374 10207 1 35 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.566 -0.617 18374 10208 1 35 . 1 1 63 63 ALA N N 63 125.923 125.923 126.337 -0.414 18374 10209 1 35 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.541 -0.003 18374 10210 1 35 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.114 0.154 18374 10211 1 35 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.085 -1.385 18374 10212 1 35 . 1 1 63 63 ALA H H 63 8.368 8.368 8.307 0.061 18374 10213 1 35 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.488 -0.078 18374 10214 1 35 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.649 0.248 18374 10215 1 35 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.964 1.960 18374 10216 1 35 . 1 1 65 65 VAL N N 65 120.526 120.526 118.255 2.271 18374 10217 1 35 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.350 -0.277 18374 10218 1 35 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.492 0.834 18374 10219 1 35 . 1 1 65 65 VAL CB C 65 32.080 32.080 30.716 1.364 18374 10220 1 35 . 1 1 65 65 VAL H H 65 8.270 8.270 8.040 0.230 18374 10221 1 36 . 1 1 2 2 ALA N N 2 123.688 123.688 126.145 -2.457 18374 10222 1 36 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.428 -0.130 18374 10223 1 36 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.730 0.980 18374 10224 1 36 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.411 -0.176 18374 10225 1 36 . 1 1 2 2 ALA H H 2 8.653 8.653 8.509 0.144 18374 10226 1 36 . 1 1 3 3 MET N N 3 119.289 119.289 121.391 -2.102 18374 10227 1 36 . 1 1 3 3 MET HA H 3 4.426 4.426 4.404 0.022 18374 10228 1 36 . 1 1 3 3 MET CA C 3 55.430 55.430 55.570 -0.140 18374 10229 1 36 . 1 1 3 3 MET CB C 3 32.532 32.532 31.865 0.667 18374 10230 1 36 . 1 1 3 3 MET H H 3 8.545 8.545 7.873 0.672 18374 10231 1 36 . 1 1 4 4 GLU N N 4 122.149 122.149 123.559 -1.410 18374 10232 1 36 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.680 -0.436 18374 10233 1 36 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.535 1.496 18374 10234 1 36 . 1 1 4 4 GLU CB C 4 30.006 30.006 31.838 -1.833 18374 10235 1 36 . 1 1 4 4 GLU H H 4 8.440 8.440 8.104 0.336 18374 10236 1 36 . 1 1 5 5 GLY N N 5 110.051 110.051 107.258 2.793 18374 10237 1 36 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.149 0.259 18374 10238 1 36 . 1 1 5 5 GLY H H 5 8.500 8.500 8.110 0.390 18374 10239 1 36 . 1 1 6 6 GLN N N 6 119.509 119.509 118.393 1.116 18374 10240 1 36 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.387 -0.101 18374 10241 1 36 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.449 -0.449 18374 10242 1 36 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.954 -0.746 18374 10243 1 36 . 1 1 6 6 GLN H H 6 8.242 8.242 8.916 -0.674 18374 10244 1 36 . 1 1 7 7 GLN N N 7 121.049 121.049 121.437 -0.388 18374 10245 1 36 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.571 -0.310 18374 10246 1 36 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.732 1.372 18374 10247 1 36 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.604 1.600 18374 10248 1 36 . 1 1 7 7 GLN H H 7 8.534 8.534 8.486 0.048 18374 10249 1 36 . 1 1 8 8 ASN N N 8 119.289 119.289 122.373 -3.084 18374 10250 1 36 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.773 -0.128 18374 10251 1 36 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.803 0.304 18374 10252 1 36 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.801 0.718 18374 10253 1 36 . 1 1 8 8 ASN H H 8 8.486 8.486 8.515 -0.029 18374 10254 1 36 . 1 1 9 9 LEU N N 9 122.204 122.204 122.657 -0.453 18374 10255 1 36 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.402 -0.111 18374 10256 1 36 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.456 1.260 18374 10257 1 36 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.926 1.471 18374 10258 1 36 . 1 1 9 9 LEU H H 9 8.145 8.145 7.611 0.534 18374 10259 1 36 . 1 1 10 10 ALA N N 10 126.188 126.188 130.178 -3.990 18374 10260 1 36 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.451 0.081 18374 10261 1 36 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.651 -0.313 18374 10262 1 36 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.713 -0.920 18374 10263 1 36 . 1 1 10 10 ALA H H 10 8.324 8.324 8.314 0.010 18374 10264 1 36 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.372 -0.008 18374 10265 1 36 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.353 0.555 18374 10266 1 36 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.227 1.641 18374 10267 1 36 . 1 1 12 12 GLY N N 12 108.951 108.951 110.356 -1.405 18374 10268 1 36 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.384 -0.163 18374 10269 1 36 . 1 1 12 12 GLY H H 12 8.501 8.501 7.836 0.665 18374 10270 1 36 . 1 1 13 13 ALA N N 13 123.134 123.134 128.497 -5.363 18374 10271 1 36 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.484 -0.250 18374 10272 1 36 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.101 0.008 18374 10273 1 36 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.713 0.812 18374 10274 1 36 . 1 1 13 13 ALA H H 13 7.957 7.957 8.608 -0.651 18374 10275 1 36 . 1 1 14 14 ARG N N 14 116.759 116.759 121.898 -5.139 18374 10276 1 36 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.610 -0.491 18374 10277 1 36 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.508 -0.698 18374 10278 1 36 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.442 -1.989 18374 10279 1 36 . 1 1 14 14 ARG H H 14 7.990 7.990 7.937 0.053 18374 10280 1 36 . 1 1 15 15 CYS N N 15 123.688 123.688 123.333 0.355 18374 10281 1 36 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.501 -0.484 18374 10282 1 36 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.992 0.118 18374 10283 1 36 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.451 4.606 18374 10284 1 36 . 1 1 15 15 CYS H H 15 7.646 7.646 8.468 -0.822 18374 10285 1 36 . 1 1 16 16 GLY N N 16 117.749 117.749 116.026 1.723 18374 10286 1 36 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.140 -0.355 18374 10287 1 36 . 1 1 16 16 GLY H H 16 8.916 8.916 9.017 -0.101 18374 10288 1 36 . 1 1 17 17 VAL N N 17 122.602 122.602 120.381 2.221 18374 10289 1 36 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.017 -0.003 18374 10290 1 36 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.433 0.598 18374 10291 1 36 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.924 0.916 18374 10292 1 36 . 1 1 17 17 VAL H H 17 8.856 8.856 7.965 0.891 18374 10293 1 36 . 1 1 18 18 CYS N N 18 115.430 115.430 116.798 -1.368 18374 10294 1 36 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.746 0.180 18374 10295 1 36 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.046 -0.867 18374 10296 1 36 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.720 1.891 18374 10297 1 36 . 1 1 18 18 CYS H H 18 7.758 7.758 8.082 -0.324 18374 10298 1 36 . 1 1 19 19 GLY N N 19 113.040 113.040 110.383 2.657 18374 10299 1 36 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.782 0.575 18374 10300 1 36 . 1 1 19 19 GLY H H 19 8.029 8.029 8.668 -0.639 18374 10301 1 36 . 1 1 20 20 ASP N N 20 123.399 123.399 118.824 4.575 18374 10302 1 36 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.866 0.141 18374 10303 1 36 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.410 0.104 18374 10304 1 36 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.023 0.519 18374 10305 1 36 . 1 1 20 20 ASP H H 20 8.722 8.722 7.530 1.192 18374 10306 1 36 . 1 1 21 21 GLY N N 21 111.371 111.371 109.857 1.514 18374 10307 1 36 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.476 0.631 18374 10308 1 36 . 1 1 21 21 GLY H H 21 8.667 8.667 8.546 0.121 18374 10309 1 36 . 1 1 22 22 THR N N 22 118.220 118.220 118.204 0.016 18374 10310 1 36 . 1 1 22 22 THR HA H 22 3.979 3.979 4.282 -0.303 18374 10311 1 36 . 1 1 22 22 THR CA C 22 64.367 64.367 63.865 0.502 18374 10312 1 36 . 1 1 22 22 THR CB C 22 67.783 67.783 69.518 -1.735 18374 10313 1 36 . 1 1 22 22 THR H H 22 8.784 8.784 8.210 0.574 18374 10314 1 36 . 1 1 23 23 ASP N N 23 127.251 127.251 124.074 3.177 18374 10315 1 36 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.238 0.063 18374 10316 1 36 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.162 0.265 18374 10317 1 36 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.681 -1.642 18374 10318 1 36 . 1 1 23 23 ASP H H 23 9.376 9.376 8.788 0.588 18374 10319 1 36 . 1 1 24 24 VAL N N 24 111.371 111.371 117.648 -6.277 18374 10320 1 36 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.380 -0.820 18374 10321 1 36 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.062 0.654 18374 10322 1 36 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.704 -1.412 18374 10323 1 36 . 1 1 24 24 VAL H H 24 7.402 7.402 8.000 -0.598 18374 10324 1 36 . 1 1 25 25 LEU N N 25 123.908 123.908 127.748 -3.840 18374 10325 1 36 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.479 -0.140 18374 10326 1 36 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.965 -1.443 18374 10327 1 36 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.912 -0.470 18374 10328 1 36 . 1 1 25 25 LEU H H 25 8.328 8.328 8.265 0.063 18374 10329 1 36 . 1 1 26 26 ARG N N 26 116.626 116.626 122.339 -5.713 18374 10330 1 36 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.139 -0.038 18374 10331 1 36 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.714 -2.059 18374 10332 1 36 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.044 0.624 18374 10333 1 36 . 1 1 26 26 ARG H H 26 7.877 7.877 8.168 -0.291 18374 10334 1 36 . 1 1 27 27 CYS N N 27 126.328 126.328 126.492 -0.164 18374 10335 1 36 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.785 -0.470 18374 10336 1 36 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.495 0.903 18374 10337 1 36 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.579 2.088 18374 10338 1 36 . 1 1 27 27 CYS H H 27 9.182 9.182 8.831 0.351 18374 10339 1 36 . 1 1 28 28 THR N N 28 122.470 122.470 121.552 0.918 18374 10340 1 36 . 1 1 28 28 THR HA H 28 4.166 4.166 4.403 -0.237 18374 10341 1 36 . 1 1 28 28 THR CA C 28 64.686 64.686 63.714 0.972 18374 10342 1 36 . 1 1 28 28 THR CB C 28 69.846 69.846 69.166 0.680 18374 10343 1 36 . 1 1 28 28 THR H H 28 8.956 8.956 9.228 -0.272 18374 10344 1 36 . 1 1 29 29 HIS N N 29 123.908 123.908 119.506 4.402 18374 10345 1 36 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.714 0.195 18374 10346 1 36 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.667 0.437 18374 10347 1 36 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.328 -0.783 18374 10348 1 36 . 1 1 29 29 HIS H H 29 9.464 9.464 8.512 0.952 18374 10349 1 36 . 1 1 30 30 CYS N N 30 119.946 119.946 115.934 4.012 18374 10350 1 36 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.761 0.050 18374 10351 1 36 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.270 2.820 18374 10352 1 36 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.334 2.564 18374 10353 1 36 . 1 1 30 30 CYS H H 30 8.710 8.710 7.798 0.912 18374 10354 1 36 . 1 1 31 31 ALA N N 31 120.477 120.477 124.790 -4.313 18374 10355 1 36 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.460 -0.176 18374 10356 1 36 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.766 2.724 18374 10357 1 36 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.176 -1.758 18374 10358 1 36 . 1 1 31 31 ALA H H 31 7.626 7.626 8.304 -0.678 18374 10359 1 36 . 1 1 32 32 ALA N N 32 125.524 125.524 126.303 -0.779 18374 10360 1 36 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.550 -0.304 18374 10361 1 36 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.727 1.113 18374 10362 1 36 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.485 -1.151 18374 10363 1 36 . 1 1 32 32 ALA H H 32 9.152 9.152 8.248 0.904 18374 10364 1 36 . 1 1 33 33 ALA N N 33 123.257 123.257 126.221 -2.964 18374 10365 1 36 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.870 -0.460 18374 10366 1 36 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.324 -0.518 18374 10367 1 36 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.414 -0.786 18374 10368 1 36 . 1 1 33 33 ALA H H 33 8.490 8.490 8.553 -0.063 18374 10369 1 36 . 1 1 34 34 PHE N N 34 118.220 118.220 119.714 -1.494 18374 10370 1 36 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.773 0.301 18374 10371 1 36 . 1 1 34 34 PHE CA C 34 55.762 55.762 55.587 0.175 18374 10372 1 36 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.285 -2.063 18374 10373 1 36 . 1 1 34 34 PHE H H 34 8.948 8.948 8.509 0.439 18374 10374 1 36 . 1 1 35 35 HIS N N 35 116.759 116.759 121.508 -4.749 18374 10375 1 36 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.753 0.133 18374 10376 1 36 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.739 1.399 18374 10377 1 36 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.761 1.262 18374 10378 1 36 . 1 1 35 35 HIS H H 35 7.932 7.932 8.000 -0.068 18374 10379 1 36 . 1 1 36 36 TRP N N 36 127.649 127.649 127.648 0.001 18374 10380 1 36 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.529 -0.091 18374 10381 1 36 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.189 0.184 18374 10382 1 36 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.786 -0.462 18374 10383 1 36 . 1 1 36 36 TRP H H 36 9.421 9.421 9.120 0.301 18374 10384 1 36 . 1 1 37 37 ARG N N 37 113.040 113.040 116.594 -3.554 18374 10385 1 36 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.575 -0.172 18374 10386 1 36 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.469 -0.996 18374 10387 1 36 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.742 -0.575 18374 10388 1 36 . 1 1 37 37 ARG H H 37 9.075 9.075 8.576 0.499 18374 10389 1 36 . 1 1 38 38 CYS N N 38 116.493 116.493 115.903 0.590 18374 10390 1 36 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.481 -0.263 18374 10391 1 36 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.541 1.918 18374 10392 1 36 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.689 2.987 18374 10393 1 36 . 1 1 38 38 CYS H H 38 7.169 7.169 7.879 -0.710 18374 10394 1 36 . 1 1 39 39 HIS N N 39 118.220 118.220 117.183 1.037 18374 10395 1 36 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.392 -0.169 18374 10396 1 36 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.404 2.072 18374 10397 1 36 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.657 3.683 18374 10398 1 36 . 1 1 39 39 HIS H H 39 7.562 7.562 7.726 -0.164 18374 10399 1 36 . 1 1 40 40 PHE N N 40 117.157 117.157 117.870 -0.713 18374 10400 1 36 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.742 0.041 18374 10401 1 36 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.753 -3.094 18374 10402 1 36 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.447 -0.640 18374 10403 1 36 . 1 1 40 40 PHE H H 40 8.282 8.282 8.436 -0.154 18374 10404 1 36 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.497 -0.010 18374 10405 1 36 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.778 0.441 18374 10406 1 36 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.510 -0.295 18374 10407 1 36 . 1 1 42 42 ALA N N 42 123.001 123.001 123.197 -0.196 18374 10408 1 36 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.187 0.171 18374 10409 1 36 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.014 -1.001 18374 10410 1 36 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.678 -0.037 18374 10411 1 36 . 1 1 42 42 ALA H H 42 8.635 8.635 8.570 0.065 18374 10412 1 36 . 1 1 43 43 GLY N N 43 108.291 108.291 105.347 2.944 18374 10413 1 36 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.202 0.264 18374 10414 1 36 . 1 1 43 43 GLY H H 43 8.529 8.529 8.199 0.330 18374 10415 1 36 . 1 1 44 44 THR N N 44 113.961 113.961 118.895 -4.934 18374 10416 1 36 . 1 1 44 44 THR HA H 44 4.424 4.424 4.506 -0.082 18374 10417 1 36 . 1 1 44 44 THR CA C 44 62.074 62.074 63.326 -1.252 18374 10418 1 36 . 1 1 44 44 THR CB C 44 70.259 70.259 69.563 0.696 18374 10419 1 36 . 1 1 44 44 THR H H 44 7.971 7.971 7.876 0.095 18374 10420 1 36 . 1 1 45 45 SER N N 45 120.467 120.467 120.167 0.300 18374 10421 1 36 . 1 1 45 45 SER HA H 45 4.280 4.280 4.596 -0.316 18374 10422 1 36 . 1 1 45 45 SER CA C 45 58.274 58.274 57.479 0.795 18374 10423 1 36 . 1 1 45 45 SER CB C 45 63.906 63.906 64.091 -0.186 18374 10424 1 36 . 1 1 45 45 SER H H 45 8.644 8.644 8.565 0.079 18374 10425 1 36 . 1 1 46 46 ARG N N 46 124.196 124.196 125.757 -1.561 18374 10426 1 36 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.046 0.874 18374 10427 1 36 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.358 -0.207 18374 10428 1 36 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.344 0.558 18374 10429 1 36 . 1 1 46 46 ARG H H 46 8.197 8.197 8.273 -0.076 18374 10430 1 36 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.425 -0.127 18374 10431 1 36 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.218 0.600 18374 10432 1 36 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.580 -0.394 18374 10433 1 36 . 1 1 48 48 GLY N N 48 108.071 108.071 108.278 -0.207 18374 10434 1 36 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.181 0.498 18374 10435 1 36 . 1 1 48 48 GLY H H 48 8.492 8.492 8.519 -0.027 18374 10436 1 36 . 1 1 49 49 THR N N 49 111.151 111.151 112.884 -1.733 18374 10437 1 36 . 1 1 49 49 THR HA H 49 4.377 4.377 4.398 -0.021 18374 10438 1 36 . 1 1 49 49 THR CA C 49 60.690 60.690 60.925 -0.235 18374 10439 1 36 . 1 1 49 49 THR CB C 49 70.332 70.332 68.797 1.535 18374 10440 1 36 . 1 1 49 49 THR H H 49 7.669 7.669 7.408 0.261 18374 10441 1 36 . 1 1 50 50 GLY N N 50 110.491 110.491 112.186 -1.695 18374 10442 1 36 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.733 1.448 18374 10443 1 36 . 1 1 50 50 GLY H H 50 8.459 8.459 8.323 0.136 18374 10444 1 36 . 1 1 51 51 LEU N N 51 121.407 121.407 122.975 -1.568 18374 10445 1 36 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.472 -0.190 18374 10446 1 36 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.685 1.683 18374 10447 1 36 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.304 0.515 18374 10448 1 36 . 1 1 51 51 LEU H H 51 8.248 8.248 8.204 0.044 18374 10449 1 36 . 1 1 52 52 ARG N N 52 124.997 124.997 124.403 0.594 18374 10450 1 36 . 1 1 52 52 ARG HA H 52 5.847 5.847 5.300 0.547 18374 10451 1 36 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.198 -0.067 18374 10452 1 36 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.797 2.188 18374 10453 1 36 . 1 1 52 52 ARG H H 52 8.639 8.639 8.380 0.259 18374 10454 1 36 . 1 1 53 53 CYS N N 53 120.743 120.743 121.686 -0.943 18374 10455 1 36 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.667 -1.174 18374 10456 1 36 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.014 0.190 18374 10457 1 36 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.672 0.107 18374 10458 1 36 . 1 1 53 53 CYS H H 53 8.933 8.933 8.732 0.201 18374 10459 1 36 . 1 1 54 54 ARG N N 54 121.407 121.407 120.065 1.342 18374 10460 1 36 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.100 -0.290 18374 10461 1 36 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.951 0.436 18374 10462 1 36 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.409 -0.526 18374 10463 1 36 . 1 1 54 54 ARG H H 54 10.380 10.380 8.533 1.847 18374 10464 1 36 . 1 1 55 55 SER N N 55 117.300 117.300 114.889 2.411 18374 10465 1 36 . 1 1 55 55 SER HA H 55 4.258 4.258 4.206 0.052 18374 10466 1 36 . 1 1 55 55 SER CA C 55 61.216 61.216 61.031 0.185 18374 10467 1 36 . 1 1 55 55 SER CB C 55 62.830 62.830 63.019 -0.189 18374 10468 1 36 . 1 1 55 55 SER H H 55 8.228 8.228 8.052 0.176 18374 10469 1 36 . 1 1 56 56 CYS N N 56 122.602 122.602 117.414 5.188 18374 10470 1 36 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.328 -0.142 18374 10471 1 36 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.084 1.158 18374 10472 1 36 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.232 2.684 18374 10473 1 36 . 1 1 56 56 CYS H H 56 7.999 7.999 7.550 0.449 18374 10474 1 36 . 1 1 57 57 SER N N 57 115.430 115.430 114.388 1.042 18374 10475 1 36 . 1 1 57 57 SER HA H 57 4.266 4.266 4.339 -0.073 18374 10476 1 36 . 1 1 57 57 SER CA C 57 59.992 59.992 60.031 -0.039 18374 10477 1 36 . 1 1 57 57 SER CB C 57 63.492 63.492 63.435 0.057 18374 10478 1 36 . 1 1 57 57 SER H H 57 7.938 7.938 8.298 -0.360 18374 10479 1 36 . 1 1 58 58 GLY N N 58 109.391 109.391 108.234 1.157 18374 10480 1 36 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.185 1.240 18374 10481 1 36 . 1 1 58 58 GLY H H 58 8.013 8.013 7.432 0.581 18374 10482 1 36 . 1 1 59 59 ASP N N 59 120.345 120.345 119.621 0.724 18374 10483 1 36 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.645 -0.054 18374 10484 1 36 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.240 1.052 18374 10485 1 36 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.888 -0.805 18374 10486 1 36 . 1 1 59 59 ASP H H 59 8.130 8.130 8.306 -0.176 18374 10487 1 36 . 1 1 60 60 VAL N N 60 119.548 119.548 117.141 2.407 18374 10488 1 36 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.385 -0.227 18374 10489 1 36 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.351 0.564 18374 10490 1 36 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.191 2.325 18374 10491 1 36 . 1 1 60 60 VAL H H 60 8.072 8.072 8.497 -0.425 18374 10492 1 36 . 1 1 61 61 THR N N 61 121.407 121.407 122.070 -0.663 18374 10493 1 36 . 1 1 61 61 THR HA H 61 4.509 4.509 4.472 0.037 18374 10494 1 36 . 1 1 61 61 THR CA C 61 59.848 59.848 61.177 -1.329 18374 10495 1 36 . 1 1 61 61 THR CB C 61 69.602 69.602 68.951 0.651 18374 10496 1 36 . 1 1 61 61 THR H H 61 8.335 8.335 7.880 0.455 18374 10497 1 36 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.521 -0.159 18374 10498 1 36 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.625 0.278 18374 10499 1 36 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.549 -0.600 18374 10500 1 36 . 1 1 63 63 ALA N N 63 125.923 125.923 127.170 -1.247 18374 10501 1 36 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.495 0.043 18374 10502 1 36 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.114 0.154 18374 10503 1 36 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.808 -1.108 18374 10504 1 36 . 1 1 63 63 ALA H H 63 8.368 8.368 8.296 0.072 18374 10505 1 36 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.419 -0.009 18374 10506 1 36 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.917 -0.020 18374 10507 1 36 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.709 1.215 18374 10508 1 36 . 1 1 65 65 VAL N N 65 120.526 120.526 119.904 0.622 18374 10509 1 36 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.299 -0.226 18374 10510 1 36 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.623 0.703 18374 10511 1 36 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.757 -0.677 18374 10512 1 36 . 1 1 65 65 VAL H H 65 8.270 8.270 7.848 0.422 18374 10513 1 37 . 1 1 2 2 ALA N N 2 123.688 123.688 125.110 -1.422 18374 10514 1 37 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.807 -0.509 18374 10515 1 37 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.831 0.879 18374 10516 1 37 . 1 1 2 2 ALA CB C 2 19.235 19.235 17.761 1.474 18374 10517 1 37 . 1 1 2 2 ALA H H 2 8.653 8.653 8.447 0.206 18374 10518 1 37 . 1 1 3 3 MET N N 3 119.289 119.289 119.510 -0.221 18374 10519 1 37 . 1 1 3 3 MET HA H 3 4.426 4.426 4.556 -0.130 18374 10520 1 37 . 1 1 3 3 MET CA C 3 55.430 55.430 55.275 0.155 18374 10521 1 37 . 1 1 3 3 MET CB C 3 32.532 32.532 33.520 -0.987 18374 10522 1 37 . 1 1 3 3 MET H H 3 8.545 8.545 8.059 0.486 18374 10523 1 37 . 1 1 4 4 GLU N N 4 122.149 122.149 121.277 0.872 18374 10524 1 37 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.393 -0.149 18374 10525 1 37 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.920 1.111 18374 10526 1 37 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.179 2.827 18374 10527 1 37 . 1 1 4 4 GLU H H 4 8.440 8.440 8.156 0.284 18374 10528 1 37 . 1 1 5 5 GLY N N 5 110.051 110.051 110.169 -0.118 18374 10529 1 37 . 1 1 5 5 GLY CA C 5 45.408 45.408 46.033 -0.625 18374 10530 1 37 . 1 1 5 5 GLY H H 5 8.500 8.500 8.234 0.266 18374 10531 1 37 . 1 1 6 6 GLN N N 6 119.509 119.509 118.307 1.202 18374 10532 1 37 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.266 0.020 18374 10533 1 37 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.503 0.497 18374 10534 1 37 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.223 -0.015 18374 10535 1 37 . 1 1 6 6 GLN H H 6 8.242 8.242 8.030 0.212 18374 10536 1 37 . 1 1 7 7 GLN N N 7 121.049 121.049 118.034 3.015 18374 10537 1 37 . 1 1 7 7 GLN HA H 7 4.261 4.261 3.970 0.291 18374 10538 1 37 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.857 0.247 18374 10539 1 37 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.269 1.935 18374 10540 1 37 . 1 1 7 7 GLN H H 7 8.534 8.534 8.327 0.207 18374 10541 1 37 . 1 1 8 8 ASN N N 8 119.289 119.289 119.084 0.205 18374 10542 1 37 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.838 -0.193 18374 10543 1 37 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.244 -0.137 18374 10544 1 37 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.432 -0.913 18374 10545 1 37 . 1 1 8 8 ASN H H 8 8.486 8.486 8.412 0.074 18374 10546 1 37 . 1 1 9 9 LEU N N 9 122.204 122.204 123.043 -0.839 18374 10547 1 37 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.601 -0.310 18374 10548 1 37 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.279 0.437 18374 10549 1 37 . 1 1 9 9 LEU CB C 9 42.397 42.397 43.601 -1.204 18374 10550 1 37 . 1 1 9 9 LEU H H 9 8.145 8.145 8.408 -0.263 18374 10551 1 37 . 1 1 10 10 ALA N N 10 126.188 126.188 130.203 -4.015 18374 10552 1 37 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.662 -0.130 18374 10553 1 37 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.081 0.256 18374 10554 1 37 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.426 -0.633 18374 10555 1 37 . 1 1 10 10 ALA H H 10 8.324 8.324 8.337 -0.013 18374 10556 1 37 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.179 0.185 18374 10557 1 37 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.248 -0.340 18374 10558 1 37 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.539 1.330 18374 10559 1 37 . 1 1 12 12 GLY N N 12 108.951 108.951 112.474 -3.523 18374 10560 1 37 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.269 -0.048 18374 10561 1 37 . 1 1 12 12 GLY H H 12 8.501 8.501 8.228 0.273 18374 10562 1 37 . 1 1 13 13 ALA N N 13 123.134 123.134 124.079 -0.945 18374 10563 1 37 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.272 -0.038 18374 10564 1 37 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.186 -0.077 18374 10565 1 37 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.770 1.755 18374 10566 1 37 . 1 1 13 13 ALA H H 13 7.957 7.957 7.812 0.145 18374 10567 1 37 . 1 1 14 14 ARG N N 14 116.759 116.759 119.535 -2.776 18374 10568 1 37 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.506 -0.387 18374 10569 1 37 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.157 -1.347 18374 10570 1 37 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.667 -2.214 18374 10571 1 37 . 1 1 14 14 ARG H H 14 7.990 7.990 8.134 -0.144 18374 10572 1 37 . 1 1 15 15 CYS N N 15 123.688 123.688 122.798 0.890 18374 10573 1 37 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.572 -0.555 18374 10574 1 37 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.280 -0.170 18374 10575 1 37 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.943 4.114 18374 10576 1 37 . 1 1 15 15 CYS H H 15 7.646 7.646 8.559 -0.913 18374 10577 1 37 . 1 1 16 16 GLY N N 16 117.749 117.749 116.689 1.060 18374 10578 1 37 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.228 -0.443 18374 10579 1 37 . 1 1 16 16 GLY H H 16 8.916 8.916 9.091 -0.175 18374 10580 1 37 . 1 1 17 17 VAL N N 17 122.602 122.602 120.350 2.252 18374 10581 1 37 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.100 -0.086 18374 10582 1 37 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.599 0.432 18374 10583 1 37 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.378 0.462 18374 10584 1 37 . 1 1 17 17 VAL H H 17 8.856 8.856 7.753 1.103 18374 10585 1 37 . 1 1 18 18 CYS N N 18 115.430 115.430 117.724 -2.294 18374 10586 1 37 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.767 0.159 18374 10587 1 37 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.355 -1.176 18374 10588 1 37 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.395 2.216 18374 10589 1 37 . 1 1 18 18 CYS H H 18 7.758 7.758 8.046 -0.288 18374 10590 1 37 . 1 1 19 19 GLY N N 19 113.040 113.040 110.726 2.314 18374 10591 1 37 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.467 0.890 18374 10592 1 37 . 1 1 19 19 GLY H H 19 8.029 8.029 8.803 -0.774 18374 10593 1 37 . 1 1 20 20 ASP N N 20 123.399 123.399 118.638 4.761 18374 10594 1 37 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.928 0.079 18374 10595 1 37 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.134 0.380 18374 10596 1 37 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.970 0.572 18374 10597 1 37 . 1 1 20 20 ASP H H 20 8.722 8.722 7.458 1.264 18374 10598 1 37 . 1 1 21 21 GLY N N 21 111.371 111.371 109.520 1.851 18374 10599 1 37 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.929 0.178 18374 10600 1 37 . 1 1 21 21 GLY H H 21 8.667 8.667 8.480 0.187 18374 10601 1 37 . 1 1 22 22 THR N N 22 118.220 118.220 116.981 1.239 18374 10602 1 37 . 1 1 22 22 THR HA H 22 3.979 3.979 4.349 -0.370 18374 10603 1 37 . 1 1 22 22 THR CA C 22 64.367 64.367 63.708 0.659 18374 10604 1 37 . 1 1 22 22 THR CB C 22 67.783 67.783 69.292 -1.509 18374 10605 1 37 . 1 1 22 22 THR H H 22 8.784 8.784 8.046 0.738 18374 10606 1 37 . 1 1 23 23 ASP N N 23 127.251 127.251 122.948 4.303 18374 10607 1 37 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.246 0.055 18374 10608 1 37 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.668 -0.241 18374 10609 1 37 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.081 -1.042 18374 10610 1 37 . 1 1 23 23 ASP H H 23 9.376 9.376 8.894 0.482 18374 10611 1 37 . 1 1 24 24 VAL N N 24 111.371 111.371 117.315 -5.944 18374 10612 1 37 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.283 -0.723 18374 10613 1 37 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.656 0.060 18374 10614 1 37 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.494 -1.202 18374 10615 1 37 . 1 1 24 24 VAL H H 24 7.402 7.402 7.607 -0.205 18374 10616 1 37 . 1 1 25 25 LEU N N 25 123.908 123.908 127.722 -3.814 18374 10617 1 37 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.520 -0.181 18374 10618 1 37 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.495 -0.973 18374 10619 1 37 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.571 -1.129 18374 10620 1 37 . 1 1 25 25 LEU H H 25 8.328 8.328 8.529 -0.201 18374 10621 1 37 . 1 1 26 26 ARG N N 26 116.626 116.626 120.625 -3.999 18374 10622 1 37 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.294 -0.193 18374 10623 1 37 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.650 -1.995 18374 10624 1 37 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.039 -0.371 18374 10625 1 37 . 1 1 26 26 ARG H H 26 7.877 7.877 8.062 -0.185 18374 10626 1 37 . 1 1 27 27 CYS N N 27 126.328 126.328 125.184 1.144 18374 10627 1 37 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.844 -0.529 18374 10628 1 37 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.774 1.624 18374 10629 1 37 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.030 1.637 18374 10630 1 37 . 1 1 27 27 CYS H H 27 9.182 9.182 8.499 0.683 18374 10631 1 37 . 1 1 28 28 THR N N 28 122.470 122.470 120.552 1.918 18374 10632 1 37 . 1 1 28 28 THR HA H 28 4.166 4.166 4.429 -0.263 18374 10633 1 37 . 1 1 28 28 THR CA C 28 64.686 64.686 63.655 1.031 18374 10634 1 37 . 1 1 28 28 THR CB C 28 69.846 69.846 69.394 0.452 18374 10635 1 37 . 1 1 28 28 THR H H 28 8.956 8.956 9.148 -0.192 18374 10636 1 37 . 1 1 29 29 HIS N N 29 123.908 123.908 119.484 4.424 18374 10637 1 37 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.612 0.297 18374 10638 1 37 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.360 0.744 18374 10639 1 37 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.913 -0.368 18374 10640 1 37 . 1 1 29 29 HIS H H 29 9.464 9.464 8.521 0.943 18374 10641 1 37 . 1 1 30 30 CYS N N 30 119.946 119.946 114.715 5.231 18374 10642 1 37 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.886 -0.075 18374 10643 1 37 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.154 2.936 18374 10644 1 37 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.003 1.895 18374 10645 1 37 . 1 1 30 30 CYS H H 30 8.710 8.710 7.841 0.869 18374 10646 1 37 . 1 1 31 31 ALA N N 31 120.477 120.477 124.342 -3.865 18374 10647 1 37 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.579 -0.295 18374 10648 1 37 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.802 2.688 18374 10649 1 37 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.984 -1.566 18374 10650 1 37 . 1 1 31 31 ALA H H 31 7.626 7.626 8.507 -0.881 18374 10651 1 37 . 1 1 32 32 ALA N N 32 125.524 125.524 125.628 -0.104 18374 10652 1 37 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.563 -0.317 18374 10653 1 37 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.525 1.315 18374 10654 1 37 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.023 -1.689 18374 10655 1 37 . 1 1 32 32 ALA H H 32 9.152 9.152 8.302 0.850 18374 10656 1 37 . 1 1 33 33 ALA N N 33 123.257 123.257 126.345 -3.088 18374 10657 1 37 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.703 -0.293 18374 10658 1 37 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.030 -0.224 18374 10659 1 37 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.478 -0.850 18374 10660 1 37 . 1 1 33 33 ALA H H 33 8.490 8.490 8.785 -0.295 18374 10661 1 37 . 1 1 34 34 PHE N N 34 118.220 118.220 120.176 -1.956 18374 10662 1 37 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.686 0.388 18374 10663 1 37 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.323 -0.561 18374 10664 1 37 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.731 -1.509 18374 10665 1 37 . 1 1 34 34 PHE H H 34 8.948 8.948 8.693 0.255 18374 10666 1 37 . 1 1 35 35 HIS N N 35 116.759 116.759 122.325 -5.566 18374 10667 1 37 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.777 0.109 18374 10668 1 37 . 1 1 35 35 HIS CA C 35 56.138 56.138 55.047 1.091 18374 10669 1 37 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.959 1.064 18374 10670 1 37 . 1 1 35 35 HIS H H 35 7.932 7.932 8.117 -0.185 18374 10671 1 37 . 1 1 36 36 TRP N N 36 127.649 127.649 127.730 -0.081 18374 10672 1 37 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.517 -0.079 18374 10673 1 37 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.673 -0.300 18374 10674 1 37 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.859 -0.535 18374 10675 1 37 . 1 1 36 36 TRP H H 36 9.421 9.421 9.068 0.353 18374 10676 1 37 . 1 1 37 37 ARG N N 37 113.040 113.040 114.616 -1.576 18374 10677 1 37 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.446 -0.042 18374 10678 1 37 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.273 -0.800 18374 10679 1 37 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.611 -0.444 18374 10680 1 37 . 1 1 37 37 ARG H H 37 9.075 9.075 8.536 0.539 18374 10681 1 37 . 1 1 38 38 CYS N N 38 116.493 116.493 115.476 1.017 18374 10682 1 37 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.553 -0.335 18374 10683 1 37 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.031 2.428 18374 10684 1 37 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.958 2.718 18374 10685 1 37 . 1 1 38 38 CYS H H 38 7.169 7.169 7.954 -0.785 18374 10686 1 37 . 1 1 39 39 HIS N N 39 118.220 118.220 117.741 0.479 18374 10687 1 37 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.421 -0.198 18374 10688 1 37 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.877 1.599 18374 10689 1 37 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.383 2.958 18374 10690 1 37 . 1 1 39 39 HIS H H 39 7.562 7.562 7.645 -0.083 18374 10691 1 37 . 1 1 40 40 PHE N N 40 117.157 117.157 118.234 -1.077 18374 10692 1 37 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.640 0.143 18374 10693 1 37 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.182 -2.523 18374 10694 1 37 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.772 -0.965 18374 10695 1 37 . 1 1 40 40 PHE H H 40 8.282 8.282 8.270 0.012 18374 10696 1 37 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.367 0.120 18374 10697 1 37 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.103 0.116 18374 10698 1 37 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.165 0.050 18374 10699 1 37 . 1 1 42 42 ALA N N 42 123.001 123.001 125.513 -2.512 18374 10700 1 37 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.211 0.147 18374 10701 1 37 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.048 -1.035 18374 10702 1 37 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.680 -0.039 18374 10703 1 37 . 1 1 42 42 ALA H H 42 8.635 8.635 8.592 0.043 18374 10704 1 37 . 1 1 43 43 GLY N N 43 108.291 108.291 106.029 2.262 18374 10705 1 37 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.216 0.250 18374 10706 1 37 . 1 1 43 43 GLY H H 43 8.529 8.529 8.387 0.142 18374 10707 1 37 . 1 1 44 44 THR N N 44 113.961 113.961 119.156 -5.195 18374 10708 1 37 . 1 1 44 44 THR HA H 44 4.424 4.424 4.449 -0.025 18374 10709 1 37 . 1 1 44 44 THR CA C 44 62.074 62.074 62.689 -0.615 18374 10710 1 37 . 1 1 44 44 THR CB C 44 70.259 70.259 69.817 0.442 18374 10711 1 37 . 1 1 44 44 THR H H 44 7.971 7.971 7.951 0.020 18374 10712 1 37 . 1 1 45 45 SER N N 45 120.467 120.467 120.648 -0.181 18374 10713 1 37 . 1 1 45 45 SER HA H 45 4.280 4.280 4.489 -0.209 18374 10714 1 37 . 1 1 45 45 SER CA C 45 58.274 58.274 58.336 -0.062 18374 10715 1 37 . 1 1 45 45 SER CB C 45 63.906 63.906 63.490 0.416 18374 10716 1 37 . 1 1 45 45 SER H H 45 8.644 8.644 8.641 0.003 18374 10717 1 37 . 1 1 46 46 ARG N N 46 124.196 124.196 126.625 -2.429 18374 10718 1 37 . 1 1 46 46 ARG HA H 46 3.920 3.920 2.891 1.029 18374 10719 1 37 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.766 -0.614 18374 10720 1 37 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.024 -0.122 18374 10721 1 37 . 1 1 46 46 ARG H H 46 8.197 8.197 8.312 -0.115 18374 10722 1 37 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.378 -0.080 18374 10723 1 37 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.506 0.312 18374 10724 1 37 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.215 -0.029 18374 10725 1 37 . 1 1 48 48 GLY N N 48 108.071 108.071 109.884 -1.813 18374 10726 1 37 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.883 -0.204 18374 10727 1 37 . 1 1 48 48 GLY H H 48 8.492 8.492 8.549 -0.057 18374 10728 1 37 . 1 1 49 49 THR N N 49 111.151 111.151 114.477 -3.326 18374 10729 1 37 . 1 1 49 49 THR HA H 49 4.377 4.377 4.427 -0.050 18374 10730 1 37 . 1 1 49 49 THR CA C 49 60.690 60.690 61.070 -0.380 18374 10731 1 37 . 1 1 49 49 THR CB C 49 70.332 70.332 69.503 0.829 18374 10732 1 37 . 1 1 49 49 THR H H 49 7.669 7.669 7.492 0.177 18374 10733 1 37 . 1 1 50 50 GLY N N 50 110.491 110.491 114.784 -4.293 18374 10734 1 37 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.275 0.906 18374 10735 1 37 . 1 1 50 50 GLY H H 50 8.459 8.459 8.484 -0.025 18374 10736 1 37 . 1 1 51 51 LEU N N 51 121.407 121.407 120.598 0.809 18374 10737 1 37 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.361 -0.079 18374 10738 1 37 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.840 1.528 18374 10739 1 37 . 1 1 51 51 LEU CB C 51 42.819 42.819 43.366 -0.547 18374 10740 1 37 . 1 1 51 51 LEU H H 51 8.248 8.248 8.039 0.209 18374 10741 1 37 . 1 1 52 52 ARG N N 52 124.997 124.997 125.384 -0.387 18374 10742 1 37 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.902 0.945 18374 10743 1 37 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.646 -0.515 18374 10744 1 37 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.481 2.504 18374 10745 1 37 . 1 1 52 52 ARG H H 52 8.639 8.639 8.372 0.267 18374 10746 1 37 . 1 1 53 53 CYS N N 53 120.743 120.743 121.796 -1.053 18374 10747 1 37 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.861 -1.368 18374 10748 1 37 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.028 0.176 18374 10749 1 37 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.684 0.095 18374 10750 1 37 . 1 1 53 53 CYS H H 53 8.933 8.933 8.527 0.406 18374 10751 1 37 . 1 1 54 54 ARG N N 54 121.407 121.407 120.097 1.310 18374 10752 1 37 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.033 -0.223 18374 10753 1 37 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.103 0.284 18374 10754 1 37 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.347 -0.464 18374 10755 1 37 . 1 1 54 54 ARG H H 54 10.380 10.380 8.609 1.771 18374 10756 1 37 . 1 1 55 55 SER N N 55 117.300 117.300 114.231 3.069 18374 10757 1 37 . 1 1 55 55 SER HA H 55 4.258 4.258 4.381 -0.123 18374 10758 1 37 . 1 1 55 55 SER CA C 55 61.216 61.216 60.983 0.233 18374 10759 1 37 . 1 1 55 55 SER CB C 55 62.830 62.830 63.531 -0.701 18374 10760 1 37 . 1 1 55 55 SER H H 55 8.228 8.228 8.066 0.162 18374 10761 1 37 . 1 1 56 56 CYS N N 56 122.602 122.602 120.311 2.291 18374 10762 1 37 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.419 -0.233 18374 10763 1 37 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.220 0.022 18374 10764 1 37 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.392 3.524 18374 10765 1 37 . 1 1 56 56 CYS H H 56 7.999 7.999 7.860 0.139 18374 10766 1 37 . 1 1 57 57 SER N N 57 115.430 115.430 113.835 1.595 18374 10767 1 37 . 1 1 57 57 SER HA H 57 4.266 4.266 4.485 -0.219 18374 10768 1 37 . 1 1 57 57 SER CA C 57 59.992 59.992 59.011 0.981 18374 10769 1 37 . 1 1 57 57 SER CB C 57 63.492 63.492 62.702 0.790 18374 10770 1 37 . 1 1 57 57 SER H H 57 7.938 7.938 8.091 -0.153 18374 10771 1 37 . 1 1 58 58 GLY N N 58 109.391 109.391 109.257 0.134 18374 10772 1 37 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.269 1.157 18374 10773 1 37 . 1 1 58 58 GLY H H 58 8.013 8.013 7.443 0.570 18374 10774 1 37 . 1 1 59 59 ASP N N 59 120.345 120.345 120.169 0.176 18374 10775 1 37 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.766 -0.175 18374 10776 1 37 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.357 0.935 18374 10777 1 37 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.160 -1.077 18374 10778 1 37 . 1 1 59 59 ASP H H 59 8.130 8.130 8.309 -0.179 18374 10779 1 37 . 1 1 60 60 VAL N N 60 119.548 119.548 116.654 2.894 18374 10780 1 37 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.402 -0.244 18374 10781 1 37 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.638 0.277 18374 10782 1 37 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.585 -0.070 18374 10783 1 37 . 1 1 60 60 VAL H H 60 8.072 8.072 8.262 -0.190 18374 10784 1 37 . 1 1 61 61 THR N N 61 121.407 121.407 121.878 -0.471 18374 10785 1 37 . 1 1 61 61 THR HA H 61 4.509 4.509 4.698 -0.189 18374 10786 1 37 . 1 1 61 61 THR CA C 61 59.848 59.848 59.428 0.420 18374 10787 1 37 . 1 1 61 61 THR CB C 61 69.602 69.602 69.943 -0.341 18374 10788 1 37 . 1 1 61 61 THR H H 61 8.335 8.335 8.365 -0.030 18374 10789 1 37 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.542 -0.180 18374 10790 1 37 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.656 0.247 18374 10791 1 37 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.547 -0.598 18374 10792 1 37 . 1 1 63 63 ALA N N 63 125.923 125.923 128.068 -2.145 18374 10793 1 37 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.414 0.124 18374 10794 1 37 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.487 -0.219 18374 10795 1 37 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.812 -1.112 18374 10796 1 37 . 1 1 63 63 ALA H H 63 8.368 8.368 8.335 0.033 18374 10797 1 37 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.454 -0.044 18374 10798 1 37 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.952 -0.055 18374 10799 1 37 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.343 1.581 18374 10800 1 37 . 1 1 65 65 VAL N N 65 120.526 120.526 118.557 1.969 18374 10801 1 37 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.264 -0.191 18374 10802 1 37 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.162 0.164 18374 10803 1 37 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.510 -0.430 18374 10804 1 37 . 1 1 65 65 VAL H H 65 8.270 8.270 8.041 0.229 18374 10805 1 38 . 1 1 2 2 ALA N N 2 123.688 123.688 126.221 -2.533 18374 10806 1 38 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.627 -0.329 18374 10807 1 38 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.828 0.882 18374 10808 1 38 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.841 -0.606 18374 10809 1 38 . 1 1 2 2 ALA H H 2 8.653 8.653 8.282 0.371 18374 10810 1 38 . 1 1 3 3 MET N N 3 119.289 119.289 120.864 -1.575 18374 10811 1 38 . 1 1 3 3 MET HA H 3 4.426 4.426 4.654 -0.228 18374 10812 1 38 . 1 1 3 3 MET CA C 3 55.430 55.430 55.634 -0.204 18374 10813 1 38 . 1 1 3 3 MET CB C 3 32.532 32.532 34.285 -1.753 18374 10814 1 38 . 1 1 3 3 MET H H 3 8.545 8.545 8.153 0.392 18374 10815 1 38 . 1 1 4 4 GLU N N 4 122.149 122.149 126.379 -4.230 18374 10816 1 38 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.416 -0.172 18374 10817 1 38 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.553 1.478 18374 10818 1 38 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.837 2.169 18374 10819 1 38 . 1 1 4 4 GLU H H 4 8.440 8.440 8.817 -0.377 18374 10820 1 38 . 1 1 5 5 GLY N N 5 110.051 110.051 107.228 2.823 18374 10821 1 38 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.782 0.626 18374 10822 1 38 . 1 1 5 5 GLY H H 5 8.500 8.500 7.971 0.529 18374 10823 1 38 . 1 1 6 6 GLN N N 6 119.509 119.509 121.471 -1.962 18374 10824 1 38 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.361 -0.075 18374 10825 1 38 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.710 0.290 18374 10826 1 38 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.322 -0.114 18374 10827 1 38 . 1 1 6 6 GLN H H 6 8.242 8.242 8.741 -0.499 18374 10828 1 38 . 1 1 7 7 GLN N N 7 121.049 121.049 118.162 2.887 18374 10829 1 38 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.366 -0.105 18374 10830 1 38 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.417 0.687 18374 10831 1 38 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.407 -0.203 18374 10832 1 38 . 1 1 7 7 GLN H H 7 8.534 8.534 7.700 0.834 18374 10833 1 38 . 1 1 8 8 ASN N N 8 119.289 119.289 114.366 4.923 18374 10834 1 38 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.499 0.146 18374 10835 1 38 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.071 -0.964 18374 10836 1 38 . 1 1 8 8 ASN CB C 8 38.519 38.519 37.209 1.310 18374 10837 1 38 . 1 1 8 8 ASN H H 8 8.486 8.486 8.659 -0.173 18374 10838 1 38 . 1 1 9 9 LEU N N 9 122.204 122.204 121.028 1.176 18374 10839 1 38 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.523 -0.232 18374 10840 1 38 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.002 0.714 18374 10841 1 38 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.790 0.607 18374 10842 1 38 . 1 1 9 9 LEU H H 9 8.145 8.145 7.777 0.368 18374 10843 1 38 . 1 1 10 10 ALA N N 10 126.188 126.188 127.657 -1.469 18374 10844 1 38 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.576 -0.044 18374 10845 1 38 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.543 -0.206 18374 10846 1 38 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.465 -0.672 18374 10847 1 38 . 1 1 10 10 ALA H H 10 8.324 8.324 8.313 0.011 18374 10848 1 38 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.371 -0.007 18374 10849 1 38 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.298 0.610 18374 10850 1 38 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.265 -0.396 18374 10851 1 38 . 1 1 12 12 GLY N N 12 108.951 108.951 106.583 2.368 18374 10852 1 38 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.808 0.413 18374 10853 1 38 . 1 1 12 12 GLY H H 12 8.501 8.501 7.968 0.533 18374 10854 1 38 . 1 1 13 13 ALA N N 13 123.134 123.134 128.926 -5.792 18374 10855 1 38 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.431 -0.197 18374 10856 1 38 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.635 0.474 18374 10857 1 38 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.890 1.635 18374 10858 1 38 . 1 1 13 13 ALA H H 13 7.957 7.957 8.340 -0.383 18374 10859 1 38 . 1 1 14 14 ARG N N 14 116.759 116.759 120.659 -3.900 18374 10860 1 38 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.761 -0.642 18374 10861 1 38 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.940 -1.130 18374 10862 1 38 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.186 -1.733 18374 10863 1 38 . 1 1 14 14 ARG H H 14 7.990 7.990 7.750 0.240 18374 10864 1 38 . 1 1 15 15 CYS N N 15 123.688 123.688 124.827 -1.139 18374 10865 1 38 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.699 -0.682 18374 10866 1 38 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.806 0.304 18374 10867 1 38 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.620 3.437 18374 10868 1 38 . 1 1 15 15 CYS H H 15 7.646 7.646 8.568 -0.922 18374 10869 1 38 . 1 1 16 16 GLY N N 16 117.749 117.749 116.815 0.934 18374 10870 1 38 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.019 -0.234 18374 10871 1 38 . 1 1 16 16 GLY H H 16 8.916 8.916 9.299 -0.383 18374 10872 1 38 . 1 1 17 17 VAL N N 17 122.602 122.602 119.929 2.673 18374 10873 1 38 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.927 0.087 18374 10874 1 38 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.436 0.594 18374 10875 1 38 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.343 0.498 18374 10876 1 38 . 1 1 17 17 VAL H H 17 8.856 8.856 7.822 1.034 18374 10877 1 38 . 1 1 18 18 CYS N N 18 115.430 115.430 117.393 -1.963 18374 10878 1 38 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.740 0.186 18374 10879 1 38 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.427 -1.248 18374 10880 1 38 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.133 1.478 18374 10881 1 38 . 1 1 18 18 CYS H H 18 7.758 7.758 8.239 -0.481 18374 10882 1 38 . 1 1 19 19 GLY N N 19 113.040 113.040 109.563 3.477 18374 10883 1 38 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.610 0.747 18374 10884 1 38 . 1 1 19 19 GLY H H 19 8.029 8.029 8.906 -0.877 18374 10885 1 38 . 1 1 20 20 ASP N N 20 123.399 123.399 120.096 3.303 18374 10886 1 38 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.862 0.145 18374 10887 1 38 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.511 1.002 18374 10888 1 38 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.367 1.175 18374 10889 1 38 . 1 1 20 20 ASP H H 20 8.722 8.722 7.678 1.044 18374 10890 1 38 . 1 1 21 21 GLY N N 21 111.371 111.371 110.221 1.150 18374 10891 1 38 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.221 0.886 18374 10892 1 38 . 1 1 21 21 GLY H H 21 8.667 8.667 8.582 0.085 18374 10893 1 38 . 1 1 22 22 THR N N 22 118.220 118.220 119.051 -0.831 18374 10894 1 38 . 1 1 22 22 THR HA H 22 3.979 3.979 4.177 -0.198 18374 10895 1 38 . 1 1 22 22 THR CA C 22 64.367 64.367 63.651 0.716 18374 10896 1 38 . 1 1 22 22 THR CB C 22 67.783 67.783 69.164 -1.381 18374 10897 1 38 . 1 1 22 22 THR H H 22 8.784 8.784 8.506 0.278 18374 10898 1 38 . 1 1 23 23 ASP N N 23 127.251 127.251 125.631 1.620 18374 10899 1 38 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.282 0.019 18374 10900 1 38 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.840 0.587 18374 10901 1 38 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.322 -1.284 18374 10902 1 38 . 1 1 23 23 ASP H H 23 9.376 9.376 8.937 0.439 18374 10903 1 38 . 1 1 24 24 VAL N N 24 111.371 111.371 118.025 -6.654 18374 10904 1 38 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.394 -0.834 18374 10905 1 38 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.900 0.816 18374 10906 1 38 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.763 -1.471 18374 10907 1 38 . 1 1 24 24 VAL H H 24 7.402 7.402 8.000 -0.598 18374 10908 1 38 . 1 1 25 25 LEU N N 25 123.908 123.908 128.290 -4.382 18374 10909 1 38 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.476 -0.137 18374 10910 1 38 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.775 -1.253 18374 10911 1 38 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.593 -1.151 18374 10912 1 38 . 1 1 25 25 LEU H H 25 8.328 8.328 8.843 -0.515 18374 10913 1 38 . 1 1 26 26 ARG N N 26 116.626 116.626 120.394 -3.768 18374 10914 1 38 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.240 -0.139 18374 10915 1 38 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.160 -1.504 18374 10916 1 38 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.490 0.178 18374 10917 1 38 . 1 1 26 26 ARG H H 26 7.877 7.877 8.095 -0.218 18374 10918 1 38 . 1 1 27 27 CYS N N 27 126.328 126.328 123.709 2.619 18374 10919 1 38 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.754 -0.439 18374 10920 1 38 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.445 0.953 18374 10921 1 38 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.880 1.787 18374 10922 1 38 . 1 1 27 27 CYS H H 27 9.182 9.182 8.394 0.788 18374 10923 1 38 . 1 1 28 28 THR N N 28 122.470 122.470 122.380 0.090 18374 10924 1 38 . 1 1 28 28 THR HA H 28 4.166 4.166 4.339 -0.173 18374 10925 1 38 . 1 1 28 28 THR CA C 28 64.686 64.686 63.922 0.764 18374 10926 1 38 . 1 1 28 28 THR CB C 28 69.846 69.846 68.835 1.011 18374 10927 1 38 . 1 1 28 28 THR H H 28 8.956 8.956 9.001 -0.045 18374 10928 1 38 . 1 1 29 29 HIS N N 29 123.908 123.908 119.709 4.199 18374 10929 1 38 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.614 0.295 18374 10930 1 38 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.504 0.600 18374 10931 1 38 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.018 -0.473 18374 10932 1 38 . 1 1 29 29 HIS H H 29 9.464 9.464 8.243 1.221 18374 10933 1 38 . 1 1 30 30 CYS N N 30 119.946 119.946 114.898 5.048 18374 10934 1 38 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.771 0.040 18374 10935 1 38 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.607 2.483 18374 10936 1 38 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.540 2.358 18374 10937 1 38 . 1 1 30 30 CYS H H 30 8.710 8.710 7.827 0.883 18374 10938 1 38 . 1 1 31 31 ALA N N 31 120.477 120.477 124.705 -4.228 18374 10939 1 38 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.464 -0.180 18374 10940 1 38 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.915 2.575 18374 10941 1 38 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.933 -1.515 18374 10942 1 38 . 1 1 31 31 ALA H H 31 7.626 7.626 8.346 -0.720 18374 10943 1 38 . 1 1 32 32 ALA N N 32 125.524 125.524 126.143 -0.619 18374 10944 1 38 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.515 -0.269 18374 10945 1 38 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.674 1.166 18374 10946 1 38 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.677 -1.343 18374 10947 1 38 . 1 1 32 32 ALA H H 32 9.152 9.152 8.318 0.834 18374 10948 1 38 . 1 1 33 33 ALA N N 33 123.257 123.257 128.078 -4.821 18374 10949 1 38 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.558 -0.148 18374 10950 1 38 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.222 -0.416 18374 10951 1 38 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.966 -0.338 18374 10952 1 38 . 1 1 33 33 ALA H H 33 8.490 8.490 8.833 -0.343 18374 10953 1 38 . 1 1 34 34 PHE N N 34 118.220 118.220 119.922 -1.702 18374 10954 1 38 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.848 0.226 18374 10955 1 38 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.498 -0.736 18374 10956 1 38 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.113 -1.891 18374 10957 1 38 . 1 1 34 34 PHE H H 34 8.948 8.948 8.788 0.160 18374 10958 1 38 . 1 1 35 35 HIS N N 35 116.759 116.759 119.947 -3.188 18374 10959 1 38 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.946 -0.060 18374 10960 1 38 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.641 1.497 18374 10961 1 38 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.670 0.353 18374 10962 1 38 . 1 1 35 35 HIS H H 35 7.932 7.932 8.020 -0.088 18374 10963 1 38 . 1 1 36 36 TRP N N 36 127.649 127.649 127.201 0.448 18374 10964 1 38 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.580 -0.142 18374 10965 1 38 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.213 0.160 18374 10966 1 38 . 1 1 36 36 TRP CB C 36 29.324 29.324 30.061 -0.737 18374 10967 1 38 . 1 1 36 36 TRP H H 36 9.421 9.421 9.094 0.327 18374 10968 1 38 . 1 1 37 37 ARG N N 37 113.040 113.040 114.649 -1.609 18374 10969 1 38 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.325 0.079 18374 10970 1 38 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.267 -0.794 18374 10971 1 38 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.563 -0.396 18374 10972 1 38 . 1 1 37 37 ARG H H 37 9.075 9.075 8.551 0.524 18374 10973 1 38 . 1 1 38 38 CYS N N 38 116.493 116.493 115.121 1.372 18374 10974 1 38 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.571 -0.353 18374 10975 1 38 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.658 2.801 18374 10976 1 38 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.153 2.523 18374 10977 1 38 . 1 1 38 38 CYS H H 38 7.169 7.169 7.861 -0.692 18374 10978 1 38 . 1 1 39 39 HIS N N 39 118.220 118.220 116.386 1.834 18374 10979 1 38 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.349 -0.126 18374 10980 1 38 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.509 0.967 18374 10981 1 38 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.555 3.785 18374 10982 1 38 . 1 1 39 39 HIS H H 39 7.562 7.562 7.680 -0.118 18374 10983 1 38 . 1 1 40 40 PHE N N 40 117.157 117.157 117.538 -0.381 18374 10984 1 38 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.730 0.053 18374 10985 1 38 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.019 -2.360 18374 10986 1 38 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.760 -0.953 18374 10987 1 38 . 1 1 40 40 PHE H H 40 8.282 8.282 8.238 0.044 18374 10988 1 38 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.437 0.050 18374 10989 1 38 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.090 0.129 18374 10990 1 38 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.032 0.183 18374 10991 1 38 . 1 1 42 42 ALA N N 42 123.001 123.001 125.805 -2.804 18374 10992 1 38 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.205 0.153 18374 10993 1 38 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.094 -1.081 18374 10994 1 38 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.725 -0.084 18374 10995 1 38 . 1 1 42 42 ALA H H 42 8.635 8.635 8.575 0.061 18374 10996 1 38 . 1 1 43 43 GLY N N 43 108.291 108.291 104.814 3.477 18374 10997 1 38 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.925 0.541 18374 10998 1 38 . 1 1 43 43 GLY H H 43 8.529 8.529 8.224 0.305 18374 10999 1 38 . 1 1 44 44 THR N N 44 113.961 113.961 119.035 -5.074 18374 11000 1 38 . 1 1 44 44 THR HA H 44 4.424 4.424 4.549 -0.125 18374 11001 1 38 . 1 1 44 44 THR CA C 44 62.074 62.074 61.956 0.118 18374 11002 1 38 . 1 1 44 44 THR CB C 44 70.259 70.259 70.058 0.201 18374 11003 1 38 . 1 1 44 44 THR H H 44 7.971 7.971 7.741 0.230 18374 11004 1 38 . 1 1 45 45 SER N N 45 120.467 120.467 120.077 0.390 18374 11005 1 38 . 1 1 45 45 SER HA H 45 4.280 4.280 4.694 -0.414 18374 11006 1 38 . 1 1 45 45 SER CA C 45 58.274 58.274 57.655 0.619 18374 11007 1 38 . 1 1 45 45 SER CB C 45 63.906 63.906 64.305 -0.399 18374 11008 1 38 . 1 1 45 45 SER H H 45 8.644 8.644 8.539 0.105 18374 11009 1 38 . 1 1 46 46 ARG N N 46 124.196 124.196 121.870 2.326 18374 11010 1 38 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.940 -0.020 18374 11011 1 38 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.427 -0.275 18374 11012 1 38 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.984 0.918 18374 11013 1 38 . 1 1 46 46 ARG H H 46 8.197 8.197 8.170 0.027 18374 11014 1 38 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.406 -0.108 18374 11015 1 38 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.374 0.444 18374 11016 1 38 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.492 -0.306 18374 11017 1 38 . 1 1 48 48 GLY N N 48 108.071 108.071 109.578 -1.507 18374 11018 1 38 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.722 -0.043 18374 11019 1 38 . 1 1 48 48 GLY H H 48 8.492 8.492 8.626 -0.134 18374 11020 1 38 . 1 1 49 49 THR N N 49 111.151 111.151 110.695 0.456 18374 11021 1 38 . 1 1 49 49 THR HA H 49 4.377 4.377 4.357 0.020 18374 11022 1 38 . 1 1 49 49 THR CA C 49 60.690 60.690 61.413 -0.723 18374 11023 1 38 . 1 1 49 49 THR CB C 49 70.332 70.332 69.307 1.025 18374 11024 1 38 . 1 1 49 49 THR H H 49 7.669 7.669 7.706 -0.037 18374 11025 1 38 . 1 1 50 50 GLY N N 50 110.491 110.491 109.215 1.276 18374 11026 1 38 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.539 1.642 18374 11027 1 38 . 1 1 50 50 GLY H H 50 8.459 8.459 7.344 1.115 18374 11028 1 38 . 1 1 51 51 LEU N N 51 121.407 121.407 122.415 -1.008 18374 11029 1 38 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.286 -0.004 18374 11030 1 38 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.245 1.123 18374 11031 1 38 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.294 0.525 18374 11032 1 38 . 1 1 51 51 LEU H H 51 8.248 8.248 8.459 -0.211 18374 11033 1 38 . 1 1 52 52 ARG N N 52 124.997 124.997 125.614 -0.617 18374 11034 1 38 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.802 1.045 18374 11035 1 38 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.271 -1.140 18374 11036 1 38 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.331 2.654 18374 11037 1 38 . 1 1 52 52 ARG H H 52 8.639 8.639 8.431 0.208 18374 11038 1 38 . 1 1 53 53 CYS N N 53 120.743 120.743 122.394 -1.651 18374 11039 1 38 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.481 -0.988 18374 11040 1 38 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.751 0.453 18374 11041 1 38 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.911 0.868 18374 11042 1 38 . 1 1 53 53 CYS H H 53 8.933 8.933 8.504 0.429 18374 11043 1 38 . 1 1 54 54 ARG N N 54 121.407 121.407 120.011 1.396 18374 11044 1 38 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.007 -0.197 18374 11045 1 38 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.476 -0.089 18374 11046 1 38 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.750 -0.868 18374 11047 1 38 . 1 1 54 54 ARG H H 54 10.380 10.380 8.653 1.727 18374 11048 1 38 . 1 1 55 55 SER N N 55 117.300 117.300 115.173 2.127 18374 11049 1 38 . 1 1 55 55 SER HA H 55 4.258 4.258 4.277 -0.019 18374 11050 1 38 . 1 1 55 55 SER CA C 55 61.216 61.216 60.849 0.367 18374 11051 1 38 . 1 1 55 55 SER CB C 55 62.830 62.830 63.372 -0.542 18374 11052 1 38 . 1 1 55 55 SER H H 55 8.228 8.228 8.004 0.224 18374 11053 1 38 . 1 1 56 56 CYS N N 56 122.602 122.602 119.569 3.033 18374 11054 1 38 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.379 -0.193 18374 11055 1 38 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.412 -0.170 18374 11056 1 38 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.708 3.208 18374 11057 1 38 . 1 1 56 56 CYS H H 56 7.999 7.999 7.809 0.190 18374 11058 1 38 . 1 1 57 57 SER N N 57 115.430 115.430 115.381 0.049 18374 11059 1 38 . 1 1 57 57 SER HA H 57 4.266 4.266 4.425 -0.159 18374 11060 1 38 . 1 1 57 57 SER CA C 57 59.992 59.992 60.784 -0.792 18374 11061 1 38 . 1 1 57 57 SER CB C 57 63.492 63.492 62.655 0.837 18374 11062 1 38 . 1 1 57 57 SER H H 57 7.938 7.938 8.788 -0.850 18374 11063 1 38 . 1 1 58 58 GLY N N 58 109.391 109.391 109.226 0.165 18374 11064 1 38 . 1 1 58 58 GLY CA C 58 45.426 45.426 46.263 -0.837 18374 11065 1 38 . 1 1 58 58 GLY H H 58 8.013 8.013 7.854 0.159 18374 11066 1 38 . 1 1 59 59 ASP N N 59 120.345 120.345 121.191 -0.846 18374 11067 1 38 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.676 -0.085 18374 11068 1 38 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.493 -0.202 18374 11069 1 38 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.708 -0.625 18374 11070 1 38 . 1 1 59 59 ASP H H 59 8.130 8.130 7.698 0.432 18374 11071 1 38 . 1 1 60 60 VAL N N 60 119.548 119.548 121.795 -2.247 18374 11072 1 38 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.184 -0.026 18374 11073 1 38 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.018 -0.103 18374 11074 1 38 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.585 1.930 18374 11075 1 38 . 1 1 60 60 VAL H H 60 8.072 8.072 7.411 0.661 18374 11076 1 38 . 1 1 61 61 THR N N 61 121.407 121.407 120.672 0.735 18374 11077 1 38 . 1 1 61 61 THR HA H 61 4.509 4.509 4.694 -0.185 18374 11078 1 38 . 1 1 61 61 THR CA C 61 59.848 59.848 58.965 0.883 18374 11079 1 38 . 1 1 61 61 THR CB C 61 69.602 69.602 70.850 -1.248 18374 11080 1 38 . 1 1 61 61 THR H H 61 8.335 8.335 7.687 0.648 18374 11081 1 38 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.497 -0.135 18374 11082 1 38 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.715 0.188 18374 11083 1 38 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.221 -0.272 18374 11084 1 38 . 1 1 63 63 ALA N N 63 125.923 125.923 127.083 -1.160 18374 11085 1 38 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.449 0.089 18374 11086 1 38 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.675 -0.407 18374 11087 1 38 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.120 -1.420 18374 11088 1 38 . 1 1 63 63 ALA H H 63 8.368 8.368 8.245 0.123 18374 11089 1 38 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.436 -0.026 18374 11090 1 38 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.057 -0.160 18374 11091 1 38 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.430 0.494 18374 11092 1 38 . 1 1 65 65 VAL N N 65 120.526 120.526 121.819 -1.293 18374 11093 1 38 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.373 -0.300 18374 11094 1 38 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.116 0.210 18374 11095 1 38 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.486 -0.406 18374 11096 1 38 . 1 1 65 65 VAL H H 65 8.270 8.270 8.282 -0.012 18374 11097 1 39 . 1 1 2 2 ALA N N 2 123.688 123.688 121.461 2.227 18374 11098 1 39 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.138 0.160 18374 11099 1 39 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.509 0.201 18374 11100 1 39 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.503 0.732 18374 11101 1 39 . 1 1 2 2 ALA H H 2 8.653 8.653 8.108 0.545 18374 11102 1 39 . 1 1 3 3 MET N N 3 119.289 119.289 119.876 -0.587 18374 11103 1 39 . 1 1 3 3 MET HA H 3 4.426 4.426 4.520 -0.094 18374 11104 1 39 . 1 1 3 3 MET CA C 3 55.430 55.430 55.378 0.052 18374 11105 1 39 . 1 1 3 3 MET CB C 3 32.532 32.532 33.183 -0.651 18374 11106 1 39 . 1 1 3 3 MET H H 3 8.545 8.545 7.842 0.703 18374 11107 1 39 . 1 1 4 4 GLU N N 4 122.149 122.149 124.919 -2.770 18374 11108 1 39 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.457 -0.213 18374 11109 1 39 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.906 1.125 18374 11110 1 39 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.601 -0.595 18374 11111 1 39 . 1 1 4 4 GLU H H 4 8.440 8.440 8.535 -0.095 18374 11112 1 39 . 1 1 5 5 GLY N N 5 110.051 110.051 108.863 1.188 18374 11113 1 39 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.904 0.504 18374 11114 1 39 . 1 1 5 5 GLY H H 5 8.500 8.500 8.512 -0.012 18374 11115 1 39 . 1 1 6 6 GLN N N 6 119.509 119.509 124.416 -4.907 18374 11116 1 39 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.286 0.000 18374 11117 1 39 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.166 0.834 18374 11118 1 39 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.024 0.184 18374 11119 1 39 . 1 1 6 6 GLN H H 6 8.242 8.242 8.558 -0.316 18374 11120 1 39 . 1 1 7 7 GLN N N 7 121.049 121.049 119.821 1.228 18374 11121 1 39 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.098 0.163 18374 11122 1 39 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.743 0.361 18374 11123 1 39 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.322 0.882 18374 11124 1 39 . 1 1 7 7 GLN H H 7 8.534 8.534 8.432 0.102 18374 11125 1 39 . 1 1 8 8 ASN N N 8 119.289 119.289 116.533 2.756 18374 11126 1 39 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.546 0.099 18374 11127 1 39 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.254 -1.147 18374 11128 1 39 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.544 -0.025 18374 11129 1 39 . 1 1 8 8 ASN H H 8 8.486 8.486 8.387 0.099 18374 11130 1 39 . 1 1 9 9 LEU N N 9 122.204 122.204 122.095 0.109 18374 11131 1 39 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.473 -0.182 18374 11132 1 39 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.734 0.982 18374 11133 1 39 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.596 0.801 18374 11134 1 39 . 1 1 9 9 LEU H H 9 8.145 8.145 7.605 0.540 18374 11135 1 39 . 1 1 10 10 ALA N N 10 126.188 126.188 130.007 -3.819 18374 11136 1 39 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.484 0.048 18374 11137 1 39 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.411 -0.074 18374 11138 1 39 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.599 -0.806 18374 11139 1 39 . 1 1 10 10 ALA H H 10 8.324 8.324 8.235 0.089 18374 11140 1 39 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.343 0.021 18374 11141 1 39 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.071 0.837 18374 11142 1 39 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.050 1.819 18374 11143 1 39 . 1 1 12 12 GLY N N 12 108.951 108.951 111.896 -2.945 18374 11144 1 39 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.795 0.426 18374 11145 1 39 . 1 1 12 12 GLY H H 12 8.501 8.501 8.305 0.196 18374 11146 1 39 . 1 1 13 13 ALA N N 13 123.134 123.134 127.445 -4.311 18374 11147 1 39 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.521 -0.287 18374 11148 1 39 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.537 0.572 18374 11149 1 39 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.728 0.797 18374 11150 1 39 . 1 1 13 13 ALA H H 13 7.957 7.957 8.578 -0.621 18374 11151 1 39 . 1 1 14 14 ARG N N 14 116.759 116.759 120.231 -3.472 18374 11152 1 39 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.590 -0.471 18374 11153 1 39 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.818 -1.008 18374 11154 1 39 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.636 -2.183 18374 11155 1 39 . 1 1 14 14 ARG H H 14 7.990 7.990 7.749 0.241 18374 11156 1 39 . 1 1 15 15 CYS N N 15 123.688 123.688 122.328 1.360 18374 11157 1 39 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.640 -0.623 18374 11158 1 39 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.958 0.152 18374 11159 1 39 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.735 4.322 18374 11160 1 39 . 1 1 15 15 CYS H H 15 7.646 7.646 8.450 -0.804 18374 11161 1 39 . 1 1 16 16 GLY N N 16 117.749 117.749 116.764 0.985 18374 11162 1 39 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.244 -0.459 18374 11163 1 39 . 1 1 16 16 GLY H H 16 8.916 8.916 9.121 -0.205 18374 11164 1 39 . 1 1 17 17 VAL N N 17 122.602 122.602 120.430 2.172 18374 11165 1 39 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.039 -0.025 18374 11166 1 39 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.647 0.384 18374 11167 1 39 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.288 0.551 18374 11168 1 39 . 1 1 17 17 VAL H H 17 8.856 8.856 7.787 1.069 18374 11169 1 39 . 1 1 18 18 CYS N N 18 115.430 115.430 117.402 -1.972 18374 11170 1 39 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.765 0.161 18374 11171 1 39 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.524 -1.345 18374 11172 1 39 . 1 1 18 18 CYS CB C 18 31.611 31.611 29.752 1.859 18374 11173 1 39 . 1 1 18 18 CYS H H 18 7.758 7.758 8.143 -0.385 18374 11174 1 39 . 1 1 19 19 GLY N N 19 113.040 113.040 109.778 3.262 18374 11175 1 39 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.640 0.717 18374 11176 1 39 . 1 1 19 19 GLY H H 19 8.029 8.029 8.885 -0.856 18374 11177 1 39 . 1 1 20 20 ASP N N 20 123.399 123.399 120.030 3.369 18374 11178 1 39 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.996 0.011 18374 11179 1 39 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.181 1.333 18374 11180 1 39 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.226 0.316 18374 11181 1 39 . 1 1 20 20 ASP H H 20 8.722 8.722 7.586 1.136 18374 11182 1 39 . 1 1 21 21 GLY N N 21 111.371 111.371 109.435 1.936 18374 11183 1 39 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.516 0.591 18374 11184 1 39 . 1 1 21 21 GLY H H 21 8.667 8.667 8.652 0.015 18374 11185 1 39 . 1 1 22 22 THR N N 22 118.220 118.220 116.297 1.923 18374 11186 1 39 . 1 1 22 22 THR HA H 22 3.979 3.979 4.344 -0.365 18374 11187 1 39 . 1 1 22 22 THR CA C 22 64.367 64.367 63.585 0.782 18374 11188 1 39 . 1 1 22 22 THR CB C 22 67.783 67.783 69.752 -1.969 18374 11189 1 39 . 1 1 22 22 THR H H 22 8.784 8.784 8.782 0.002 18374 11190 1 39 . 1 1 23 23 ASP N N 23 127.251 127.251 124.516 2.735 18374 11191 1 39 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.267 0.034 18374 11192 1 39 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.550 -0.123 18374 11193 1 39 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.497 -0.458 18374 11194 1 39 . 1 1 23 23 ASP H H 23 9.376 9.376 8.802 0.574 18374 11195 1 39 . 1 1 24 24 VAL N N 24 111.371 111.371 117.076 -5.705 18374 11196 1 39 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.270 -0.710 18374 11197 1 39 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.106 0.610 18374 11198 1 39 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.308 -1.016 18374 11199 1 39 . 1 1 24 24 VAL H H 24 7.402 7.402 7.785 -0.383 18374 11200 1 39 . 1 1 25 25 LEU N N 25 123.908 123.908 127.432 -3.524 18374 11201 1 39 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.497 -0.158 18374 11202 1 39 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.954 -1.432 18374 11203 1 39 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.676 -0.234 18374 11204 1 39 . 1 1 25 25 LEU H H 25 8.328 8.328 8.507 -0.178 18374 11205 1 39 . 1 1 26 26 ARG N N 26 116.626 116.626 120.320 -3.694 18374 11206 1 39 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.336 -0.235 18374 11207 1 39 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.469 -0.814 18374 11208 1 39 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.655 0.013 18374 11209 1 39 . 1 1 26 26 ARG H H 26 7.877 7.877 8.129 -0.252 18374 11210 1 39 . 1 1 27 27 CYS N N 27 126.328 126.328 122.396 3.932 18374 11211 1 39 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.942 -0.627 18374 11212 1 39 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.079 1.319 18374 11213 1 39 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.942 1.725 18374 11214 1 39 . 1 1 27 27 CYS H H 27 9.182 9.182 8.327 0.855 18374 11215 1 39 . 1 1 28 28 THR N N 28 122.470 122.470 121.143 1.327 18374 11216 1 39 . 1 1 28 28 THR HA H 28 4.166 4.166 4.418 -0.252 18374 11217 1 39 . 1 1 28 28 THR CA C 28 64.686 64.686 64.379 0.307 18374 11218 1 39 . 1 1 28 28 THR CB C 28 69.846 69.846 69.275 0.571 18374 11219 1 39 . 1 1 28 28 THR H H 28 8.956 8.956 9.180 -0.224 18374 11220 1 39 . 1 1 29 29 HIS N N 29 123.908 123.908 119.203 4.705 18374 11221 1 39 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.616 0.293 18374 11222 1 39 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.970 1.134 18374 11223 1 39 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.771 -0.226 18374 11224 1 39 . 1 1 29 29 HIS H H 29 9.464 9.464 8.757 0.707 18374 11225 1 39 . 1 1 30 30 CYS N N 30 119.946 119.946 114.789 5.157 18374 11226 1 39 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.762 0.049 18374 11227 1 39 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.691 2.399 18374 11228 1 39 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.649 2.249 18374 11229 1 39 . 1 1 30 30 CYS H H 30 8.710 8.710 7.727 0.983 18374 11230 1 39 . 1 1 31 31 ALA N N 31 120.477 120.477 124.723 -4.246 18374 11231 1 39 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.510 -0.226 18374 11232 1 39 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.846 2.644 18374 11233 1 39 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.973 -1.555 18374 11234 1 39 . 1 1 31 31 ALA H H 31 7.626 7.626 8.332 -0.706 18374 11235 1 39 . 1 1 32 32 ALA N N 32 125.524 125.524 125.141 0.383 18374 11236 1 39 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.555 -0.309 18374 11237 1 39 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.408 1.432 18374 11238 1 39 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.128 -1.794 18374 11239 1 39 . 1 1 32 32 ALA H H 32 9.152 9.152 8.342 0.810 18374 11240 1 39 . 1 1 33 33 ALA N N 33 123.257 123.257 125.399 -2.142 18374 11241 1 39 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.582 -0.172 18374 11242 1 39 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.256 -0.450 18374 11243 1 39 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.269 -0.641 18374 11244 1 39 . 1 1 33 33 ALA H H 33 8.490 8.490 8.627 -0.137 18374 11245 1 39 . 1 1 34 34 PHE N N 34 118.220 118.220 120.619 -2.399 18374 11246 1 39 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.804 0.270 18374 11247 1 39 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.174 -0.412 18374 11248 1 39 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.052 -1.830 18374 11249 1 39 . 1 1 34 34 PHE H H 34 8.948 8.948 8.692 0.256 18374 11250 1 39 . 1 1 35 35 HIS N N 35 116.759 116.759 121.639 -4.880 18374 11251 1 39 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.883 0.003 18374 11252 1 39 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.555 1.583 18374 11253 1 39 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.614 0.409 18374 11254 1 39 . 1 1 35 35 HIS H H 35 7.932 7.932 8.370 -0.438 18374 11255 1 39 . 1 1 36 36 TRP N N 36 127.649 127.649 126.828 0.821 18374 11256 1 39 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.606 -0.168 18374 11257 1 39 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.125 0.248 18374 11258 1 39 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.790 -0.466 18374 11259 1 39 . 1 1 36 36 TRP H H 36 9.421 9.421 9.173 0.248 18374 11260 1 39 . 1 1 37 37 ARG N N 37 113.040 113.040 116.209 -3.169 18374 11261 1 39 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.272 0.132 18374 11262 1 39 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.837 -1.363 18374 11263 1 39 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.731 -0.564 18374 11264 1 39 . 1 1 37 37 ARG H H 37 9.075 9.075 8.631 0.444 18374 11265 1 39 . 1 1 38 38 CYS N N 38 116.493 116.493 114.868 1.625 18374 11266 1 39 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.528 -0.310 18374 11267 1 39 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.040 2.419 18374 11268 1 39 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.864 2.812 18374 11269 1 39 . 1 1 38 38 CYS H H 38 7.169 7.169 7.924 -0.755 18374 11270 1 39 . 1 1 39 39 HIS N N 39 118.220 118.220 117.090 1.130 18374 11271 1 39 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.432 -0.209 18374 11272 1 39 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.483 0.993 18374 11273 1 39 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.423 2.917 18374 11274 1 39 . 1 1 39 39 HIS H H 39 7.562 7.562 7.587 -0.025 18374 11275 1 39 . 1 1 40 40 PHE N N 40 117.157 117.157 118.073 -0.916 18374 11276 1 39 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.664 0.119 18374 11277 1 39 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.996 -2.337 18374 11278 1 39 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.184 -1.377 18374 11279 1 39 . 1 1 40 40 PHE H H 40 8.282 8.282 8.178 0.104 18374 11280 1 39 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.489 -0.002 18374 11281 1 39 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.672 0.547 18374 11282 1 39 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.493 -0.278 18374 11283 1 39 . 1 1 42 42 ALA N N 42 123.001 123.001 124.257 -1.256 18374 11284 1 39 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.169 0.189 18374 11285 1 39 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.120 -1.107 18374 11286 1 39 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.687 -0.046 18374 11287 1 39 . 1 1 42 42 ALA H H 42 8.635 8.635 8.563 0.072 18374 11288 1 39 . 1 1 43 43 GLY N N 43 108.291 108.291 104.423 3.868 18374 11289 1 39 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.058 0.408 18374 11290 1 39 . 1 1 43 43 GLY H H 43 8.529 8.529 8.198 0.331 18374 11291 1 39 . 1 1 44 44 THR N N 44 113.961 113.961 119.111 -5.150 18374 11292 1 39 . 1 1 44 44 THR HA H 44 4.424 4.424 4.495 -0.071 18374 11293 1 39 . 1 1 44 44 THR CA C 44 62.074 62.074 63.192 -1.118 18374 11294 1 39 . 1 1 44 44 THR CB C 44 70.259 70.259 69.795 0.464 18374 11295 1 39 . 1 1 44 44 THR H H 44 7.971 7.971 7.851 0.120 18374 11296 1 39 . 1 1 45 45 SER N N 45 120.467 120.467 120.791 -0.324 18374 11297 1 39 . 1 1 45 45 SER HA H 45 4.280 4.280 4.525 -0.245 18374 11298 1 39 . 1 1 45 45 SER CA C 45 58.274 58.274 57.644 0.630 18374 11299 1 39 . 1 1 45 45 SER CB C 45 63.906 63.906 64.567 -0.661 18374 11300 1 39 . 1 1 45 45 SER H H 45 8.644 8.644 8.715 -0.071 18374 11301 1 39 . 1 1 46 46 ARG N N 46 124.196 124.196 126.893 -2.697 18374 11302 1 39 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.486 0.434 18374 11303 1 39 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.861 -0.709 18374 11304 1 39 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.061 -0.159 18374 11305 1 39 . 1 1 46 46 ARG H H 46 8.197 8.197 8.268 -0.071 18374 11306 1 39 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.425 -0.127 18374 11307 1 39 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.563 0.255 18374 11308 1 39 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.260 -0.074 18374 11309 1 39 . 1 1 48 48 GLY N N 48 108.071 108.071 109.523 -1.452 18374 11310 1 39 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.735 -0.056 18374 11311 1 39 . 1 1 48 48 GLY H H 48 8.492 8.492 8.701 -0.209 18374 11312 1 39 . 1 1 49 49 THR N N 49 111.151 111.151 111.943 -0.792 18374 11313 1 39 . 1 1 49 49 THR HA H 49 4.377 4.377 4.399 -0.022 18374 11314 1 39 . 1 1 49 49 THR CA C 49 60.690 60.690 61.152 -0.462 18374 11315 1 39 . 1 1 49 49 THR CB C 49 70.332 70.332 69.338 0.994 18374 11316 1 39 . 1 1 49 49 THR H H 49 7.669 7.669 7.745 -0.076 18374 11317 1 39 . 1 1 50 50 GLY N N 50 110.491 110.491 108.722 1.769 18374 11318 1 39 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.336 1.845 18374 11319 1 39 . 1 1 50 50 GLY H H 50 8.459 8.459 7.179 1.280 18374 11320 1 39 . 1 1 51 51 LEU N N 51 121.407 121.407 122.999 -1.592 18374 11321 1 39 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.460 -0.178 18374 11322 1 39 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.211 1.157 18374 11323 1 39 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.959 0.860 18374 11324 1 39 . 1 1 51 51 LEU H H 51 8.248 8.248 8.671 -0.423 18374 11325 1 39 . 1 1 52 52 ARG N N 52 124.997 124.997 123.185 1.812 18374 11326 1 39 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.970 0.877 18374 11327 1 39 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.618 -0.487 18374 11328 1 39 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.451 2.534 18374 11329 1 39 . 1 1 52 52 ARG H H 52 8.639 8.639 8.665 -0.026 18374 11330 1 39 . 1 1 53 53 CYS N N 53 120.743 120.743 123.704 -2.961 18374 11331 1 39 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.268 -0.775 18374 11332 1 39 . 1 1 53 53 CYS CA C 53 57.204 57.204 58.102 -0.899 18374 11333 1 39 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.883 1.896 18374 11334 1 39 . 1 1 53 53 CYS H H 53 8.933 8.933 8.812 0.121 18374 11335 1 39 . 1 1 54 54 ARG N N 54 121.407 121.407 120.557 0.850 18374 11336 1 39 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.866 -0.056 18374 11337 1 39 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.503 -0.116 18374 11338 1 39 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.807 -0.924 18374 11339 1 39 . 1 1 54 54 ARG H H 54 10.380 10.380 8.652 1.728 18374 11340 1 39 . 1 1 55 55 SER N N 55 117.300 117.300 114.459 2.841 18374 11341 1 39 . 1 1 55 55 SER HA H 55 4.258 4.258 4.354 -0.096 18374 11342 1 39 . 1 1 55 55 SER CA C 55 61.216 61.216 61.138 0.078 18374 11343 1 39 . 1 1 55 55 SER CB C 55 62.830 62.830 62.721 0.109 18374 11344 1 39 . 1 1 55 55 SER H H 55 8.228 8.228 8.218 0.010 18374 11345 1 39 . 1 1 56 56 CYS N N 56 122.602 122.602 119.860 2.742 18374 11346 1 39 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.256 -0.070 18374 11347 1 39 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.214 0.028 18374 11348 1 39 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.671 3.245 18374 11349 1 39 . 1 1 56 56 CYS H H 56 7.999 7.999 7.827 0.172 18374 11350 1 39 . 1 1 57 57 SER N N 57 115.430 115.430 111.996 3.434 18374 11351 1 39 . 1 1 57 57 SER HA H 57 4.266 4.266 4.574 -0.308 18374 11352 1 39 . 1 1 57 57 SER CA C 57 59.992 59.992 58.368 1.624 18374 11353 1 39 . 1 1 57 57 SER CB C 57 63.492 63.492 63.765 -0.273 18374 11354 1 39 . 1 1 57 57 SER H H 57 7.938 7.938 8.350 -0.412 18374 11355 1 39 . 1 1 58 58 GLY N N 58 109.391 109.391 109.663 -0.272 18374 11356 1 39 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.065 1.361 18374 11357 1 39 . 1 1 58 58 GLY H H 58 8.013 8.013 7.351 0.662 18374 11358 1 39 . 1 1 59 59 ASP N N 59 120.345 120.345 120.956 -0.611 18374 11359 1 39 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.752 -0.161 18374 11360 1 39 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.147 0.145 18374 11361 1 39 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.389 0.694 18374 11362 1 39 . 1 1 59 59 ASP H H 59 8.130 8.130 8.454 -0.324 18374 11363 1 39 . 1 1 60 60 VAL N N 60 119.548 119.548 123.039 -3.491 18374 11364 1 39 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.402 -0.244 18374 11365 1 39 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.346 -0.431 18374 11366 1 39 . 1 1 60 60 VAL CB C 60 32.515 32.515 35.110 -2.595 18374 11367 1 39 . 1 1 60 60 VAL H H 60 8.072 8.072 8.186 -0.114 18374 11368 1 39 . 1 1 61 61 THR N N 61 121.407 121.407 120.657 0.750 18374 11369 1 39 . 1 1 61 61 THR HA H 61 4.509 4.509 4.710 -0.201 18374 11370 1 39 . 1 1 61 61 THR CA C 61 59.848 59.848 59.351 0.497 18374 11371 1 39 . 1 1 61 61 THR CB C 61 69.602 69.602 68.943 0.659 18374 11372 1 39 . 1 1 61 61 THR H H 61 8.335 8.335 8.129 0.206 18374 11373 1 39 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.510 -0.148 18374 11374 1 39 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.883 0.020 18374 11375 1 39 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.577 -0.628 18374 11376 1 39 . 1 1 63 63 ALA N N 63 125.923 125.923 126.423 -0.500 18374 11377 1 39 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.644 -0.106 18374 11378 1 39 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.057 0.211 18374 11379 1 39 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.708 -2.008 18374 11380 1 39 . 1 1 63 63 ALA H H 63 8.368 8.368 8.241 0.127 18374 11381 1 39 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.458 -0.049 18374 11382 1 39 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.894 0.003 18374 11383 1 39 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.176 1.748 18374 11384 1 39 . 1 1 65 65 VAL N N 65 120.526 120.526 121.419 -0.893 18374 11385 1 39 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.102 -0.029 18374 11386 1 39 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.287 0.039 18374 11387 1 39 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.106 0.974 18374 11388 1 39 . 1 1 65 65 VAL H H 65 8.270 8.270 7.823 0.447 18374 11389 1 40 . 1 1 2 2 ALA N N 2 123.688 123.688 121.651 2.037 18374 11390 1 40 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.132 0.166 18374 11391 1 40 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.603 0.107 18374 11392 1 40 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.430 0.805 18374 11393 1 40 . 1 1 2 2 ALA H H 2 8.653 8.653 8.262 0.391 18374 11394 1 40 . 1 1 3 3 MET N N 3 119.289 119.289 120.547 -1.258 18374 11395 1 40 . 1 1 3 3 MET HA H 3 4.426 4.426 4.236 0.190 18374 11396 1 40 . 1 1 3 3 MET CA C 3 55.430 55.430 56.928 -1.498 18374 11397 1 40 . 1 1 3 3 MET CB C 3 32.532 32.532 32.349 0.183 18374 11398 1 40 . 1 1 3 3 MET H H 3 8.545 8.545 8.300 0.245 18374 11399 1 40 . 1 1 4 4 GLU N N 4 122.149 122.149 119.013 3.136 18374 11400 1 40 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.097 0.147 18374 11401 1 40 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.958 -0.927 18374 11402 1 40 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.789 2.217 18374 11403 1 40 . 1 1 4 4 GLU H H 4 8.440 8.440 8.955 -0.515 18374 11404 1 40 . 1 1 5 5 GLY N N 5 110.051 110.051 106.609 3.442 18374 11405 1 40 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.417 -0.009 18374 11406 1 40 . 1 1 5 5 GLY H H 5 8.500 8.500 7.942 0.558 18374 11407 1 40 . 1 1 6 6 GLN N N 6 119.509 119.509 118.098 1.411 18374 11408 1 40 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.397 -0.111 18374 11409 1 40 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.829 0.171 18374 11410 1 40 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.941 0.267 18374 11411 1 40 . 1 1 6 6 GLN H H 6 8.242 8.242 7.631 0.611 18374 11412 1 40 . 1 1 7 7 GLN N N 7 121.049 121.049 119.497 1.552 18374 11413 1 40 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.333 -0.072 18374 11414 1 40 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.335 0.769 18374 11415 1 40 . 1 1 7 7 GLN CB C 7 29.204 29.204 26.328 2.876 18374 11416 1 40 . 1 1 7 7 GLN H H 7 8.534 8.534 7.501 1.033 18374 11417 1 40 . 1 1 8 8 ASN N N 8 119.289 119.289 120.057 -0.768 18374 11418 1 40 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.502 0.143 18374 11419 1 40 . 1 1 8 8 ASN CA C 8 53.107 53.107 55.248 -2.141 18374 11420 1 40 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.932 -0.413 18374 11421 1 40 . 1 1 8 8 ASN H H 8 8.486 8.486 8.109 0.377 18374 11422 1 40 . 1 1 9 9 LEU N N 9 122.204 122.204 122.155 0.049 18374 11423 1 40 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.366 -0.075 18374 11424 1 40 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.508 0.207 18374 11425 1 40 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.683 0.714 18374 11426 1 40 . 1 1 9 9 LEU H H 9 8.145 8.145 7.934 0.211 18374 11427 1 40 . 1 1 10 10 ALA N N 10 126.188 126.188 129.183 -2.995 18374 11428 1 40 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.578 -0.046 18374 11429 1 40 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.036 0.301 18374 11430 1 40 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.812 -1.019 18374 11431 1 40 . 1 1 10 10 ALA H H 10 8.324 8.324 8.375 -0.051 18374 11432 1 40 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.420 -0.056 18374 11433 1 40 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.889 1.019 18374 11434 1 40 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.416 1.454 18374 11435 1 40 . 1 1 12 12 GLY N N 12 108.951 108.951 110.502 -1.551 18374 11436 1 40 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.583 0.638 18374 11437 1 40 . 1 1 12 12 GLY H H 12 8.501 8.501 7.973 0.528 18374 11438 1 40 . 1 1 13 13 ALA N N 13 123.134 123.134 128.049 -4.915 18374 11439 1 40 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.362 -0.128 18374 11440 1 40 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.976 0.133 18374 11441 1 40 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.846 0.679 18374 11442 1 40 . 1 1 13 13 ALA H H 13 7.957 7.957 8.532 -0.575 18374 11443 1 40 . 1 1 14 14 ARG N N 14 116.759 116.759 121.961 -5.202 18374 11444 1 40 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.631 -0.512 18374 11445 1 40 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.280 -0.470 18374 11446 1 40 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.500 -2.047 18374 11447 1 40 . 1 1 14 14 ARG H H 14 7.990 7.990 7.892 0.098 18374 11448 1 40 . 1 1 15 15 CYS N N 15 123.688 123.688 123.447 0.241 18374 11449 1 40 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.695 -0.678 18374 11450 1 40 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.771 0.339 18374 11451 1 40 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.502 3.555 18374 11452 1 40 . 1 1 15 15 CYS H H 15 7.646 7.646 8.589 -0.943 18374 11453 1 40 . 1 1 16 16 GLY N N 16 117.749 117.749 116.549 1.200 18374 11454 1 40 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.212 -0.428 18374 11455 1 40 . 1 1 16 16 GLY H H 16 8.916 8.916 9.401 -0.485 18374 11456 1 40 . 1 1 17 17 VAL N N 17 122.602 122.602 120.352 2.250 18374 11457 1 40 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.025 -0.011 18374 11458 1 40 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.461 0.570 18374 11459 1 40 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.021 0.819 18374 11460 1 40 . 1 1 17 17 VAL H H 17 8.856 8.856 7.947 0.909 18374 11461 1 40 . 1 1 18 18 CYS N N 18 115.430 115.430 116.876 -1.446 18374 11462 1 40 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.717 0.209 18374 11463 1 40 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.557 -1.378 18374 11464 1 40 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.533 1.078 18374 11465 1 40 . 1 1 18 18 CYS H H 18 7.758 7.758 8.079 -0.321 18374 11466 1 40 . 1 1 19 19 GLY N N 19 113.040 113.040 108.972 4.068 18374 11467 1 40 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.425 0.931 18374 11468 1 40 . 1 1 19 19 GLY H H 19 8.029 8.029 8.876 -0.847 18374 11469 1 40 . 1 1 20 20 ASP N N 20 123.399 123.399 120.857 2.542 18374 11470 1 40 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.881 0.126 18374 11471 1 40 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.020 -0.506 18374 11472 1 40 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.618 0.924 18374 11473 1 40 . 1 1 20 20 ASP H H 20 8.722 8.722 7.755 0.967 18374 11474 1 40 . 1 1 21 21 GLY N N 21 111.371 111.371 108.350 3.021 18374 11475 1 40 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.102 0.005 18374 11476 1 40 . 1 1 21 21 GLY H H 21 8.667 8.667 8.651 0.016 18374 11477 1 40 . 1 1 22 22 THR N N 22 118.220 118.220 118.528 -0.308 18374 11478 1 40 . 1 1 22 22 THR HA H 22 3.979 3.979 4.263 -0.284 18374 11479 1 40 . 1 1 22 22 THR CA C 22 64.367 64.367 63.475 0.892 18374 11480 1 40 . 1 1 22 22 THR CB C 22 67.783 67.783 68.936 -1.153 18374 11481 1 40 . 1 1 22 22 THR H H 22 8.784 8.784 7.687 1.097 18374 11482 1 40 . 1 1 23 23 ASP N N 23 127.251 127.251 121.240 6.011 18374 11483 1 40 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.272 0.029 18374 11484 1 40 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.060 0.367 18374 11485 1 40 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.387 -0.348 18374 11486 1 40 . 1 1 23 23 ASP H H 23 9.376 9.376 8.804 0.572 18374 11487 1 40 . 1 1 24 24 VAL N N 24 111.371 111.371 118.421 -7.050 18374 11488 1 40 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.279 -0.719 18374 11489 1 40 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.369 0.347 18374 11490 1 40 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.873 -0.581 18374 11491 1 40 . 1 1 24 24 VAL H H 24 7.402 7.402 7.518 -0.116 18374 11492 1 40 . 1 1 25 25 LEU N N 25 123.908 123.908 128.652 -4.744 18374 11493 1 40 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.420 -0.081 18374 11494 1 40 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.315 -1.793 18374 11495 1 40 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.859 -0.417 18374 11496 1 40 . 1 1 25 25 LEU H H 25 8.328 8.328 8.384 -0.056 18374 11497 1 40 . 1 1 26 26 ARG N N 26 116.626 116.626 119.757 -3.131 18374 11498 1 40 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.392 -0.291 18374 11499 1 40 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.652 -0.997 18374 11500 1 40 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.936 -0.268 18374 11501 1 40 . 1 1 26 26 ARG H H 26 7.877 7.877 8.011 -0.134 18374 11502 1 40 . 1 1 27 27 CYS N N 27 126.328 126.328 124.271 2.057 18374 11503 1 40 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.670 -0.355 18374 11504 1 40 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.445 0.953 18374 11505 1 40 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.686 1.980 18374 11506 1 40 . 1 1 27 27 CYS H H 27 9.182 9.182 8.546 0.636 18374 11507 1 40 . 1 1 28 28 THR N N 28 122.470 122.470 122.255 0.215 18374 11508 1 40 . 1 1 28 28 THR HA H 28 4.166 4.166 4.406 -0.240 18374 11509 1 40 . 1 1 28 28 THR CA C 28 64.686 64.686 63.794 0.892 18374 11510 1 40 . 1 1 28 28 THR CB C 28 69.846 69.846 68.941 0.905 18374 11511 1 40 . 1 1 28 28 THR H H 28 8.956 8.956 8.955 0.001 18374 11512 1 40 . 1 1 29 29 HIS N N 29 123.908 123.908 119.632 4.276 18374 11513 1 40 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.632 0.277 18374 11514 1 40 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.369 0.735 18374 11515 1 40 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.121 -0.576 18374 11516 1 40 . 1 1 29 29 HIS H H 29 9.464 9.464 8.382 1.082 18374 11517 1 40 . 1 1 30 30 CYS N N 30 119.946 119.946 115.101 4.845 18374 11518 1 40 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.777 0.034 18374 11519 1 40 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.683 2.407 18374 11520 1 40 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.520 2.378 18374 11521 1 40 . 1 1 30 30 CYS H H 30 8.710 8.710 7.802 0.908 18374 11522 1 40 . 1 1 31 31 ALA N N 31 120.477 120.477 124.761 -4.284 18374 11523 1 40 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.499 -0.215 18374 11524 1 40 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.842 2.648 18374 11525 1 40 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.926 -1.508 18374 11526 1 40 . 1 1 31 31 ALA H H 31 7.626 7.626 8.344 -0.718 18374 11527 1 40 . 1 1 32 32 ALA N N 32 125.524 125.524 125.255 0.269 18374 11528 1 40 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.524 -0.278 18374 11529 1 40 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.503 1.337 18374 11530 1 40 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.107 -1.773 18374 11531 1 40 . 1 1 32 32 ALA H H 32 9.152 9.152 8.341 0.811 18374 11532 1 40 . 1 1 33 33 ALA N N 33 123.257 123.257 126.005 -2.748 18374 11533 1 40 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.706 -0.296 18374 11534 1 40 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.093 -0.287 18374 11535 1 40 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.484 -0.856 18374 11536 1 40 . 1 1 33 33 ALA H H 33 8.490 8.490 8.688 -0.198 18374 11537 1 40 . 1 1 34 34 PHE N N 34 118.220 118.220 121.260 -3.040 18374 11538 1 40 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.804 0.270 18374 11539 1 40 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.125 -0.363 18374 11540 1 40 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.150 -1.927 18374 11541 1 40 . 1 1 34 34 PHE H H 34 8.948 8.948 8.753 0.195 18374 11542 1 40 . 1 1 35 35 HIS N N 35 116.759 116.759 122.588 -5.829 18374 11543 1 40 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.767 0.119 18374 11544 1 40 . 1 1 35 35 HIS CA C 35 56.138 56.138 55.089 1.049 18374 11545 1 40 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.255 0.768 18374 11546 1 40 . 1 1 35 35 HIS H H 35 7.932 7.932 8.080 -0.148 18374 11547 1 40 . 1 1 36 36 TRP N N 36 127.649 127.649 126.939 0.710 18374 11548 1 40 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.535 -0.097 18374 11549 1 40 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.636 -0.263 18374 11550 1 40 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.886 -0.562 18374 11551 1 40 . 1 1 36 36 TRP H H 36 9.421 9.421 9.006 0.415 18374 11552 1 40 . 1 1 37 37 ARG N N 37 113.040 113.040 114.943 -1.903 18374 11553 1 40 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.425 -0.021 18374 11554 1 40 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.576 -1.103 18374 11555 1 40 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.685 -0.518 18374 11556 1 40 . 1 1 37 37 ARG H H 37 9.075 9.075 8.587 0.488 18374 11557 1 40 . 1 1 38 38 CYS N N 38 116.493 116.493 115.901 0.592 18374 11558 1 40 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.577 -0.359 18374 11559 1 40 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.212 2.247 18374 11560 1 40 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.049 2.627 18374 11561 1 40 . 1 1 38 38 CYS H H 38 7.169 7.169 7.850 -0.681 18374 11562 1 40 . 1 1 39 39 HIS N N 39 118.220 118.220 117.132 1.088 18374 11563 1 40 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.413 -0.190 18374 11564 1 40 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.050 1.426 18374 11565 1 40 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.297 3.043 18374 11566 1 40 . 1 1 39 39 HIS H H 39 7.562 7.562 7.647 -0.085 18374 11567 1 40 . 1 1 40 40 PHE N N 40 117.157 117.157 118.317 -1.160 18374 11568 1 40 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.692 0.091 18374 11569 1 40 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.606 -2.947 18374 11570 1 40 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.878 -0.071 18374 11571 1 40 . 1 1 40 40 PHE H H 40 8.282 8.282 8.435 -0.153 18374 11572 1 40 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.559 -0.072 18374 11573 1 40 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.526 0.693 18374 11574 1 40 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.383 -0.168 18374 11575 1 40 . 1 1 42 42 ALA N N 42 123.001 123.001 121.815 1.186 18374 11576 1 40 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.101 0.257 18374 11577 1 40 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.247 -1.234 18374 11578 1 40 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.433 0.208 18374 11579 1 40 . 1 1 42 42 ALA H H 42 8.635 8.635 8.541 0.094 18374 11580 1 40 . 1 1 43 43 GLY N N 43 108.291 108.291 103.997 4.294 18374 11581 1 40 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.453 0.013 18374 11582 1 40 . 1 1 43 43 GLY H H 43 8.529 8.529 8.227 0.302 18374 11583 1 40 . 1 1 44 44 THR N N 44 113.961 113.961 118.235 -4.274 18374 11584 1 40 . 1 1 44 44 THR HA H 44 4.424 4.424 4.670 -0.246 18374 11585 1 40 . 1 1 44 44 THR CA C 44 62.074 62.074 61.900 0.174 18374 11586 1 40 . 1 1 44 44 THR CB C 44 70.259 70.259 70.201 0.058 18374 11587 1 40 . 1 1 44 44 THR H H 44 7.971 7.971 7.824 0.147 18374 11588 1 40 . 1 1 45 45 SER N N 45 120.467 120.467 119.850 0.617 18374 11589 1 40 . 1 1 45 45 SER HA H 45 4.280 4.280 4.716 -0.436 18374 11590 1 40 . 1 1 45 45 SER CA C 45 58.274 58.274 57.549 0.725 18374 11591 1 40 . 1 1 45 45 SER CB C 45 63.906 63.906 63.975 -0.069 18374 11592 1 40 . 1 1 45 45 SER H H 45 8.644 8.644 8.699 -0.055 18374 11593 1 40 . 1 1 46 46 ARG N N 46 124.196 124.196 125.586 -1.390 18374 11594 1 40 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.479 0.441 18374 11595 1 40 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.431 -0.279 18374 11596 1 40 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.835 1.067 18374 11597 1 40 . 1 1 46 46 ARG H H 46 8.197 8.197 8.448 -0.251 18374 11598 1 40 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.377 -0.079 18374 11599 1 40 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.350 0.468 18374 11600 1 40 . 1 1 47 47 PRO CB C 47 32.186 32.186 33.005 -0.819 18374 11601 1 40 . 1 1 48 48 GLY N N 48 108.071 108.071 107.358 0.713 18374 11602 1 40 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.704 -0.025 18374 11603 1 40 . 1 1 48 48 GLY H H 48 8.492 8.492 8.377 0.115 18374 11604 1 40 . 1 1 49 49 THR N N 49 111.151 111.151 113.241 -2.090 18374 11605 1 40 . 1 1 49 49 THR HA H 49 4.377 4.377 4.367 0.010 18374 11606 1 40 . 1 1 49 49 THR CA C 49 60.690 60.690 61.338 -0.648 18374 11607 1 40 . 1 1 49 49 THR CB C 49 70.332 70.332 70.503 -0.171 18374 11608 1 40 . 1 1 49 49 THR H H 49 7.669 7.669 7.423 0.246 18374 11609 1 40 . 1 1 50 50 GLY N N 50 110.491 110.491 112.409 -1.918 18374 11610 1 40 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.254 0.927 18374 11611 1 40 . 1 1 50 50 GLY H H 50 8.459 8.459 8.606 -0.147 18374 11612 1 40 . 1 1 51 51 LEU N N 51 121.407 121.407 120.714 0.693 18374 11613 1 40 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.403 -0.121 18374 11614 1 40 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.814 1.554 18374 11615 1 40 . 1 1 51 51 LEU CB C 51 42.819 42.819 41.924 0.895 18374 11616 1 40 . 1 1 51 51 LEU H H 51 8.248 8.248 7.741 0.507 18374 11617 1 40 . 1 1 52 52 ARG N N 52 124.997 124.997 125.289 -0.292 18374 11618 1 40 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.898 0.949 18374 11619 1 40 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.784 -0.653 18374 11620 1 40 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.188 1.798 18374 11621 1 40 . 1 1 52 52 ARG H H 52 8.639 8.639 8.535 0.104 18374 11622 1 40 . 1 1 53 53 CYS N N 53 120.743 120.743 122.458 -1.715 18374 11623 1 40 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.268 -0.775 18374 11624 1 40 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.622 -0.418 18374 11625 1 40 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.056 1.722 18374 11626 1 40 . 1 1 53 53 CYS H H 53 8.933 8.933 8.611 0.322 18374 11627 1 40 . 1 1 54 54 ARG N N 54 121.407 121.407 120.200 1.207 18374 11628 1 40 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.936 -0.126 18374 11629 1 40 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.111 0.276 18374 11630 1 40 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.001 -1.118 18374 11631 1 40 . 1 1 54 54 ARG H H 54 10.380 10.380 8.578 1.802 18374 11632 1 40 . 1 1 55 55 SER N N 55 117.300 117.300 113.563 3.737 18374 11633 1 40 . 1 1 55 55 SER HA H 55 4.258 4.258 4.358 -0.100 18374 11634 1 40 . 1 1 55 55 SER CA C 55 61.216 61.216 60.870 0.346 18374 11635 1 40 . 1 1 55 55 SER CB C 55 62.830 62.830 63.627 -0.797 18374 11636 1 40 . 1 1 55 55 SER H H 55 8.228 8.228 8.084 0.144 18374 11637 1 40 . 1 1 56 56 CYS N N 56 122.602 122.602 119.970 2.632 18374 11638 1 40 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.412 -0.226 18374 11639 1 40 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.839 0.403 18374 11640 1 40 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.300 3.616 18374 11641 1 40 . 1 1 56 56 CYS H H 56 7.999 7.999 7.749 0.250 18374 11642 1 40 . 1 1 57 57 SER N N 57 115.430 115.430 113.238 2.192 18374 11643 1 40 . 1 1 57 57 SER HA H 57 4.266 4.266 4.590 -0.324 18374 11644 1 40 . 1 1 57 57 SER CA C 57 59.992 59.992 58.242 1.750 18374 11645 1 40 . 1 1 57 57 SER CB C 57 63.492 63.492 62.641 0.851 18374 11646 1 40 . 1 1 57 57 SER H H 57 7.938 7.938 7.946 -0.008 18374 11647 1 40 . 1 1 58 58 GLY N N 58 109.391 109.391 110.509 -1.118 18374 11648 1 40 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.540 -0.114 18374 11649 1 40 . 1 1 58 58 GLY H H 58 8.013 8.013 7.539 0.474 18374 11650 1 40 . 1 1 59 59 ASP N N 59 120.345 120.345 120.283 0.062 18374 11651 1 40 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.629 -0.038 18374 11652 1 40 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.227 1.065 18374 11653 1 40 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.192 -1.109 18374 11654 1 40 . 1 1 59 59 ASP H H 59 8.130 8.130 7.960 0.170 18374 11655 1 40 . 1 1 60 60 VAL N N 60 119.548 119.548 120.999 -1.451 18374 11656 1 40 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.266 -0.108 18374 11657 1 40 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.763 0.152 18374 11658 1 40 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.541 -0.026 18374 11659 1 40 . 1 1 60 60 VAL H H 60 8.072 8.072 8.268 -0.196 18374 11660 1 40 . 1 1 61 61 THR N N 61 121.407 121.407 121.549 -0.142 18374 11661 1 40 . 1 1 61 61 THR HA H 61 4.509 4.509 4.501 0.008 18374 11662 1 40 . 1 1 61 61 THR CA C 61 59.848 59.848 60.440 -0.592 18374 11663 1 40 . 1 1 61 61 THR CB C 61 69.602 69.602 68.821 0.781 18374 11664 1 40 . 1 1 61 61 THR H H 61 8.335 8.335 8.425 -0.090 18374 11665 1 40 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.502 -0.140 18374 11666 1 40 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.780 0.123 18374 11667 1 40 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.611 -0.662 18374 11668 1 40 . 1 1 63 63 ALA N N 63 125.923 125.923 126.074 -0.151 18374 11669 1 40 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.653 -0.115 18374 11670 1 40 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.986 0.282 18374 11671 1 40 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.674 -1.974 18374 11672 1 40 . 1 1 63 63 ALA H H 63 8.368 8.368 8.262 0.106 18374 11673 1 40 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.456 -0.046 18374 11674 1 40 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.008 -0.112 18374 11675 1 40 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.581 1.343 18374 11676 1 40 . 1 1 65 65 VAL N N 65 120.526 120.526 122.552 -2.026 18374 11677 1 40 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.121 -0.048 18374 11678 1 40 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.929 0.397 18374 11679 1 40 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.188 0.892 18374 11680 1 40 . 1 1 65 65 VAL H H 65 8.270 8.270 7.645 0.625 18374 11681 1 41 . 1 1 2 2 ALA N N 2 123.688 123.688 122.591 1.097 18374 11682 1 41 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.495 -0.197 18374 11683 1 41 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.384 0.326 18374 11684 1 41 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.822 -0.587 18374 11685 1 41 . 1 1 2 2 ALA H H 2 8.653 8.653 8.487 0.166 18374 11686 1 41 . 1 1 3 3 MET N N 3 119.289 119.289 117.361 1.928 18374 11687 1 41 . 1 1 3 3 MET HA H 3 4.426 4.426 4.585 -0.159 18374 11688 1 41 . 1 1 3 3 MET CA C 3 55.430 55.430 55.833 -0.403 18374 11689 1 41 . 1 1 3 3 MET CB C 3 32.532 32.532 33.271 -0.739 18374 11690 1 41 . 1 1 3 3 MET H H 3 8.545 8.545 7.766 0.779 18374 11691 1 41 . 1 1 4 4 GLU N N 4 122.149 122.149 123.109 -0.960 18374 11692 1 41 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.418 -0.174 18374 11693 1 41 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.870 1.161 18374 11694 1 41 . 1 1 4 4 GLU CB C 4 30.006 30.006 28.583 1.423 18374 11695 1 41 . 1 1 4 4 GLU H H 4 8.440 8.440 8.590 -0.150 18374 11696 1 41 . 1 1 5 5 GLY N N 5 110.051 110.051 109.432 0.619 18374 11697 1 41 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.403 0.005 18374 11698 1 41 . 1 1 5 5 GLY H H 5 8.500 8.500 7.759 0.741 18374 11699 1 41 . 1 1 6 6 GLN N N 6 119.509 119.509 118.550 0.959 18374 11700 1 41 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.478 -0.192 18374 11701 1 41 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.499 0.501 18374 11702 1 41 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.344 -0.136 18374 11703 1 41 . 1 1 6 6 GLN H H 6 8.242 8.242 8.593 -0.351 18374 11704 1 41 . 1 1 7 7 GLN N N 7 121.049 121.049 118.384 2.665 18374 11705 1 41 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.058 0.203 18374 11706 1 41 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.386 -0.283 18374 11707 1 41 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.028 1.176 18374 11708 1 41 . 1 1 7 7 GLN H H 7 8.534 8.534 8.451 0.083 18374 11709 1 41 . 1 1 8 8 ASN N N 8 119.289 119.289 117.064 2.225 18374 11710 1 41 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.733 -0.088 18374 11711 1 41 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.393 -0.286 18374 11712 1 41 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.449 -0.930 18374 11713 1 41 . 1 1 8 8 ASN H H 8 8.486 8.486 8.204 0.282 18374 11714 1 41 . 1 1 9 9 LEU N N 9 122.204 122.204 122.982 -0.778 18374 11715 1 41 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.549 -0.258 18374 11716 1 41 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.077 0.639 18374 11717 1 41 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.979 -0.582 18374 11718 1 41 . 1 1 9 9 LEU H H 9 8.145 8.145 7.869 0.276 18374 11719 1 41 . 1 1 10 10 ALA N N 10 126.188 126.188 129.781 -3.593 18374 11720 1 41 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.578 -0.046 18374 11721 1 41 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.385 -0.048 18374 11722 1 41 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.420 -0.627 18374 11723 1 41 . 1 1 10 10 ALA H H 10 8.324 8.324 8.435 -0.111 18374 11724 1 41 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.310 0.054 18374 11725 1 41 . 1 1 11 11 PRO CA C 11 63.908 63.908 64.016 -0.108 18374 11726 1 41 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.207 -0.338 18374 11727 1 41 . 1 1 12 12 GLY N N 12 108.951 108.951 105.803 3.148 18374 11728 1 41 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.378 -0.157 18374 11729 1 41 . 1 1 12 12 GLY H H 12 8.501 8.501 8.418 0.083 18374 11730 1 41 . 1 1 13 13 ALA N N 13 123.134 123.134 126.753 -3.619 18374 11731 1 41 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.489 -0.255 18374 11732 1 41 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.831 0.278 18374 11733 1 41 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.771 1.754 18374 11734 1 41 . 1 1 13 13 ALA H H 13 7.957 7.957 7.759 0.198 18374 11735 1 41 . 1 1 14 14 ARG N N 14 116.759 116.759 121.403 -4.644 18374 11736 1 41 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.405 -0.286 18374 11737 1 41 . 1 1 14 14 ARG CA C 14 53.810 53.810 56.055 -2.245 18374 11738 1 41 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.687 -1.234 18374 11739 1 41 . 1 1 14 14 ARG H H 14 7.990 7.990 7.807 0.183 18374 11740 1 41 . 1 1 15 15 CYS N N 15 123.688 123.688 126.047 -2.359 18374 11741 1 41 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.790 -0.773 18374 11742 1 41 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.014 0.096 18374 11743 1 41 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.610 4.447 18374 11744 1 41 . 1 1 15 15 CYS H H 15 7.646 7.646 9.052 -1.406 18374 11745 1 41 . 1 1 16 16 GLY N N 16 117.749 117.749 116.156 1.593 18374 11746 1 41 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.304 0.481 18374 11747 1 41 . 1 1 16 16 GLY H H 16 8.916 8.916 8.900 0.016 18374 11748 1 41 . 1 1 17 17 VAL N N 17 122.602 122.602 121.736 0.866 18374 11749 1 41 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.751 0.263 18374 11750 1 41 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.895 0.136 18374 11751 1 41 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.028 0.812 18374 11752 1 41 . 1 1 17 17 VAL H H 17 8.856 8.856 7.970 0.886 18374 11753 1 41 . 1 1 18 18 CYS N N 18 115.430 115.430 114.312 1.118 18374 11754 1 41 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.842 0.084 18374 11755 1 41 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.471 -0.292 18374 11756 1 41 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.194 1.417 18374 11757 1 41 . 1 1 18 18 CYS H H 18 7.758 7.758 8.196 -0.438 18374 11758 1 41 . 1 1 19 19 GLY N N 19 113.040 113.040 111.323 1.717 18374 11759 1 41 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.044 1.313 18374 11760 1 41 . 1 1 19 19 GLY H H 19 8.029 8.029 8.560 -0.531 18374 11761 1 41 . 1 1 20 20 ASP N N 20 123.399 123.399 120.042 3.357 18374 11762 1 41 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.971 0.035 18374 11763 1 41 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.586 0.928 18374 11764 1 41 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.397 1.145 18374 11765 1 41 . 1 1 20 20 ASP H H 20 8.722 8.722 7.621 1.101 18374 11766 1 41 . 1 1 21 21 GLY N N 21 111.371 111.371 109.561 1.810 18374 11767 1 41 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.907 0.200 18374 11768 1 41 . 1 1 21 21 GLY H H 21 8.667 8.667 8.521 0.146 18374 11769 1 41 . 1 1 22 22 THR N N 22 118.220 118.220 116.639 1.581 18374 11770 1 41 . 1 1 22 22 THR HA H 22 3.979 3.979 4.285 -0.306 18374 11771 1 41 . 1 1 22 22 THR CA C 22 64.367 64.367 63.717 0.650 18374 11772 1 41 . 1 1 22 22 THR CB C 22 67.783 67.783 69.048 -1.265 18374 11773 1 41 . 1 1 22 22 THR H H 22 8.784 8.784 8.110 0.674 18374 11774 1 41 . 1 1 23 23 ASP N N 23 127.251 127.251 122.816 4.435 18374 11775 1 41 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.349 -0.048 18374 11776 1 41 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.572 -0.145 18374 11777 1 41 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.133 -1.094 18374 11778 1 41 . 1 1 23 23 ASP H H 23 9.376 9.376 8.773 0.603 18374 11779 1 41 . 1 1 24 24 VAL N N 24 111.371 111.371 117.808 -6.437 18374 11780 1 41 . 1 1 24 24 VAL HA H 24 3.560 3.560 3.712 -0.152 18374 11781 1 41 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.198 1.518 18374 11782 1 41 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.167 -0.875 18374 11783 1 41 . 1 1 24 24 VAL H H 24 7.402 7.402 7.858 -0.456 18374 11784 1 41 . 1 1 25 25 LEU N N 25 123.908 123.908 125.923 -2.015 18374 11785 1 41 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.333 0.006 18374 11786 1 41 . 1 1 25 25 LEU CA C 25 52.522 52.522 54.191 -1.669 18374 11787 1 41 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.433 0.009 18374 11788 1 41 . 1 1 25 25 LEU H H 25 8.328 8.328 7.703 0.625 18374 11789 1 41 . 1 1 26 26 ARG N N 26 116.626 116.626 121.521 -4.895 18374 11790 1 41 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.053 0.048 18374 11791 1 41 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.781 -2.126 18374 11792 1 41 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.365 0.303 18374 11793 1 41 . 1 1 26 26 ARG H H 26 7.877 7.877 8.035 -0.158 18374 11794 1 41 . 1 1 27 27 CYS N N 27 126.328 126.328 125.768 0.560 18374 11795 1 41 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.958 -0.643 18374 11796 1 41 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.374 1.024 18374 11797 1 41 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.754 1.913 18374 11798 1 41 . 1 1 27 27 CYS H H 27 9.182 9.182 8.836 0.346 18374 11799 1 41 . 1 1 28 28 THR N N 28 122.470 122.470 121.779 0.691 18374 11800 1 41 . 1 1 28 28 THR HA H 28 4.166 4.166 4.423 -0.257 18374 11801 1 41 . 1 1 28 28 THR CA C 28 64.686 64.686 64.111 0.575 18374 11802 1 41 . 1 1 28 28 THR CB C 28 69.846 69.846 69.142 0.704 18374 11803 1 41 . 1 1 28 28 THR H H 28 8.956 8.956 9.158 -0.202 18374 11804 1 41 . 1 1 29 29 HIS N N 29 123.908 123.908 119.478 4.430 18374 11805 1 41 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.721 0.188 18374 11806 1 41 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.602 1.502 18374 11807 1 41 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.679 -0.134 18374 11808 1 41 . 1 1 29 29 HIS H H 29 9.464 9.464 8.839 0.625 18374 11809 1 41 . 1 1 30 30 CYS N N 30 119.946 119.946 115.333 4.613 18374 11810 1 41 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.897 -0.086 18374 11811 1 41 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.195 2.895 18374 11812 1 41 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.751 2.147 18374 11813 1 41 . 1 1 30 30 CYS H H 30 8.710 8.710 7.530 1.180 18374 11814 1 41 . 1 1 31 31 ALA N N 31 120.477 120.477 124.839 -4.362 18374 11815 1 41 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.526 -0.242 18374 11816 1 41 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.543 2.947 18374 11817 1 41 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.543 -2.125 18374 11818 1 41 . 1 1 31 31 ALA H H 31 7.626 7.626 8.313 -0.687 18374 11819 1 41 . 1 1 32 32 ALA N N 32 125.524 125.524 124.846 0.678 18374 11820 1 41 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.554 -0.308 18374 11821 1 41 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.218 1.622 18374 11822 1 41 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.979 -1.645 18374 11823 1 41 . 1 1 32 32 ALA H H 32 9.152 9.152 8.234 0.918 18374 11824 1 41 . 1 1 33 33 ALA N N 33 123.257 123.257 125.369 -2.112 18374 11825 1 41 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.613 -0.203 18374 11826 1 41 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.232 -0.426 18374 11827 1 41 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.680 -1.052 18374 11828 1 41 . 1 1 33 33 ALA H H 33 8.490 8.490 8.673 -0.183 18374 11829 1 41 . 1 1 34 34 PHE N N 34 118.220 118.220 119.649 -1.429 18374 11830 1 41 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.818 0.256 18374 11831 1 41 . 1 1 34 34 PHE CA C 34 55.762 55.762 55.962 -0.200 18374 11832 1 41 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.758 -1.536 18374 11833 1 41 . 1 1 34 34 PHE H H 34 8.948 8.948 8.760 0.188 18374 11834 1 41 . 1 1 35 35 HIS N N 35 116.759 116.759 122.367 -5.608 18374 11835 1 41 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.762 0.124 18374 11836 1 41 . 1 1 35 35 HIS CA C 35 56.138 56.138 55.570 0.568 18374 11837 1 41 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.579 0.444 18374 11838 1 41 . 1 1 35 35 HIS H H 35 7.932 7.932 8.241 -0.309 18374 11839 1 41 . 1 1 36 36 TRP N N 36 127.649 127.649 126.120 1.529 18374 11840 1 41 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.610 -0.172 18374 11841 1 41 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.267 0.106 18374 11842 1 41 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.886 -0.562 18374 11843 1 41 . 1 1 36 36 TRP H H 36 9.421 9.421 9.081 0.340 18374 11844 1 41 . 1 1 37 37 ARG N N 37 113.040 113.040 117.711 -4.671 18374 11845 1 41 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.418 -0.014 18374 11846 1 41 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.996 -1.523 18374 11847 1 41 . 1 1 37 37 ARG CB C 37 29.167 29.167 30.009 -0.842 18374 11848 1 41 . 1 1 37 37 ARG H H 37 9.075 9.075 8.460 0.615 18374 11849 1 41 . 1 1 38 38 CYS N N 38 116.493 116.493 114.288 2.205 18374 11850 1 41 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.542 -0.324 18374 11851 1 41 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.041 2.418 18374 11852 1 41 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.457 3.219 18374 11853 1 41 . 1 1 38 38 CYS H H 38 7.169 7.169 8.347 -1.178 18374 11854 1 41 . 1 1 39 39 HIS N N 39 118.220 118.220 116.159 2.061 18374 11855 1 41 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.344 -0.121 18374 11856 1 41 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.895 1.581 18374 11857 1 41 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.314 4.026 18374 11858 1 41 . 1 1 39 39 HIS H H 39 7.562 7.562 7.537 0.025 18374 11859 1 41 . 1 1 40 40 PHE N N 40 117.157 117.157 118.085 -0.928 18374 11860 1 41 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.791 -0.008 18374 11861 1 41 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.926 -2.267 18374 11862 1 41 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.663 -0.856 18374 11863 1 41 . 1 1 40 40 PHE H H 40 8.282 8.282 8.308 -0.026 18374 11864 1 41 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.599 -0.112 18374 11865 1 41 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.679 0.540 18374 11866 1 41 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.559 -0.344 18374 11867 1 41 . 1 1 42 42 ALA N N 42 123.001 123.001 122.915 0.086 18374 11868 1 41 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.312 0.046 18374 11869 1 41 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.965 -0.952 18374 11870 1 41 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.855 -0.214 18374 11871 1 41 . 1 1 42 42 ALA H H 42 8.635 8.635 8.501 0.134 18374 11872 1 41 . 1 1 43 43 GLY N N 43 108.291 108.291 105.801 2.490 18374 11873 1 41 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.399 0.067 18374 11874 1 41 . 1 1 43 43 GLY H H 43 8.529 8.529 8.178 0.351 18374 11875 1 41 . 1 1 44 44 THR N N 44 113.961 113.961 117.976 -4.015 18374 11876 1 41 . 1 1 44 44 THR HA H 44 4.424 4.424 4.646 -0.222 18374 11877 1 41 . 1 1 44 44 THR CA C 44 62.074 62.074 62.144 -0.070 18374 11878 1 41 . 1 1 44 44 THR CB C 44 70.259 70.259 70.383 -0.124 18374 11879 1 41 . 1 1 44 44 THR H H 44 7.971 7.971 7.854 0.117 18374 11880 1 41 . 1 1 45 45 SER N N 45 120.467 120.467 119.051 1.416 18374 11881 1 41 . 1 1 45 45 SER HA H 45 4.280 4.280 4.576 -0.296 18374 11882 1 41 . 1 1 45 45 SER CA C 45 58.274 58.274 57.420 0.854 18374 11883 1 41 . 1 1 45 45 SER CB C 45 63.906 63.906 63.931 -0.026 18374 11884 1 41 . 1 1 45 45 SER H H 45 8.644 8.644 8.652 -0.008 18374 11885 1 41 . 1 1 46 46 ARG N N 46 124.196 124.196 126.302 -2.106 18374 11886 1 41 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.046 0.874 18374 11887 1 41 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.274 -0.122 18374 11888 1 41 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.871 0.031 18374 11889 1 41 . 1 1 46 46 ARG H H 46 8.197 8.197 8.336 -0.139 18374 11890 1 41 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.464 -0.166 18374 11891 1 41 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.402 0.416 18374 11892 1 41 . 1 1 47 47 PRO CB C 47 32.186 32.186 33.077 -0.891 18374 11893 1 41 . 1 1 48 48 GLY N N 48 108.071 108.071 106.737 1.334 18374 11894 1 41 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.534 0.145 18374 11895 1 41 . 1 1 48 48 GLY H H 48 8.492 8.492 8.375 0.117 18374 11896 1 41 . 1 1 49 49 THR N N 49 111.151 111.151 112.551 -1.400 18374 11897 1 41 . 1 1 49 49 THR HA H 49 4.377 4.377 4.497 -0.120 18374 11898 1 41 . 1 1 49 49 THR CA C 49 60.690 60.690 60.829 -0.139 18374 11899 1 41 . 1 1 49 49 THR CB C 49 70.332 70.332 70.077 0.255 18374 11900 1 41 . 1 1 49 49 THR H H 49 7.669 7.669 7.357 0.312 18374 11901 1 41 . 1 1 50 50 GLY N N 50 110.491 110.491 113.530 -3.039 18374 11902 1 41 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.101 1.080 18374 11903 1 41 . 1 1 50 50 GLY H H 50 8.459 8.459 8.554 -0.095 18374 11904 1 41 . 1 1 51 51 LEU N N 51 121.407 121.407 121.539 -0.132 18374 11905 1 41 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.692 -0.410 18374 11906 1 41 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.859 1.509 18374 11907 1 41 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.010 0.809 18374 11908 1 41 . 1 1 51 51 LEU H H 51 8.248 8.248 8.064 0.184 18374 11909 1 41 . 1 1 52 52 ARG N N 52 124.997 124.997 122.623 2.374 18374 11910 1 41 . 1 1 52 52 ARG HA H 52 5.847 5.847 5.079 0.768 18374 11911 1 41 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.165 -0.034 18374 11912 1 41 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.531 2.454 18374 11913 1 41 . 1 1 52 52 ARG H H 52 8.639 8.639 8.547 0.092 18374 11914 1 41 . 1 1 53 53 CYS N N 53 120.743 120.743 121.899 -1.156 18374 11915 1 41 . 1 1 53 53 CYS HA H 53 3.493 3.493 3.359 0.134 18374 11916 1 41 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.816 0.388 18374 11917 1 41 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.563 1.216 18374 11918 1 41 . 1 1 53 53 CYS H H 53 8.933 8.933 8.420 0.513 18374 11919 1 41 . 1 1 54 54 ARG N N 54 121.407 121.407 119.736 1.671 18374 11920 1 41 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.868 -0.058 18374 11921 1 41 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.346 0.041 18374 11922 1 41 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.625 -0.742 18374 11923 1 41 . 1 1 54 54 ARG H H 54 10.380 10.380 8.639 1.741 18374 11924 1 41 . 1 1 55 55 SER N N 55 117.300 117.300 115.836 1.464 18374 11925 1 41 . 1 1 55 55 SER HA H 55 4.258 4.258 4.279 -0.021 18374 11926 1 41 . 1 1 55 55 SER CA C 55 61.216 61.216 61.218 -0.002 18374 11927 1 41 . 1 1 55 55 SER CB C 55 62.830 62.830 63.025 -0.195 18374 11928 1 41 . 1 1 55 55 SER H H 55 8.228 8.228 8.205 0.023 18374 11929 1 41 . 1 1 56 56 CYS N N 56 122.602 122.602 120.570 2.032 18374 11930 1 41 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.315 -0.129 18374 11931 1 41 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.266 -0.024 18374 11932 1 41 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.919 3.997 18374 11933 1 41 . 1 1 56 56 CYS H H 56 7.999 7.999 7.804 0.195 18374 11934 1 41 . 1 1 57 57 SER N N 57 115.430 115.430 114.556 0.874 18374 11935 1 41 . 1 1 57 57 SER HA H 57 4.266 4.266 4.392 -0.126 18374 11936 1 41 . 1 1 57 57 SER CA C 57 59.992 59.992 59.546 0.446 18374 11937 1 41 . 1 1 57 57 SER CB C 57 63.492 63.492 63.445 0.047 18374 11938 1 41 . 1 1 57 57 SER H H 57 7.938 7.938 8.064 -0.126 18374 11939 1 41 . 1 1 58 58 GLY N N 58 109.391 109.391 109.745 -0.354 18374 11940 1 41 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.457 0.969 18374 11941 1 41 . 1 1 58 58 GLY H H 58 8.013 8.013 7.262 0.751 18374 11942 1 41 . 1 1 59 59 ASP N N 59 120.345 120.345 121.411 -1.066 18374 11943 1 41 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.576 0.015 18374 11944 1 41 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.597 0.695 18374 11945 1 41 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.864 -0.781 18374 11946 1 41 . 1 1 59 59 ASP H H 59 8.130 8.130 8.280 -0.150 18374 11947 1 41 . 1 1 60 60 VAL N N 60 119.548 119.548 119.930 -0.382 18374 11948 1 41 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.312 -0.154 18374 11949 1 41 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.453 0.462 18374 11950 1 41 . 1 1 60 60 VAL CB C 60 32.515 32.515 33.721 -1.206 18374 11951 1 41 . 1 1 60 60 VAL H H 60 8.072 8.072 8.250 -0.178 18374 11952 1 41 . 1 1 61 61 THR N N 61 121.407 121.407 120.414 0.993 18374 11953 1 41 . 1 1 61 61 THR HA H 61 4.509 4.509 4.611 -0.102 18374 11954 1 41 . 1 1 61 61 THR CA C 61 59.848 59.848 60.295 -0.447 18374 11955 1 41 . 1 1 61 61 THR CB C 61 69.602 69.602 68.422 1.180 18374 11956 1 41 . 1 1 61 61 THR H H 61 8.335 8.335 8.336 -0.001 18374 11957 1 41 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.391 -0.029 18374 11958 1 41 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.324 -0.421 18374 11959 1 41 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.355 -0.406 18374 11960 1 41 . 1 1 63 63 ALA N N 63 125.923 125.923 128.451 -2.528 18374 11961 1 41 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.643 -0.105 18374 11962 1 41 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.137 0.131 18374 11963 1 41 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.361 -1.661 18374 11964 1 41 . 1 1 63 63 ALA H H 63 8.368 8.368 8.155 0.213 18374 11965 1 41 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.439 -0.029 18374 11966 1 41 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.871 0.026 18374 11967 1 41 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.044 1.880 18374 11968 1 41 . 1 1 65 65 VAL N N 65 120.526 120.526 121.148 -0.622 18374 11969 1 41 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.259 -0.186 18374 11970 1 41 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.484 0.842 18374 11971 1 41 . 1 1 65 65 VAL CB C 65 32.080 32.080 34.644 -2.564 18374 11972 1 41 . 1 1 65 65 VAL H H 65 8.270 8.270 7.998 0.272 18374 11973 1 42 . 1 1 2 2 ALA N N 2 123.688 123.688 123.842 -0.154 18374 11974 1 42 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.310 -0.012 18374 11975 1 42 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.257 -0.547 18374 11976 1 42 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.202 0.033 18374 11977 1 42 . 1 1 2 2 ALA H H 2 8.653 8.653 8.446 0.207 18374 11978 1 42 . 1 1 3 3 MET N N 3 119.289 119.289 114.136 5.153 18374 11979 1 42 . 1 1 3 3 MET HA H 3 4.426 4.426 4.721 -0.295 18374 11980 1 42 . 1 1 3 3 MET CA C 3 55.430 55.430 54.557 0.873 18374 11981 1 42 . 1 1 3 3 MET CB C 3 32.532 32.532 33.395 -0.863 18374 11982 1 42 . 1 1 3 3 MET H H 3 8.545 8.545 7.770 0.775 18374 11983 1 42 . 1 1 4 4 GLU N N 4 122.149 122.149 120.836 1.313 18374 11984 1 42 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.116 0.128 18374 11985 1 42 . 1 1 4 4 GLU CA C 4 57.031 57.031 57.768 -0.737 18374 11986 1 42 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.434 0.572 18374 11987 1 42 . 1 1 4 4 GLU H H 4 8.440 8.440 8.172 0.268 18374 11988 1 42 . 1 1 5 5 GLY N N 5 110.051 110.051 113.929 -3.878 18374 11989 1 42 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.235 0.173 18374 11990 1 42 . 1 1 5 5 GLY H H 5 8.500 8.500 8.915 -0.415 18374 11991 1 42 . 1 1 6 6 GLN N N 6 119.509 119.509 120.189 -0.680 18374 11992 1 42 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.338 -0.052 18374 11993 1 42 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.779 0.221 18374 11994 1 42 . 1 1 6 6 GLN CB C 6 29.208 29.208 30.075 -0.867 18374 11995 1 42 . 1 1 6 6 GLN H H 6 8.242 8.242 7.866 0.376 18374 11996 1 42 . 1 1 7 7 GLN N N 7 121.049 121.049 119.058 1.991 18374 11997 1 42 . 1 1 7 7 GLN HA H 7 4.261 4.261 3.938 0.323 18374 11998 1 42 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.834 0.270 18374 11999 1 42 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.320 1.884 18374 12000 1 42 . 1 1 7 7 GLN H H 7 8.534 8.534 8.041 0.493 18374 12001 1 42 . 1 1 8 8 ASN N N 8 119.289 119.289 118.032 1.257 18374 12002 1 42 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.648 -0.003 18374 12003 1 42 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.647 -0.540 18374 12004 1 42 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.924 -0.405 18374 12005 1 42 . 1 1 8 8 ASN H H 8 8.486 8.486 7.972 0.514 18374 12006 1 42 . 1 1 9 9 LEU N N 9 122.204 122.204 124.461 -2.257 18374 12007 1 42 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.280 0.011 18374 12008 1 42 . 1 1 9 9 LEU CA C 9 54.716 54.716 55.543 -0.827 18374 12009 1 42 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.166 1.231 18374 12010 1 42 . 1 1 9 9 LEU H H 9 8.145 8.145 8.605 -0.460 18374 12011 1 42 . 1 1 10 10 ALA N N 10 126.188 126.188 130.970 -4.782 18374 12012 1 42 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.759 -0.227 18374 12013 1 42 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.972 0.365 18374 12014 1 42 . 1 1 10 10 ALA CB C 10 17.793 17.793 19.066 -1.273 18374 12015 1 42 . 1 1 10 10 ALA H H 10 8.324 8.324 8.498 -0.174 18374 12016 1 42 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.343 0.021 18374 12017 1 42 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.688 0.220 18374 12018 1 42 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.900 -0.031 18374 12019 1 42 . 1 1 12 12 GLY N N 12 108.951 108.951 108.117 0.834 18374 12020 1 42 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.956 0.265 18374 12021 1 42 . 1 1 12 12 GLY H H 12 8.501 8.501 8.258 0.243 18374 12022 1 42 . 1 1 13 13 ALA N N 13 123.134 123.134 124.829 -1.695 18374 12023 1 42 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.327 -0.093 18374 12024 1 42 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.780 0.329 18374 12025 1 42 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.417 2.108 18374 12026 1 42 . 1 1 13 13 ALA H H 13 7.957 7.957 7.541 0.416 18374 12027 1 42 . 1 1 14 14 ARG N N 14 116.759 116.759 121.141 -4.382 18374 12028 1 42 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.378 -0.259 18374 12029 1 42 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.958 -2.148 18374 12030 1 42 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.841 -1.388 18374 12031 1 42 . 1 1 14 14 ARG H H 14 7.990 7.990 7.802 0.188 18374 12032 1 42 . 1 1 15 15 CYS N N 15 123.688 123.688 126.708 -3.020 18374 12033 1 42 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.793 -0.776 18374 12034 1 42 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.748 0.362 18374 12035 1 42 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.793 4.264 18374 12036 1 42 . 1 1 15 15 CYS H H 15 7.646 7.646 8.474 -0.828 18374 12037 1 42 . 1 1 16 16 GLY N N 16 117.749 117.749 114.922 2.827 18374 12038 1 42 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.462 0.324 18374 12039 1 42 . 1 1 16 16 GLY H H 16 8.916 8.916 8.795 0.121 18374 12040 1 42 . 1 1 17 17 VAL N N 17 122.602 122.602 120.201 2.401 18374 12041 1 42 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.757 0.257 18374 12042 1 42 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.551 0.480 18374 12043 1 42 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.961 0.879 18374 12044 1 42 . 1 1 17 17 VAL H H 17 8.856 8.856 8.038 0.818 18374 12045 1 42 . 1 1 18 18 CYS N N 18 115.430 115.430 114.147 1.283 18374 12046 1 42 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.931 -0.005 18374 12047 1 42 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.596 -0.417 18374 12048 1 42 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.304 0.307 18374 12049 1 42 . 1 1 18 18 CYS H H 18 7.758 7.758 8.027 -0.269 18374 12050 1 42 . 1 1 19 19 GLY N N 19 113.040 113.040 110.366 2.674 18374 12051 1 42 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.125 1.232 18374 12052 1 42 . 1 1 19 19 GLY H H 19 8.029 8.029 8.587 -0.558 18374 12053 1 42 . 1 1 20 20 ASP N N 20 123.399 123.399 122.693 0.706 18374 12054 1 42 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.880 0.127 18374 12055 1 42 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.944 -1.430 18374 12056 1 42 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.437 2.105 18374 12057 1 42 . 1 1 20 20 ASP H H 20 8.722 8.722 7.829 0.893 18374 12058 1 42 . 1 1 21 21 GLY N N 21 111.371 111.371 108.936 2.435 18374 12059 1 42 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.157 -0.050 18374 12060 1 42 . 1 1 21 21 GLY H H 21 8.667 8.667 8.552 0.115 18374 12061 1 42 . 1 1 22 22 THR N N 22 118.220 118.220 116.513 1.707 18374 12062 1 42 . 1 1 22 22 THR HA H 22 3.979 3.979 4.332 -0.353 18374 12063 1 42 . 1 1 22 22 THR CA C 22 64.367 64.367 62.896 1.471 18374 12064 1 42 . 1 1 22 22 THR CB C 22 67.783 67.783 69.462 -1.679 18374 12065 1 42 . 1 1 22 22 THR H H 22 8.784 8.784 7.577 1.207 18374 12066 1 42 . 1 1 23 23 ASP N N 23 127.251 127.251 122.914 4.337 18374 12067 1 42 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.362 -0.061 18374 12068 1 42 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.905 0.522 18374 12069 1 42 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.539 -1.500 18374 12070 1 42 . 1 1 23 23 ASP H H 23 9.376 9.376 8.898 0.478 18374 12071 1 42 . 1 1 24 24 VAL N N 24 111.371 111.371 111.285 0.086 18374 12072 1 42 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.510 -0.950 18374 12073 1 42 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.080 1.636 18374 12074 1 42 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.676 -0.384 18374 12075 1 42 . 1 1 24 24 VAL H H 24 7.402 7.402 7.848 -0.446 18374 12076 1 42 . 1 1 25 25 LEU N N 25 123.908 123.908 123.993 -0.085 18374 12077 1 42 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.502 -0.163 18374 12078 1 42 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.963 -1.441 18374 12079 1 42 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.353 -0.911 18374 12080 1 42 . 1 1 25 25 LEU H H 25 8.328 8.328 8.810 -0.482 18374 12081 1 42 . 1 1 26 26 ARG N N 26 116.626 116.626 122.046 -5.420 18374 12082 1 42 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.136 -0.035 18374 12083 1 42 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.512 -1.857 18374 12084 1 42 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.238 0.430 18374 12085 1 42 . 1 1 26 26 ARG H H 26 7.877 7.877 8.151 -0.274 18374 12086 1 42 . 1 1 27 27 CYS N N 27 126.328 126.328 126.692 -0.364 18374 12087 1 42 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.875 -0.560 18374 12088 1 42 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.276 1.122 18374 12089 1 42 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.582 2.085 18374 12090 1 42 . 1 1 27 27 CYS H H 27 9.182 9.182 8.538 0.644 18374 12091 1 42 . 1 1 28 28 THR N N 28 122.470 122.470 121.999 0.471 18374 12092 1 42 . 1 1 28 28 THR HA H 28 4.166 4.166 4.421 -0.255 18374 12093 1 42 . 1 1 28 28 THR CA C 28 64.686 64.686 64.326 0.360 18374 12094 1 42 . 1 1 28 28 THR CB C 28 69.846 69.846 69.235 0.611 18374 12095 1 42 . 1 1 28 28 THR H H 28 8.956 8.956 9.070 -0.114 18374 12096 1 42 . 1 1 29 29 HIS N N 29 123.908 123.908 119.164 4.744 18374 12097 1 42 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.592 0.317 18374 12098 1 42 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.051 1.052 18374 12099 1 42 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.939 -0.394 18374 12100 1 42 . 1 1 29 29 HIS H H 29 9.464 9.464 8.578 0.886 18374 12101 1 42 . 1 1 30 30 CYS N N 30 119.946 119.946 114.605 5.341 18374 12102 1 42 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.767 0.044 18374 12103 1 42 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.684 2.406 18374 12104 1 42 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.590 2.308 18374 12105 1 42 . 1 1 30 30 CYS H H 30 8.710 8.710 7.786 0.924 18374 12106 1 42 . 1 1 31 31 ALA N N 31 120.477 120.477 124.683 -4.206 18374 12107 1 42 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.497 -0.213 18374 12108 1 42 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.763 2.727 18374 12109 1 42 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.014 -1.596 18374 12110 1 42 . 1 1 31 31 ALA H H 31 7.626 7.626 8.336 -0.710 18374 12111 1 42 . 1 1 32 32 ALA N N 32 125.524 125.524 126.322 -0.798 18374 12112 1 42 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.497 -0.251 18374 12113 1 42 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.578 1.262 18374 12114 1 42 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.813 -1.479 18374 12115 1 42 . 1 1 32 32 ALA H H 32 9.152 9.152 8.271 0.881 18374 12116 1 42 . 1 1 33 33 ALA N N 33 123.257 123.257 127.958 -4.701 18374 12117 1 42 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.606 -0.196 18374 12118 1 42 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.213 -0.407 18374 12119 1 42 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.442 -0.814 18374 12120 1 42 . 1 1 33 33 ALA H H 33 8.490 8.490 8.611 -0.121 18374 12121 1 42 . 1 1 34 34 PHE N N 34 118.220 118.220 119.670 -1.450 18374 12122 1 42 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.873 0.201 18374 12123 1 42 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.092 -0.330 18374 12124 1 42 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.971 -1.749 18374 12125 1 42 . 1 1 34 34 PHE H H 34 8.948 8.948 8.647 0.301 18374 12126 1 42 . 1 1 35 35 HIS N N 35 116.759 116.759 120.248 -3.489 18374 12127 1 42 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.897 -0.011 18374 12128 1 42 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.605 1.533 18374 12129 1 42 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.037 -0.014 18374 12130 1 42 . 1 1 35 35 HIS H H 35 7.932 7.932 8.052 -0.120 18374 12131 1 42 . 1 1 36 36 TRP N N 36 127.649 127.649 127.022 0.627 18374 12132 1 42 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.592 -0.154 18374 12133 1 42 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.517 -0.144 18374 12134 1 42 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.965 -0.641 18374 12135 1 42 . 1 1 36 36 TRP H H 36 9.421 9.421 9.071 0.350 18374 12136 1 42 . 1 1 37 37 ARG N N 37 113.040 113.040 117.354 -4.314 18374 12137 1 42 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.322 0.082 18374 12138 1 42 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.128 -1.655 18374 12139 1 42 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.572 -0.405 18374 12140 1 42 . 1 1 37 37 ARG H H 37 9.075 9.075 8.568 0.507 18374 12141 1 42 . 1 1 38 38 CYS N N 38 116.493 116.493 114.359 2.134 18374 12142 1 42 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.464 -0.246 18374 12143 1 42 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.514 1.945 18374 12144 1 42 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.269 3.407 18374 12145 1 42 . 1 1 38 38 CYS H H 38 7.169 7.169 8.433 -1.264 18374 12146 1 42 . 1 1 39 39 HIS N N 39 118.220 118.220 117.259 0.961 18374 12147 1 42 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.273 -0.050 18374 12148 1 42 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.804 0.672 18374 12149 1 42 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.690 3.650 18374 12150 1 42 . 1 1 39 39 HIS H H 39 7.562 7.562 7.466 0.096 18374 12151 1 42 . 1 1 40 40 PHE N N 40 117.157 117.157 116.571 0.586 18374 12152 1 42 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.717 0.066 18374 12153 1 42 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.132 -2.473 18374 12154 1 42 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.302 -1.495 18374 12155 1 42 . 1 1 40 40 PHE H H 40 8.282 8.282 8.147 0.135 18374 12156 1 42 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.720 -0.233 18374 12157 1 42 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.282 0.937 18374 12158 1 42 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.839 -0.624 18374 12159 1 42 . 1 1 42 42 ALA N N 42 123.001 123.001 121.959 1.042 18374 12160 1 42 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.219 0.139 18374 12161 1 42 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.602 -1.589 18374 12162 1 42 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.707 -0.066 18374 12163 1 42 . 1 1 42 42 ALA H H 42 8.635 8.635 8.548 0.087 18374 12164 1 42 . 1 1 43 43 GLY N N 43 108.291 108.291 105.122 3.169 18374 12165 1 42 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.527 -0.061 18374 12166 1 42 . 1 1 43 43 GLY H H 43 8.529 8.529 8.371 0.158 18374 12167 1 42 . 1 1 44 44 THR N N 44 113.961 113.961 119.152 -5.191 18374 12168 1 42 . 1 1 44 44 THR HA H 44 4.424 4.424 4.411 0.013 18374 12169 1 42 . 1 1 44 44 THR CA C 44 62.074 62.074 62.342 -0.267 18374 12170 1 42 . 1 1 44 44 THR CB C 44 70.259 70.259 69.577 0.682 18374 12171 1 42 . 1 1 44 44 THR H H 44 7.971 7.971 7.765 0.206 18374 12172 1 42 . 1 1 45 45 SER N N 45 120.467 120.467 120.158 0.309 18374 12173 1 42 . 1 1 45 45 SER HA H 45 4.280 4.280 4.665 -0.385 18374 12174 1 42 . 1 1 45 45 SER CA C 45 58.274 58.274 57.952 0.322 18374 12175 1 42 . 1 1 45 45 SER CB C 45 63.906 63.906 64.278 -0.371 18374 12176 1 42 . 1 1 45 45 SER H H 45 8.644 8.644 8.515 0.129 18374 12177 1 42 . 1 1 46 46 ARG N N 46 124.196 124.196 123.621 0.575 18374 12178 1 42 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.970 -0.050 18374 12179 1 42 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.231 -0.079 18374 12180 1 42 . 1 1 46 46 ARG CB C 46 29.902 29.902 30.372 -0.470 18374 12181 1 42 . 1 1 46 46 ARG H H 46 8.197 8.197 8.195 0.002 18374 12182 1 42 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.467 -0.169 18374 12183 1 42 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.486 0.332 18374 12184 1 42 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.357 -0.171 18374 12185 1 42 . 1 1 48 48 GLY N N 48 108.071 108.071 109.057 -0.986 18374 12186 1 42 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.324 0.355 18374 12187 1 42 . 1 1 48 48 GLY H H 48 8.492 8.492 8.539 -0.047 18374 12188 1 42 . 1 1 49 49 THR N N 49 111.151 111.151 113.393 -2.242 18374 12189 1 42 . 1 1 49 49 THR HA H 49 4.377 4.377 4.384 -0.007 18374 12190 1 42 . 1 1 49 49 THR CA C 49 60.690 60.690 61.292 -0.603 18374 12191 1 42 . 1 1 49 49 THR CB C 49 70.332 70.332 70.293 0.039 18374 12192 1 42 . 1 1 49 49 THR H H 49 7.669 7.669 7.365 0.304 18374 12193 1 42 . 1 1 50 50 GLY N N 50 110.491 110.491 116.580 -6.089 18374 12194 1 42 . 1 1 50 50 GLY CA C 50 46.181 46.181 45.025 1.156 18374 12195 1 42 . 1 1 50 50 GLY H H 50 8.459 8.459 8.490 -0.031 18374 12196 1 42 . 1 1 51 51 LEU N N 51 121.407 121.407 120.040 1.367 18374 12197 1 42 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.321 -0.039 18374 12198 1 42 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.206 1.163 18374 12199 1 42 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.217 0.602 18374 12200 1 42 . 1 1 51 51 LEU H H 51 8.248 8.248 8.202 0.046 18374 12201 1 42 . 1 1 52 52 ARG N N 52 124.997 124.997 125.316 -0.319 18374 12202 1 42 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.767 1.080 18374 12203 1 42 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.830 -0.699 18374 12204 1 42 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.877 2.108 18374 12205 1 42 . 1 1 52 52 ARG H H 52 8.639 8.639 8.355 0.284 18374 12206 1 42 . 1 1 53 53 CYS N N 53 120.743 120.743 121.529 -0.786 18374 12207 1 42 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.098 -0.605 18374 12208 1 42 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.289 -0.085 18374 12209 1 42 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.044 1.736 18374 12210 1 42 . 1 1 53 53 CYS H H 53 8.933 8.933 8.521 0.412 18374 12211 1 42 . 1 1 54 54 ARG N N 54 121.407 121.407 120.104 1.303 18374 12212 1 42 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.111 -0.301 18374 12213 1 42 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.894 -0.506 18374 12214 1 42 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.265 -1.382 18374 12215 1 42 . 1 1 54 54 ARG H H 54 10.380 10.380 8.551 1.829 18374 12216 1 42 . 1 1 55 55 SER N N 55 117.300 117.300 115.056 2.244 18374 12217 1 42 . 1 1 55 55 SER HA H 55 4.258 4.258 4.289 -0.031 18374 12218 1 42 . 1 1 55 55 SER CA C 55 61.216 61.216 61.350 -0.134 18374 12219 1 42 . 1 1 55 55 SER CB C 55 62.830 62.830 62.908 -0.078 18374 12220 1 42 . 1 1 55 55 SER H H 55 8.228 8.228 8.133 0.095 18374 12221 1 42 . 1 1 56 56 CYS N N 56 122.602 122.602 120.968 1.634 18374 12222 1 42 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.396 -0.210 18374 12223 1 42 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.993 0.249 18374 12224 1 42 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.810 4.106 18374 12225 1 42 . 1 1 56 56 CYS H H 56 7.999 7.999 7.823 0.176 18374 12226 1 42 . 1 1 57 57 SER N N 57 115.430 115.430 113.936 1.494 18374 12227 1 42 . 1 1 57 57 SER HA H 57 4.266 4.266 4.352 -0.086 18374 12228 1 42 . 1 1 57 57 SER CA C 57 59.992 59.992 59.828 0.164 18374 12229 1 42 . 1 1 57 57 SER CB C 57 63.492 63.492 63.127 0.365 18374 12230 1 42 . 1 1 57 57 SER H H 57 7.938 7.938 8.123 -0.185 18374 12231 1 42 . 1 1 58 58 GLY N N 58 109.391 109.391 109.108 0.283 18374 12232 1 42 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.386 1.040 18374 12233 1 42 . 1 1 58 58 GLY H H 58 8.013 8.013 7.407 0.606 18374 12234 1 42 . 1 1 59 59 ASP N N 59 120.345 120.345 119.040 1.305 18374 12235 1 42 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.785 -0.194 18374 12236 1 42 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.490 0.802 18374 12237 1 42 . 1 1 59 59 ASP CB C 59 41.083 41.083 44.423 -3.340 18374 12238 1 42 . 1 1 59 59 ASP H H 59 8.130 8.130 8.174 -0.044 18374 12239 1 42 . 1 1 60 60 VAL N N 60 119.548 119.548 124.297 -4.749 18374 12240 1 42 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.286 -0.128 18374 12241 1 42 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.875 0.040 18374 12242 1 42 . 1 1 60 60 VAL CB C 60 32.515 32.515 31.503 1.012 18374 12243 1 42 . 1 1 60 60 VAL H H 60 8.072 8.072 8.480 -0.408 18374 12244 1 42 . 1 1 61 61 THR N N 61 121.407 121.407 121.720 -0.313 18374 12245 1 42 . 1 1 61 61 THR HA H 61 4.509 4.509 4.571 -0.062 18374 12246 1 42 . 1 1 61 61 THR CA C 61 59.848 59.848 60.202 -0.354 18374 12247 1 42 . 1 1 61 61 THR CB C 61 69.602 69.602 69.126 0.476 18374 12248 1 42 . 1 1 61 61 THR H H 61 8.335 8.335 8.163 0.172 18374 12249 1 42 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.468 -0.106 18374 12250 1 42 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.978 -0.076 18374 12251 1 42 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.424 -0.475 18374 12252 1 42 . 1 1 63 63 ALA N N 63 125.923 125.923 127.622 -1.699 18374 12253 1 42 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.635 -0.097 18374 12254 1 42 . 1 1 63 63 ALA CA C 63 50.268 50.268 49.815 0.453 18374 12255 1 42 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.526 -1.826 18374 12256 1 42 . 1 1 63 63 ALA H H 63 8.368 8.368 8.218 0.150 18374 12257 1 42 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.389 0.021 18374 12258 1 42 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.191 -0.295 18374 12259 1 42 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.797 1.127 18374 12260 1 42 . 1 1 65 65 VAL N N 65 120.526 120.526 125.538 -5.012 18374 12261 1 42 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.064 0.009 18374 12262 1 42 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.240 0.085 18374 12263 1 42 . 1 1 65 65 VAL CB C 65 32.080 32.080 30.823 1.256 18374 12264 1 42 . 1 1 65 65 VAL H H 65 8.270 8.270 8.172 0.098 18374 12265 1 43 . 1 1 2 2 ALA N N 2 123.688 123.688 122.604 1.084 18374 12266 1 43 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.345 -0.047 18374 12267 1 43 . 1 1 2 2 ALA CA C 2 52.710 52.710 53.163 -0.453 18374 12268 1 43 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.079 0.156 18374 12269 1 43 . 1 1 2 2 ALA H H 2 8.653 8.653 8.118 0.535 18374 12270 1 43 . 1 1 3 3 MET N N 3 119.289 119.289 120.470 -1.181 18374 12271 1 43 . 1 1 3 3 MET HA H 3 4.426 4.426 4.466 -0.040 18374 12272 1 43 . 1 1 3 3 MET CA C 3 55.430 55.430 54.578 0.852 18374 12273 1 43 . 1 1 3 3 MET CB C 3 32.532 32.532 31.141 1.391 18374 12274 1 43 . 1 1 3 3 MET H H 3 8.545 8.545 7.749 0.796 18374 12275 1 43 . 1 1 4 4 GLU N N 4 122.149 122.149 125.286 -3.137 18374 12276 1 43 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.618 -0.374 18374 12277 1 43 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.095 0.936 18374 12278 1 43 . 1 1 4 4 GLU CB C 4 30.006 30.006 32.051 -2.045 18374 12279 1 43 . 1 1 4 4 GLU H H 4 8.440 8.440 8.051 0.389 18374 12280 1 43 . 1 1 5 5 GLY N N 5 110.051 110.051 111.680 -1.629 18374 12281 1 43 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.878 0.530 18374 12282 1 43 . 1 1 5 5 GLY H H 5 8.500 8.500 8.278 0.222 18374 12283 1 43 . 1 1 6 6 GLN N N 6 119.509 119.509 122.728 -3.219 18374 12284 1 43 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.123 0.163 18374 12285 1 43 . 1 1 6 6 GLN CA C 6 56.000 56.000 57.515 -1.515 18374 12286 1 43 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.710 0.497 18374 12287 1 43 . 1 1 6 6 GLN H H 6 8.242 8.242 8.840 -0.598 18374 12288 1 43 . 1 1 7 7 GLN N N 7 121.049 121.049 116.942 4.107 18374 12289 1 43 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.504 -0.243 18374 12290 1 43 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.658 1.446 18374 12291 1 43 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.369 0.835 18374 12292 1 43 . 1 1 7 7 GLN H H 7 8.534 8.534 8.159 0.375 18374 12293 1 43 . 1 1 8 8 ASN N N 8 119.289 119.289 120.601 -1.312 18374 12294 1 43 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.530 0.115 18374 12295 1 43 . 1 1 8 8 ASN CA C 8 53.107 53.107 55.065 -1.958 18374 12296 1 43 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.840 -0.321 18374 12297 1 43 . 1 1 8 8 ASN H H 8 8.486 8.486 7.724 0.762 18374 12298 1 43 . 1 1 9 9 LEU N N 9 122.204 122.204 122.091 0.113 18374 12299 1 43 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.502 -0.211 18374 12300 1 43 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.821 0.895 18374 12301 1 43 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.914 0.483 18374 12302 1 43 . 1 1 9 9 LEU H H 9 8.145 8.145 7.914 0.231 18374 12303 1 43 . 1 1 10 10 ALA N N 10 126.188 126.188 129.029 -2.841 18374 12304 1 43 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.508 0.024 18374 12305 1 43 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.491 -0.154 18374 12306 1 43 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.310 -0.517 18374 12307 1 43 . 1 1 10 10 ALA H H 10 8.324 8.324 8.251 0.073 18374 12308 1 43 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.399 -0.035 18374 12309 1 43 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.870 1.038 18374 12310 1 43 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.914 1.955 18374 12311 1 43 . 1 1 12 12 GLY N N 12 108.951 108.951 109.141 -0.190 18374 12312 1 43 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.372 -0.151 18374 12313 1 43 . 1 1 12 12 GLY H H 12 8.501 8.501 8.543 -0.042 18374 12314 1 43 . 1 1 13 13 ALA N N 13 123.134 123.134 123.736 -0.602 18374 12315 1 43 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.607 -0.373 18374 12316 1 43 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.484 0.625 18374 12317 1 43 . 1 1 13 13 ALA CB C 13 19.525 19.525 19.736 -0.211 18374 12318 1 43 . 1 1 13 13 ALA H H 13 7.957 7.957 8.003 -0.046 18374 12319 1 43 . 1 1 14 14 ARG N N 14 116.759 116.759 122.583 -5.824 18374 12320 1 43 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.507 -0.388 18374 12321 1 43 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.467 -1.657 18374 12322 1 43 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.899 -1.446 18374 12323 1 43 . 1 1 14 14 ARG H H 14 7.990 7.990 8.392 -0.402 18374 12324 1 43 . 1 1 15 15 CYS N N 15 123.688 123.688 125.619 -1.931 18374 12325 1 43 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.632 -0.615 18374 12326 1 43 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.361 -0.251 18374 12327 1 43 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.993 4.064 18374 12328 1 43 . 1 1 15 15 CYS H H 15 7.646 7.646 8.668 -1.022 18374 12329 1 43 . 1 1 16 16 GLY N N 16 117.749 117.749 116.397 1.352 18374 12330 1 43 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.958 -0.173 18374 12331 1 43 . 1 1 16 16 GLY H H 16 8.916 8.916 9.118 -0.202 18374 12332 1 43 . 1 1 17 17 VAL N N 17 122.602 122.602 120.270 2.332 18374 12333 1 43 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.070 -0.056 18374 12334 1 43 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.432 0.599 18374 12335 1 43 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.060 0.779 18374 12336 1 43 . 1 1 17 17 VAL H H 17 8.856 8.856 7.971 0.885 18374 12337 1 43 . 1 1 18 18 CYS N N 18 115.430 115.430 117.970 -2.540 18374 12338 1 43 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.600 0.326 18374 12339 1 43 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.637 -1.458 18374 12340 1 43 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.101 1.510 18374 12341 1 43 . 1 1 18 18 CYS H H 18 7.758 7.758 7.872 -0.114 18374 12342 1 43 . 1 1 19 19 GLY N N 19 113.040 113.040 109.440 3.600 18374 12343 1 43 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.504 0.853 18374 12344 1 43 . 1 1 19 19 GLY H H 19 8.029 8.029 8.811 -0.782 18374 12345 1 43 . 1 1 20 20 ASP N N 20 123.399 123.399 119.914 3.485 18374 12346 1 43 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.977 0.030 18374 12347 1 43 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.383 0.131 18374 12348 1 43 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.632 -0.090 18374 12349 1 43 . 1 1 20 20 ASP H H 20 8.722 8.722 7.475 1.247 18374 12350 1 43 . 1 1 21 21 GLY N N 21 111.371 111.371 107.053 4.318 18374 12351 1 43 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.894 0.213 18374 12352 1 43 . 1 1 21 21 GLY H H 21 8.667 8.667 8.504 0.163 18374 12353 1 43 . 1 1 22 22 THR N N 22 118.220 118.220 117.100 1.120 18374 12354 1 43 . 1 1 22 22 THR HA H 22 3.979 3.979 4.318 -0.339 18374 12355 1 43 . 1 1 22 22 THR CA C 22 64.367 64.367 63.654 0.713 18374 12356 1 43 . 1 1 22 22 THR CB C 22 67.783 67.783 69.067 -1.284 18374 12357 1 43 . 1 1 22 22 THR H H 22 8.784 8.784 7.639 1.145 18374 12358 1 43 . 1 1 23 23 ASP N N 23 127.251 127.251 124.412 2.839 18374 12359 1 43 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.319 -0.018 18374 12360 1 43 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.982 0.445 18374 12361 1 43 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.594 -1.555 18374 12362 1 43 . 1 1 23 23 ASP H H 23 9.376 9.376 8.863 0.513 18374 12363 1 43 . 1 1 24 24 VAL N N 24 111.371 111.371 116.580 -5.209 18374 12364 1 43 . 1 1 24 24 VAL HA H 24 3.560 3.560 3.681 -0.121 18374 12365 1 43 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.220 1.496 18374 12366 1 43 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.140 -0.848 18374 12367 1 43 . 1 1 24 24 VAL H H 24 7.402 7.402 7.739 -0.337 18374 12368 1 43 . 1 1 25 25 LEU N N 25 123.908 123.908 126.573 -2.665 18374 12369 1 43 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.409 -0.070 18374 12370 1 43 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.977 -1.455 18374 12371 1 43 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.840 -0.398 18374 12372 1 43 . 1 1 25 25 LEU H H 25 8.328 8.328 7.813 0.515 18374 12373 1 43 . 1 1 26 26 ARG N N 26 116.626 116.626 119.685 -3.059 18374 12374 1 43 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.378 -0.277 18374 12375 1 43 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.481 -0.826 18374 12376 1 43 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.679 -0.011 18374 12377 1 43 . 1 1 26 26 ARG H H 26 7.877 7.877 8.066 -0.189 18374 12378 1 43 . 1 1 27 27 CYS N N 27 126.328 126.328 121.836 4.492 18374 12379 1 43 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.890 -0.575 18374 12380 1 43 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.468 1.930 18374 12381 1 43 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.613 2.054 18374 12382 1 43 . 1 1 27 27 CYS H H 27 9.182 9.182 8.414 0.768 18374 12383 1 43 . 1 1 28 28 THR N N 28 122.470 122.470 121.154 1.316 18374 12384 1 43 . 1 1 28 28 THR HA H 28 4.166 4.166 4.405 -0.239 18374 12385 1 43 . 1 1 28 28 THR CA C 28 64.686 64.686 64.225 0.461 18374 12386 1 43 . 1 1 28 28 THR CB C 28 69.846 69.846 68.941 0.905 18374 12387 1 43 . 1 1 28 28 THR H H 28 8.956 8.956 9.050 -0.094 18374 12388 1 43 . 1 1 29 29 HIS N N 29 123.908 123.908 119.657 4.251 18374 12389 1 43 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.652 0.257 18374 12390 1 43 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.760 1.345 18374 12391 1 43 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.236 -0.691 18374 12392 1 43 . 1 1 29 29 HIS H H 29 9.464 9.464 8.315 1.149 18374 12393 1 43 . 1 1 30 30 CYS N N 30 119.946 119.946 117.199 2.747 18374 12394 1 43 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.860 -0.049 18374 12395 1 43 . 1 1 30 30 CYS CA C 30 59.090 59.090 55.803 3.287 18374 12396 1 43 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.338 1.560 18374 12397 1 43 . 1 1 30 30 CYS H H 30 8.710 8.710 7.922 0.788 18374 12398 1 43 . 1 1 31 31 ALA N N 31 120.477 120.477 124.306 -3.829 18374 12399 1 43 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.453 -0.169 18374 12400 1 43 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.700 2.790 18374 12401 1 43 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.229 -1.811 18374 12402 1 43 . 1 1 31 31 ALA H H 31 7.626 7.626 8.269 -0.643 18374 12403 1 43 . 1 1 32 32 ALA N N 32 125.524 125.524 125.661 -0.137 18374 12404 1 43 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.654 -0.408 18374 12405 1 43 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.221 1.619 18374 12406 1 43 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.688 -1.354 18374 12407 1 43 . 1 1 32 32 ALA H H 32 9.152 9.152 8.175 0.977 18374 12408 1 43 . 1 1 33 33 ALA N N 33 123.257 123.257 124.817 -1.560 18374 12409 1 43 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.607 -0.197 18374 12410 1 43 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.397 -0.591 18374 12411 1 43 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.331 -0.703 18374 12412 1 43 . 1 1 33 33 ALA H H 33 8.490 8.490 8.435 0.055 18374 12413 1 43 . 1 1 34 34 PHE N N 34 118.220 118.220 120.019 -1.799 18374 12414 1 43 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.835 0.239 18374 12415 1 43 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.106 -0.344 18374 12416 1 43 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.245 -2.022 18374 12417 1 43 . 1 1 34 34 PHE H H 34 8.948 8.948 8.572 0.376 18374 12418 1 43 . 1 1 35 35 HIS N N 35 116.759 116.759 122.431 -5.672 18374 12419 1 43 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.644 0.242 18374 12420 1 43 . 1 1 35 35 HIS CA C 35 56.138 56.138 56.243 -0.105 18374 12421 1 43 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.661 1.362 18374 12422 1 43 . 1 1 35 35 HIS H H 35 7.932 7.932 8.600 -0.668 18374 12423 1 43 . 1 1 36 36 TRP N N 36 127.649 127.649 126.515 1.134 18374 12424 1 43 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.484 -0.046 18374 12425 1 43 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.790 0.583 18374 12426 1 43 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.822 -0.498 18374 12427 1 43 . 1 1 36 36 TRP H H 36 9.421 9.421 9.008 0.413 18374 12428 1 43 . 1 1 37 37 ARG N N 37 113.040 113.040 116.871 -3.831 18374 12429 1 43 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.487 -0.083 18374 12430 1 43 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.596 -1.123 18374 12431 1 43 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.736 -0.569 18374 12432 1 43 . 1 1 37 37 ARG H H 37 9.075 9.075 8.628 0.447 18374 12433 1 43 . 1 1 38 38 CYS N N 38 116.493 116.493 114.946 1.547 18374 12434 1 43 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.527 -0.309 18374 12435 1 43 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.778 2.681 18374 12436 1 43 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.105 2.571 18374 12437 1 43 . 1 1 38 38 CYS H H 38 7.169 7.169 7.767 -0.598 18374 12438 1 43 . 1 1 39 39 HIS N N 39 118.220 118.220 114.937 3.283 18374 12439 1 43 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.554 -0.331 18374 12440 1 43 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.710 1.766 18374 12441 1 43 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.260 3.080 18374 12442 1 43 . 1 1 39 39 HIS H H 39 7.562 7.562 7.917 -0.355 18374 12443 1 43 . 1 1 40 40 PHE N N 40 117.157 117.157 116.995 0.162 18374 12444 1 43 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.727 0.056 18374 12445 1 43 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.244 -2.585 18374 12446 1 43 . 1 1 40 40 PHE CB C 40 38.807 38.807 41.091 -2.284 18374 12447 1 43 . 1 1 40 40 PHE H H 40 8.282 8.282 8.387 -0.105 18374 12448 1 43 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.465 0.022 18374 12449 1 43 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.025 0.194 18374 12450 1 43 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.351 -0.136 18374 12451 1 43 . 1 1 42 42 ALA N N 42 123.001 123.001 125.034 -2.033 18374 12452 1 43 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.162 0.196 18374 12453 1 43 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.149 -1.136 18374 12454 1 43 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.722 -0.081 18374 12455 1 43 . 1 1 42 42 ALA H H 42 8.635 8.635 8.595 0.040 18374 12456 1 43 . 1 1 43 43 GLY N N 43 108.291 108.291 104.571 3.720 18374 12457 1 43 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.196 0.270 18374 12458 1 43 . 1 1 43 43 GLY H H 43 8.529 8.529 8.164 0.365 18374 12459 1 43 . 1 1 44 44 THR N N 44 113.961 113.961 118.106 -4.145 18374 12460 1 43 . 1 1 44 44 THR HA H 44 4.424 4.424 4.538 -0.114 18374 12461 1 43 . 1 1 44 44 THR CA C 44 62.074 62.074 62.964 -0.890 18374 12462 1 43 . 1 1 44 44 THR CB C 44 70.259 70.259 69.990 0.269 18374 12463 1 43 . 1 1 44 44 THR H H 44 7.971 7.971 7.912 0.059 18374 12464 1 43 . 1 1 45 45 SER N N 45 120.467 120.467 119.829 0.638 18374 12465 1 43 . 1 1 45 45 SER HA H 45 4.280 4.280 4.608 -0.328 18374 12466 1 43 . 1 1 45 45 SER CA C 45 58.274 58.274 57.803 0.471 18374 12467 1 43 . 1 1 45 45 SER CB C 45 63.906 63.906 63.860 0.046 18374 12468 1 43 . 1 1 45 45 SER H H 45 8.644 8.644 8.486 0.158 18374 12469 1 43 . 1 1 46 46 ARG N N 46 124.196 124.196 125.215 -1.019 18374 12470 1 43 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.108 0.812 18374 12471 1 43 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.190 -0.038 18374 12472 1 43 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.013 1.889 18374 12473 1 43 . 1 1 46 46 ARG H H 46 8.197 8.197 8.120 0.077 18374 12474 1 43 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.344 -0.046 18374 12475 1 43 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.335 0.483 18374 12476 1 43 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.139 0.047 18374 12477 1 43 . 1 1 48 48 GLY N N 48 108.071 108.071 110.346 -2.275 18374 12478 1 43 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.695 -0.016 18374 12479 1 43 . 1 1 48 48 GLY H H 48 8.492 8.492 8.566 -0.074 18374 12480 1 43 . 1 1 49 49 THR N N 49 111.151 111.151 115.085 -3.934 18374 12481 1 43 . 1 1 49 49 THR HA H 49 4.377 4.377 4.304 0.073 18374 12482 1 43 . 1 1 49 49 THR CA C 49 60.690 60.690 60.815 -0.125 18374 12483 1 43 . 1 1 49 49 THR CB C 49 70.332 70.332 67.077 3.255 18374 12484 1 43 . 1 1 49 49 THR H H 49 7.669 7.669 7.747 -0.078 18374 12485 1 43 . 1 1 50 50 GLY N N 50 110.491 110.491 110.029 0.462 18374 12486 1 43 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.458 1.723 18374 12487 1 43 . 1 1 50 50 GLY H H 50 8.459 8.459 7.519 0.940 18374 12488 1 43 . 1 1 51 51 LEU N N 51 121.407 121.407 123.680 -2.273 18374 12489 1 43 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.146 0.136 18374 12490 1 43 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.280 1.088 18374 12491 1 43 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.271 0.548 18374 12492 1 43 . 1 1 51 51 LEU H H 51 8.248 8.248 8.220 0.028 18374 12493 1 43 . 1 1 52 52 ARG N N 52 124.997 124.997 125.983 -0.986 18374 12494 1 43 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.803 1.044 18374 12495 1 43 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.710 -0.579 18374 12496 1 43 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.902 2.083 18374 12497 1 43 . 1 1 52 52 ARG H H 52 8.639 8.639 8.322 0.317 18374 12498 1 43 . 1 1 53 53 CYS N N 53 120.743 120.743 121.911 -1.168 18374 12499 1 43 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.865 -1.372 18374 12500 1 43 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.128 0.076 18374 12501 1 43 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.665 0.114 18374 12502 1 43 . 1 1 53 53 CYS H H 53 8.933 8.933 8.562 0.371 18374 12503 1 43 . 1 1 54 54 ARG N N 54 121.407 121.407 122.396 -0.989 18374 12504 1 43 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.279 -0.469 18374 12505 1 43 . 1 1 54 54 ARG CA C 54 59.387 59.387 58.981 0.406 18374 12506 1 43 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.503 -0.620 18374 12507 1 43 . 1 1 54 54 ARG H H 54 10.380 10.380 8.873 1.507 18374 12508 1 43 . 1 1 55 55 SER N N 55 117.300 117.300 113.709 3.591 18374 12509 1 43 . 1 1 55 55 SER HA H 55 4.258 4.258 4.291 -0.033 18374 12510 1 43 . 1 1 55 55 SER CA C 55 61.216 61.216 61.062 0.154 18374 12511 1 43 . 1 1 55 55 SER CB C 55 62.830 62.830 63.525 -0.695 18374 12512 1 43 . 1 1 55 55 SER H H 55 8.228 8.228 8.057 0.171 18374 12513 1 43 . 1 1 56 56 CYS N N 56 122.602 122.602 120.414 2.188 18374 12514 1 43 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.293 -0.107 18374 12515 1 43 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.974 0.268 18374 12516 1 43 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.381 3.535 18374 12517 1 43 . 1 1 56 56 CYS H H 56 7.999 7.999 7.929 0.070 18374 12518 1 43 . 1 1 57 57 SER N N 57 115.430 115.430 113.917 1.513 18374 12519 1 43 . 1 1 57 57 SER HA H 57 4.266 4.266 4.331 -0.065 18374 12520 1 43 . 1 1 57 57 SER CA C 57 59.992 59.992 60.506 -0.514 18374 12521 1 43 . 1 1 57 57 SER CB C 57 63.492 63.492 63.094 0.398 18374 12522 1 43 . 1 1 57 57 SER H H 57 7.938 7.938 8.183 -0.245 18374 12523 1 43 . 1 1 58 58 GLY N N 58 109.391 109.391 110.589 -1.198 18374 12524 1 43 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.239 0.187 18374 12525 1 43 . 1 1 58 58 GLY H H 58 8.013 8.013 7.620 0.393 18374 12526 1 43 . 1 1 59 59 ASP N N 59 120.345 120.345 123.375 -3.030 18374 12527 1 43 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.667 -0.076 18374 12528 1 43 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.405 0.887 18374 12529 1 43 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.510 -0.427 18374 12530 1 43 . 1 1 59 59 ASP H H 59 8.130 8.130 8.419 -0.289 18374 12531 1 43 . 1 1 60 60 VAL N N 60 119.548 119.548 121.974 -2.426 18374 12532 1 43 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.366 -0.208 18374 12533 1 43 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.826 0.089 18374 12534 1 43 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.327 0.188 18374 12535 1 43 . 1 1 60 60 VAL H H 60 8.072 8.072 8.377 -0.305 18374 12536 1 43 . 1 1 61 61 THR N N 61 121.407 121.407 121.458 -0.051 18374 12537 1 43 . 1 1 61 61 THR HA H 61 4.509 4.509 4.705 -0.196 18374 12538 1 43 . 1 1 61 61 THR CA C 61 59.848 59.848 59.222 0.626 18374 12539 1 43 . 1 1 61 61 THR CB C 61 69.602 69.602 68.791 0.811 18374 12540 1 43 . 1 1 61 61 THR H H 61 8.335 8.335 8.322 0.013 18374 12541 1 43 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.373 -0.011 18374 12542 1 43 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.352 -0.449 18374 12543 1 43 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.019 -0.070 18374 12544 1 43 . 1 1 63 63 ALA N N 63 125.923 125.923 127.765 -1.842 18374 12545 1 43 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.507 0.031 18374 12546 1 43 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.561 -0.293 18374 12547 1 43 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.009 -1.308 18374 12548 1 43 . 1 1 63 63 ALA H H 63 8.368 8.368 8.246 0.122 18374 12549 1 43 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.430 -0.020 18374 12550 1 43 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.002 -0.105 18374 12551 1 43 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.545 1.379 18374 12552 1 43 . 1 1 65 65 VAL N N 65 120.526 120.526 120.178 0.348 18374 12553 1 43 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.351 -0.278 18374 12554 1 43 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.339 -0.013 18374 12555 1 43 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.213 -0.133 18374 12556 1 43 . 1 1 65 65 VAL H H 65 8.270 8.270 8.185 0.085 18374 12557 1 44 . 1 1 2 2 ALA N N 2 123.688 123.688 123.848 -0.160 18374 12558 1 44 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.170 0.128 18374 12559 1 44 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.646 0.064 18374 12560 1 44 . 1 1 2 2 ALA CB C 2 19.235 19.235 17.944 1.291 18374 12561 1 44 . 1 1 2 2 ALA H H 2 8.653 8.653 8.198 0.455 18374 12562 1 44 . 1 1 3 3 MET N N 3 119.289 119.289 116.407 2.882 18374 12563 1 44 . 1 1 3 3 MET HA H 3 4.426 4.426 4.749 -0.323 18374 12564 1 44 . 1 1 3 3 MET CA C 3 55.430 55.430 55.088 0.342 18374 12565 1 44 . 1 1 3 3 MET CB C 3 32.532 32.532 33.908 -1.376 18374 12566 1 44 . 1 1 3 3 MET H H 3 8.545 8.545 7.750 0.795 18374 12567 1 44 . 1 1 4 4 GLU N N 4 122.149 122.149 121.033 1.116 18374 12568 1 44 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.460 -0.216 18374 12569 1 44 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.444 0.587 18374 12570 1 44 . 1 1 4 4 GLU CB C 4 30.006 30.006 31.427 -1.421 18374 12571 1 44 . 1 1 4 4 GLU H H 4 8.440 8.440 9.003 -0.563 18374 12572 1 44 . 1 1 5 5 GLY N N 5 110.051 110.051 107.597 2.454 18374 12573 1 44 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.202 0.206 18374 12574 1 44 . 1 1 5 5 GLY H H 5 8.500 8.500 7.825 0.675 18374 12575 1 44 . 1 1 6 6 GLN N N 6 119.509 119.509 117.264 2.245 18374 12576 1 44 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.162 0.124 18374 12577 1 44 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.272 -0.272 18374 12578 1 44 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.843 1.365 18374 12579 1 44 . 1 1 6 6 GLN H H 6 8.242 8.242 8.320 -0.078 18374 12580 1 44 . 1 1 7 7 GLN N N 7 121.049 121.049 116.081 4.968 18374 12581 1 44 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.445 -0.184 18374 12582 1 44 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.339 0.765 18374 12583 1 44 . 1 1 7 7 GLN CB C 7 29.204 29.204 29.169 0.035 18374 12584 1 44 . 1 1 7 7 GLN H H 7 8.534 8.534 8.172 0.362 18374 12585 1 44 . 1 1 8 8 ASN N N 8 119.289 119.289 119.029 0.260 18374 12586 1 44 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.527 0.118 18374 12587 1 44 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.448 -1.341 18374 12588 1 44 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.459 0.061 18374 12589 1 44 . 1 1 8 8 ASN H H 8 8.486 8.486 8.227 0.259 18374 12590 1 44 . 1 1 9 9 LEU N N 9 122.204 122.204 122.026 0.178 18374 12591 1 44 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.305 -0.014 18374 12592 1 44 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.810 -0.094 18374 12593 1 44 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.084 0.313 18374 12594 1 44 . 1 1 9 9 LEU H H 9 8.145 8.145 7.776 0.369 18374 12595 1 44 . 1 1 10 10 ALA N N 10 126.188 126.188 130.283 -4.095 18374 12596 1 44 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.487 0.045 18374 12597 1 44 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.058 0.279 18374 12598 1 44 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.646 -0.854 18374 12599 1 44 . 1 1 10 10 ALA H H 10 8.324 8.324 8.170 0.154 18374 12600 1 44 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.410 -0.046 18374 12601 1 44 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.582 0.326 18374 12602 1 44 . 1 1 11 11 PRO CB C 11 31.869 31.869 31.437 0.432 18374 12603 1 44 . 1 1 12 12 GLY N N 12 108.951 108.951 111.294 -2.343 18374 12604 1 44 . 1 1 12 12 GLY CA C 12 45.221 45.221 46.184 -0.963 18374 12605 1 44 . 1 1 12 12 GLY H H 12 8.501 8.501 8.648 -0.147 18374 12606 1 44 . 1 1 13 13 ALA N N 13 123.134 123.134 123.141 -0.007 18374 12607 1 44 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.785 -0.551 18374 12608 1 44 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.323 -0.214 18374 12609 1 44 . 1 1 13 13 ALA CB C 13 19.525 19.525 20.802 -1.277 18374 12610 1 44 . 1 1 13 13 ALA H H 13 7.957 7.957 8.026 -0.069 18374 12611 1 44 . 1 1 14 14 ARG N N 14 116.759 116.759 117.937 -1.178 18374 12612 1 44 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.542 -0.423 18374 12613 1 44 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.193 -0.383 18374 12614 1 44 . 1 1 14 14 ARG CB C 14 32.453 32.453 31.369 1.085 18374 12615 1 44 . 1 1 14 14 ARG H H 14 7.990 7.990 8.182 -0.192 18374 12616 1 44 . 1 1 15 15 CYS N N 15 123.688 123.688 121.710 1.978 18374 12617 1 44 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.590 -0.573 18374 12618 1 44 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.475 -0.365 18374 12619 1 44 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.447 4.610 18374 12620 1 44 . 1 1 15 15 CYS H H 15 7.646 7.646 8.383 -0.737 18374 12621 1 44 . 1 1 16 16 GLY N N 16 117.749 117.749 115.597 2.152 18374 12622 1 44 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.919 -0.134 18374 12623 1 44 . 1 1 16 16 GLY H H 16 8.916 8.916 8.870 0.046 18374 12624 1 44 . 1 1 17 17 VAL N N 17 122.602 122.602 119.102 3.500 18374 12625 1 44 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.874 0.140 18374 12626 1 44 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.426 0.605 18374 12627 1 44 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.906 0.934 18374 12628 1 44 . 1 1 17 17 VAL H H 17 8.856 8.856 7.968 0.888 18374 12629 1 44 . 1 1 18 18 CYS N N 18 115.430 115.430 117.272 -1.842 18374 12630 1 44 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.710 0.216 18374 12631 1 44 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.608 -1.429 18374 12632 1 44 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.025 1.586 18374 12633 1 44 . 1 1 18 18 CYS H H 18 7.758 7.758 7.926 -0.168 18374 12634 1 44 . 1 1 19 19 GLY N N 19 113.040 113.040 108.579 4.461 18374 12635 1 44 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.120 1.237 18374 12636 1 44 . 1 1 19 19 GLY H H 19 8.029 8.029 8.707 -0.678 18374 12637 1 44 . 1 1 20 20 ASP N N 20 123.399 123.399 121.008 2.391 18374 12638 1 44 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.902 0.105 18374 12639 1 44 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.528 -0.014 18374 12640 1 44 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.938 0.604 18374 12641 1 44 . 1 1 20 20 ASP H H 20 8.722 8.722 7.496 1.226 18374 12642 1 44 . 1 1 21 21 GLY N N 21 111.371 111.371 107.936 3.435 18374 12643 1 44 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.821 0.286 18374 12644 1 44 . 1 1 21 21 GLY H H 21 8.667 8.667 8.593 0.074 18374 12645 1 44 . 1 1 22 22 THR N N 22 118.220 118.220 117.986 0.234 18374 12646 1 44 . 1 1 22 22 THR HA H 22 3.979 3.979 4.191 -0.212 18374 12647 1 44 . 1 1 22 22 THR CA C 22 64.367 64.367 63.563 0.804 18374 12648 1 44 . 1 1 22 22 THR CB C 22 67.783 67.783 69.031 -1.248 18374 12649 1 44 . 1 1 22 22 THR H H 22 8.784 8.784 7.726 1.058 18374 12650 1 44 . 1 1 23 23 ASP N N 23 127.251 127.251 122.884 4.367 18374 12651 1 44 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.340 -0.039 18374 12652 1 44 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.111 0.316 18374 12653 1 44 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.850 -0.811 18374 12654 1 44 . 1 1 23 23 ASP H H 23 9.376 9.376 8.860 0.516 18374 12655 1 44 . 1 1 24 24 VAL N N 24 111.371 111.371 118.011 -6.640 18374 12656 1 44 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.368 -0.808 18374 12657 1 44 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.790 0.926 18374 12658 1 44 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.327 -1.035 18374 12659 1 44 . 1 1 24 24 VAL H H 24 7.402 7.402 7.651 -0.249 18374 12660 1 44 . 1 1 25 25 LEU N N 25 123.908 123.908 127.800 -3.892 18374 12661 1 44 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.488 -0.149 18374 12662 1 44 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.977 -1.455 18374 12663 1 44 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.769 -0.327 18374 12664 1 44 . 1 1 25 25 LEU H H 25 8.328 8.328 8.601 -0.273 18374 12665 1 44 . 1 1 26 26 ARG N N 26 116.626 116.626 119.973 -3.347 18374 12666 1 44 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.222 -0.121 18374 12667 1 44 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.379 -0.724 18374 12668 1 44 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.394 0.274 18374 12669 1 44 . 1 1 26 26 ARG H H 26 7.877 7.877 8.103 -0.226 18374 12670 1 44 . 1 1 27 27 CYS N N 27 126.328 126.328 122.779 3.549 18374 12671 1 44 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.828 -0.513 18374 12672 1 44 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.747 1.651 18374 12673 1 44 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.881 1.786 18374 12674 1 44 . 1 1 27 27 CYS H H 27 9.182 9.182 8.405 0.777 18374 12675 1 44 . 1 1 28 28 THR N N 28 122.470 122.470 121.526 0.944 18374 12676 1 44 . 1 1 28 28 THR HA H 28 4.166 4.166 4.473 -0.307 18374 12677 1 44 . 1 1 28 28 THR CA C 28 64.686 64.686 63.799 0.887 18374 12678 1 44 . 1 1 28 28 THR CB C 28 69.846 69.846 69.004 0.842 18374 12679 1 44 . 1 1 28 28 THR H H 28 8.956 8.956 9.007 -0.051 18374 12680 1 44 . 1 1 29 29 HIS N N 29 123.908 123.908 119.598 4.310 18374 12681 1 44 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.631 0.278 18374 12682 1 44 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.681 1.423 18374 12683 1 44 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.404 -0.859 18374 12684 1 44 . 1 1 29 29 HIS H H 29 9.464 9.464 8.374 1.090 18374 12685 1 44 . 1 1 30 30 CYS N N 30 119.946 119.946 115.130 4.816 18374 12686 1 44 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.762 0.049 18374 12687 1 44 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.749 2.341 18374 12688 1 44 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.625 2.272 18374 12689 1 44 . 1 1 30 30 CYS H H 30 8.710 8.710 7.791 0.919 18374 12690 1 44 . 1 1 31 31 ALA N N 31 120.477 120.477 124.843 -4.366 18374 12691 1 44 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.532 -0.248 18374 12692 1 44 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.923 2.567 18374 12693 1 44 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.844 -1.426 18374 12694 1 44 . 1 1 31 31 ALA H H 31 7.626 7.626 8.350 -0.724 18374 12695 1 44 . 1 1 32 32 ALA N N 32 125.524 125.524 125.590 -0.066 18374 12696 1 44 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.619 -0.373 18374 12697 1 44 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.460 1.380 18374 12698 1 44 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.783 -1.449 18374 12699 1 44 . 1 1 32 32 ALA H H 32 9.152 9.152 8.443 0.709 18374 12700 1 44 . 1 1 33 33 ALA N N 33 123.257 123.257 124.084 -0.827 18374 12701 1 44 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.667 -0.257 18374 12702 1 44 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.644 -0.838 18374 12703 1 44 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.654 -1.026 18374 12704 1 44 . 1 1 33 33 ALA H H 33 8.490 8.490 8.579 -0.089 18374 12705 1 44 . 1 1 34 34 PHE N N 34 118.220 118.220 119.988 -1.768 18374 12706 1 44 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.717 0.357 18374 12707 1 44 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.419 -0.657 18374 12708 1 44 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.684 -1.462 18374 12709 1 44 . 1 1 34 34 PHE H H 34 8.948 8.948 8.529 0.419 18374 12710 1 44 . 1 1 35 35 HIS N N 35 116.759 116.759 120.449 -3.690 18374 12711 1 44 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.866 0.020 18374 12712 1 44 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.572 1.566 18374 12713 1 44 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.531 0.492 18374 12714 1 44 . 1 1 35 35 HIS H H 35 7.932 7.932 8.155 -0.223 18374 12715 1 44 . 1 1 36 36 TRP N N 36 127.649 127.649 126.700 0.949 18374 12716 1 44 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.542 -0.104 18374 12717 1 44 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.977 0.397 18374 12718 1 44 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.862 -0.538 18374 12719 1 44 . 1 1 36 36 TRP H H 36 9.421 9.421 9.169 0.252 18374 12720 1 44 . 1 1 37 37 ARG N N 37 113.040 113.040 115.772 -2.732 18374 12721 1 44 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.443 -0.039 18374 12722 1 44 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.238 -0.765 18374 12723 1 44 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.699 -0.532 18374 12724 1 44 . 1 1 37 37 ARG H H 37 9.075 9.075 8.618 0.457 18374 12725 1 44 . 1 1 38 38 CYS N N 38 116.493 116.493 115.424 1.069 18374 12726 1 44 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.631 -0.413 18374 12727 1 44 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.345 3.114 18374 12728 1 44 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.376 2.300 18374 12729 1 44 . 1 1 38 38 CYS H H 38 7.169 7.169 7.839 -0.670 18374 12730 1 44 . 1 1 39 39 HIS N N 39 118.220 118.220 116.420 1.800 18374 12731 1 44 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.521 -0.298 18374 12732 1 44 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.972 1.504 18374 12733 1 44 . 1 1 39 39 HIS CB C 39 35.340 35.340 32.166 3.174 18374 12734 1 44 . 1 1 39 39 HIS H H 39 7.562 7.562 7.676 -0.114 18374 12735 1 44 . 1 1 40 40 PHE N N 40 117.157 117.157 118.202 -1.045 18374 12736 1 44 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.690 0.093 18374 12737 1 44 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.221 -2.562 18374 12738 1 44 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.373 -0.566 18374 12739 1 44 . 1 1 40 40 PHE H H 40 8.282 8.282 8.270 0.012 18374 12740 1 44 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.466 0.021 18374 12741 1 44 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.602 0.617 18374 12742 1 44 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.565 -0.350 18374 12743 1 44 . 1 1 42 42 ALA N N 42 123.001 123.001 123.977 -0.976 18374 12744 1 44 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.174 0.184 18374 12745 1 44 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.872 -0.859 18374 12746 1 44 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.655 -0.014 18374 12747 1 44 . 1 1 42 42 ALA H H 42 8.635 8.635 8.517 0.118 18374 12748 1 44 . 1 1 43 43 GLY N N 43 108.291 108.291 104.893 3.398 18374 12749 1 44 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.029 0.437 18374 12750 1 44 . 1 1 43 43 GLY H H 43 8.529 8.529 8.176 0.353 18374 12751 1 44 . 1 1 44 44 THR N N 44 113.961 113.961 119.453 -5.492 18374 12752 1 44 . 1 1 44 44 THR HA H 44 4.424 4.424 4.571 -0.147 18374 12753 1 44 . 1 1 44 44 THR CA C 44 62.074 62.074 61.932 0.142 18374 12754 1 44 . 1 1 44 44 THR CB C 44 70.259 70.259 70.044 0.215 18374 12755 1 44 . 1 1 44 44 THR H H 44 7.971 7.971 7.832 0.139 18374 12756 1 44 . 1 1 45 45 SER N N 45 120.467 120.467 121.602 -1.135 18374 12757 1 44 . 1 1 45 45 SER HA H 45 4.280 4.280 4.684 -0.404 18374 12758 1 44 . 1 1 45 45 SER CA C 45 58.274 58.274 57.828 0.446 18374 12759 1 44 . 1 1 45 45 SER CB C 45 63.906 63.906 64.002 -0.096 18374 12760 1 44 . 1 1 45 45 SER H H 45 8.644 8.644 8.677 -0.033 18374 12761 1 44 . 1 1 46 46 ARG N N 46 124.196 124.196 125.280 -1.084 18374 12762 1 44 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.144 0.776 18374 12763 1 44 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.460 -0.308 18374 12764 1 44 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.104 1.798 18374 12765 1 44 . 1 1 46 46 ARG H H 46 8.197 8.197 8.158 0.039 18374 12766 1 44 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.377 -0.079 18374 12767 1 44 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.201 0.617 18374 12768 1 44 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.542 -0.356 18374 12769 1 44 . 1 1 48 48 GLY N N 48 108.071 108.071 110.039 -1.968 18374 12770 1 44 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.701 -0.022 18374 12771 1 44 . 1 1 48 48 GLY H H 48 8.492 8.492 8.565 -0.073 18374 12772 1 44 . 1 1 49 49 THR N N 49 111.151 111.151 117.447 -6.296 18374 12773 1 44 . 1 1 49 49 THR HA H 49 4.377 4.377 4.350 0.027 18374 12774 1 44 . 1 1 49 49 THR CA C 49 60.690 60.690 61.344 -0.654 18374 12775 1 44 . 1 1 49 49 THR CB C 49 70.332 70.332 68.010 2.322 18374 12776 1 44 . 1 1 49 49 THR H H 49 7.669 7.669 7.697 -0.028 18374 12777 1 44 . 1 1 50 50 GLY N N 50 110.491 110.491 110.015 0.476 18374 12778 1 44 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.424 1.757 18374 12779 1 44 . 1 1 50 50 GLY H H 50 8.459 8.459 7.563 0.896 18374 12780 1 44 . 1 1 51 51 LEU N N 51 121.407 121.407 121.942 -0.535 18374 12781 1 44 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.276 0.006 18374 12782 1 44 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.866 1.502 18374 12783 1 44 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.492 0.327 18374 12784 1 44 . 1 1 51 51 LEU H H 51 8.248 8.248 8.123 0.125 18374 12785 1 44 . 1 1 52 52 ARG N N 52 124.997 124.997 125.257 -0.260 18374 12786 1 44 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.886 0.961 18374 12787 1 44 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.828 -0.697 18374 12788 1 44 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.900 1.085 18374 12789 1 44 . 1 1 52 52 ARG H H 52 8.639 8.639 8.406 0.233 18374 12790 1 44 . 1 1 53 53 CYS N N 53 120.743 120.743 120.216 0.527 18374 12791 1 44 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.866 -1.373 18374 12792 1 44 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.579 0.625 18374 12793 1 44 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.775 0.004 18374 12794 1 44 . 1 1 53 53 CYS H H 53 8.933 8.933 8.689 0.244 18374 12795 1 44 . 1 1 54 54 ARG N N 54 121.407 121.407 119.604 1.803 18374 12796 1 44 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.009 -0.199 18374 12797 1 44 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.761 -0.374 18374 12798 1 44 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.467 -0.584 18374 12799 1 44 . 1 1 54 54 ARG H H 54 10.380 10.380 8.785 1.595 18374 12800 1 44 . 1 1 55 55 SER N N 55 117.300 117.300 114.745 2.555 18374 12801 1 44 . 1 1 55 55 SER HA H 55 4.258 4.258 4.513 -0.255 18374 12802 1 44 . 1 1 55 55 SER CA C 55 61.216 61.216 60.968 0.249 18374 12803 1 44 . 1 1 55 55 SER CB C 55 62.830 62.830 63.065 -0.234 18374 12804 1 44 . 1 1 55 55 SER H H 55 8.228 8.228 8.058 0.170 18374 12805 1 44 . 1 1 56 56 CYS N N 56 122.602 122.602 119.540 3.062 18374 12806 1 44 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.430 -0.244 18374 12807 1 44 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.198 0.044 18374 12808 1 44 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.540 3.376 18374 12809 1 44 . 1 1 56 56 CYS H H 56 7.999 7.999 7.825 0.174 18374 12810 1 44 . 1 1 57 57 SER N N 57 115.430 115.430 114.296 1.134 18374 12811 1 44 . 1 1 57 57 SER HA H 57 4.266 4.266 4.530 -0.264 18374 12812 1 44 . 1 1 57 57 SER CA C 57 59.992 59.992 59.597 0.395 18374 12813 1 44 . 1 1 57 57 SER CB C 57 63.492 63.492 63.818 -0.326 18374 12814 1 44 . 1 1 57 57 SER H H 57 7.938 7.938 7.645 0.293 18374 12815 1 44 . 1 1 58 58 GLY N N 58 109.391 109.391 111.061 -1.670 18374 12816 1 44 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.721 0.704 18374 12817 1 44 . 1 1 58 58 GLY H H 58 8.013 8.013 7.382 0.631 18374 12818 1 44 . 1 1 59 59 ASP N N 59 120.345 120.345 121.977 -1.632 18374 12819 1 44 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.529 0.062 18374 12820 1 44 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.582 -0.290 18374 12821 1 44 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.132 -0.049 18374 12822 1 44 . 1 1 59 59 ASP H H 59 8.130 8.130 8.395 -0.265 18374 12823 1 44 . 1 1 60 60 VAL N N 60 119.548 119.548 122.197 -2.649 18374 12824 1 44 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.205 -0.047 18374 12825 1 44 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.658 0.257 18374 12826 1 44 . 1 1 60 60 VAL CB C 60 32.515 32.515 29.980 2.535 18374 12827 1 44 . 1 1 60 60 VAL H H 60 8.072 8.072 7.822 0.250 18374 12828 1 44 . 1 1 61 61 THR N N 61 121.407 121.407 123.711 -2.304 18374 12829 1 44 . 1 1 61 61 THR HA H 61 4.509 4.509 4.347 0.162 18374 12830 1 44 . 1 1 61 61 THR CA C 61 59.848 59.848 61.684 -1.836 18374 12831 1 44 . 1 1 61 61 THR CB C 61 69.602 69.602 68.716 0.885 18374 12832 1 44 . 1 1 61 61 THR H H 61 8.335 8.335 7.714 0.621 18374 12833 1 44 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.432 -0.070 18374 12834 1 44 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.908 -0.005 18374 12835 1 44 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.455 -0.506 18374 12836 1 44 . 1 1 63 63 ALA N N 63 125.923 125.923 127.378 -1.455 18374 12837 1 44 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.498 0.040 18374 12838 1 44 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.345 -0.077 18374 12839 1 44 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.911 -1.211 18374 12840 1 44 . 1 1 63 63 ALA H H 63 8.368 8.368 8.206 0.162 18374 12841 1 44 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.329 0.081 18374 12842 1 44 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.291 -0.394 18374 12843 1 44 . 1 1 64 64 PRO CB C 64 31.924 31.924 31.479 0.445 18374 12844 1 44 . 1 1 65 65 VAL N N 65 120.526 120.526 122.422 -1.896 18374 12845 1 44 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.304 -0.231 18374 12846 1 44 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.730 0.596 18374 12847 1 44 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.611 -1.531 18374 12848 1 44 . 1 1 65 65 VAL H H 65 8.270 8.270 8.279 -0.009 18374 12849 1 45 . 1 1 2 2 ALA N N 2 123.688 123.688 121.657 2.031 18374 12850 1 45 . 1 1 2 2 ALA HA H 2 4.298 4.298 3.999 0.299 18374 12851 1 45 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.158 0.552 18374 12852 1 45 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.019 1.216 18374 12853 1 45 . 1 1 2 2 ALA H H 2 8.653 8.653 8.363 0.290 18374 12854 1 45 . 1 1 3 3 MET N N 3 119.289 119.289 119.668 -0.379 18374 12855 1 45 . 1 1 3 3 MET HA H 3 4.426 4.426 4.440 -0.014 18374 12856 1 45 . 1 1 3 3 MET CA C 3 55.430 55.430 55.273 0.157 18374 12857 1 45 . 1 1 3 3 MET CB C 3 32.532 32.532 31.879 0.653 18374 12858 1 45 . 1 1 3 3 MET H H 3 8.545 8.545 8.175 0.370 18374 12859 1 45 . 1 1 4 4 GLU N N 4 122.149 122.149 121.544 0.605 18374 12860 1 45 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.483 -0.239 18374 12861 1 45 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.105 0.925 18374 12862 1 45 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.248 -0.242 18374 12863 1 45 . 1 1 4 4 GLU H H 4 8.440 8.440 7.899 0.541 18374 12864 1 45 . 1 1 5 5 GLY N N 5 110.051 110.051 113.473 -3.422 18374 12865 1 45 . 1 1 5 5 GLY CA C 5 45.408 45.408 44.861 0.548 18374 12866 1 45 . 1 1 5 5 GLY H H 5 8.500 8.500 8.593 -0.093 18374 12867 1 45 . 1 1 6 6 GLN N N 6 119.509 119.509 120.731 -1.222 18374 12868 1 45 . 1 1 6 6 GLN HA H 6 4.286 4.286 3.937 0.349 18374 12869 1 45 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.108 -0.108 18374 12870 1 45 . 1 1 6 6 GLN CB C 6 29.208 29.208 27.221 1.987 18374 12871 1 45 . 1 1 6 6 GLN H H 6 8.242 8.242 8.479 -0.237 18374 12872 1 45 . 1 1 7 7 GLN N N 7 121.049 121.049 116.059 4.990 18374 12873 1 45 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.135 0.126 18374 12874 1 45 . 1 1 7 7 GLN CA C 7 56.104 56.104 57.150 -1.046 18374 12875 1 45 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.535 0.669 18374 12876 1 45 . 1 1 7 7 GLN H H 7 8.534 8.534 8.692 -0.158 18374 12877 1 45 . 1 1 8 8 ASN N N 8 119.289 119.289 115.626 3.663 18374 12878 1 45 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.714 -0.069 18374 12879 1 45 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.817 0.290 18374 12880 1 45 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.080 0.439 18374 12881 1 45 . 1 1 8 8 ASN H H 8 8.486 8.486 7.992 0.493 18374 12882 1 45 . 1 1 9 9 LEU N N 9 122.204 122.204 122.960 -0.756 18374 12883 1 45 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.441 -0.150 18374 12884 1 45 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.516 0.200 18374 12885 1 45 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.976 -0.579 18374 12886 1 45 . 1 1 9 9 LEU H H 9 8.145 8.145 7.303 0.842 18374 12887 1 45 . 1 1 10 10 ALA N N 10 126.188 126.188 129.846 -3.658 18374 12888 1 45 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.648 -0.116 18374 12889 1 45 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.454 -0.117 18374 12890 1 45 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.200 -0.407 18374 12891 1 45 . 1 1 10 10 ALA H H 10 8.324 8.324 8.262 0.062 18374 12892 1 45 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.422 -0.058 18374 12893 1 45 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.875 1.033 18374 12894 1 45 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.968 1.901 18374 12895 1 45 . 1 1 12 12 GLY N N 12 108.951 108.951 110.806 -1.855 18374 12896 1 45 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.654 -0.433 18374 12897 1 45 . 1 1 12 12 GLY H H 12 8.501 8.501 8.574 -0.073 18374 12898 1 45 . 1 1 13 13 ALA N N 13 123.134 123.134 125.643 -2.509 18374 12899 1 45 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.681 -0.447 18374 12900 1 45 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.223 -0.114 18374 12901 1 45 . 1 1 13 13 ALA CB C 13 19.525 19.525 20.669 -1.144 18374 12902 1 45 . 1 1 13 13 ALA H H 13 7.957 7.957 7.970 -0.013 18374 12903 1 45 . 1 1 14 14 ARG N N 14 116.759 116.759 122.386 -5.627 18374 12904 1 45 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.488 -0.369 18374 12905 1 45 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.691 -1.881 18374 12906 1 45 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.022 -1.569 18374 12907 1 45 . 1 1 14 14 ARG H H 14 7.990 7.990 8.156 -0.166 18374 12908 1 45 . 1 1 15 15 CYS N N 15 123.688 123.688 125.211 -1.523 18374 12909 1 45 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.728 -0.711 18374 12910 1 45 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.474 -0.364 18374 12911 1 45 . 1 1 15 15 CYS CB C 15 31.057 31.057 28.052 3.005 18374 12912 1 45 . 1 1 15 15 CYS H H 15 7.646 7.646 8.528 -0.882 18374 12913 1 45 . 1 1 16 16 GLY N N 16 117.749 117.749 116.127 1.622 18374 12914 1 45 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.077 -0.292 18374 12915 1 45 . 1 1 16 16 GLY H H 16 8.916 8.916 9.214 -0.298 18374 12916 1 45 . 1 1 17 17 VAL N N 17 122.602 122.602 120.123 2.479 18374 12917 1 45 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.112 -0.098 18374 12918 1 45 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.440 0.591 18374 12919 1 45 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.156 0.684 18374 12920 1 45 . 1 1 17 17 VAL H H 17 8.856 8.856 7.989 0.867 18374 12921 1 45 . 1 1 18 18 CYS N N 18 115.430 115.430 117.291 -1.861 18374 12922 1 45 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.741 0.185 18374 12923 1 45 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.226 -1.047 18374 12924 1 45 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.063 1.548 18374 12925 1 45 . 1 1 18 18 CYS H H 18 7.758 7.758 7.941 -0.183 18374 12926 1 45 . 1 1 19 19 GLY N N 19 113.040 113.040 110.730 2.310 18374 12927 1 45 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.651 0.706 18374 12928 1 45 . 1 1 19 19 GLY H H 19 8.029 8.029 8.675 -0.646 18374 12929 1 45 . 1 1 20 20 ASP N N 20 123.399 123.399 118.462 4.937 18374 12930 1 45 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.807 0.200 18374 12931 1 45 . 1 1 20 20 ASP CA C 20 53.514 53.514 52.845 0.669 18374 12932 1 45 . 1 1 20 20 ASP CB C 20 44.542 44.542 44.011 0.531 18374 12933 1 45 . 1 1 20 20 ASP H H 20 8.722 8.722 7.457 1.265 18374 12934 1 45 . 1 1 21 21 GLY N N 21 111.371 111.371 108.866 2.505 18374 12935 1 45 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.303 0.804 18374 12936 1 45 . 1 1 21 21 GLY H H 21 8.667 8.667 8.571 0.096 18374 12937 1 45 . 1 1 22 22 THR N N 22 118.220 118.220 119.009 -0.789 18374 12938 1 45 . 1 1 22 22 THR HA H 22 3.979 3.979 4.337 -0.358 18374 12939 1 45 . 1 1 22 22 THR CA C 22 64.367 64.367 63.372 0.995 18374 12940 1 45 . 1 1 22 22 THR CB C 22 67.783 67.783 69.471 -1.688 18374 12941 1 45 . 1 1 22 22 THR H H 22 8.784 8.784 8.760 0.024 18374 12942 1 45 . 1 1 23 23 ASP N N 23 127.251 127.251 123.221 4.030 18374 12943 1 45 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.229 0.072 18374 12944 1 45 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.451 -0.024 18374 12945 1 45 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.948 -0.909 18374 12946 1 45 . 1 1 23 23 ASP H H 23 9.376 9.376 8.880 0.496 18374 12947 1 45 . 1 1 24 24 VAL N N 24 111.371 111.371 116.983 -5.612 18374 12948 1 45 . 1 1 24 24 VAL HA H 24 3.560 3.560 3.659 -0.099 18374 12949 1 45 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.697 1.019 18374 12950 1 45 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.206 -0.915 18374 12951 1 45 . 1 1 24 24 VAL H H 24 7.402 7.402 7.538 -0.136 18374 12952 1 45 . 1 1 25 25 LEU N N 25 123.908 123.908 125.374 -1.466 18374 12953 1 45 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.488 -0.149 18374 12954 1 45 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.851 -1.329 18374 12955 1 45 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.956 -0.514 18374 12956 1 45 . 1 1 25 25 LEU H H 25 8.328 8.328 7.853 0.475 18374 12957 1 45 . 1 1 26 26 ARG N N 26 116.626 116.626 120.456 -3.830 18374 12958 1 45 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.121 -0.020 18374 12959 1 45 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.422 -0.767 18374 12960 1 45 . 1 1 26 26 ARG CB C 26 31.668 31.668 30.686 0.982 18374 12961 1 45 . 1 1 26 26 ARG H H 26 7.877 7.877 8.132 -0.255 18374 12962 1 45 . 1 1 27 27 CYS N N 27 126.328 126.328 125.367 0.961 18374 12963 1 45 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.718 -0.403 18374 12964 1 45 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.423 0.975 18374 12965 1 45 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.093 2.574 18374 12966 1 45 . 1 1 27 27 CYS H H 27 9.182 9.182 8.587 0.595 18374 12967 1 45 . 1 1 28 28 THR N N 28 122.470 122.470 122.081 0.389 18374 12968 1 45 . 1 1 28 28 THR HA H 28 4.166 4.166 4.304 -0.138 18374 12969 1 45 . 1 1 28 28 THR CA C 28 64.686 64.686 63.630 1.056 18374 12970 1 45 . 1 1 28 28 THR CB C 28 69.846 69.846 69.136 0.710 18374 12971 1 45 . 1 1 28 28 THR H H 28 8.956 8.956 8.922 0.034 18374 12972 1 45 . 1 1 29 29 HIS N N 29 123.908 123.908 119.174 4.734 18374 12973 1 45 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.646 0.263 18374 12974 1 45 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.189 0.915 18374 12975 1 45 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.042 -0.497 18374 12976 1 45 . 1 1 29 29 HIS H H 29 9.464 9.464 8.368 1.096 18374 12977 1 45 . 1 1 30 30 CYS N N 30 119.946 119.946 115.077 4.869 18374 12978 1 45 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.771 0.040 18374 12979 1 45 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.679 2.411 18374 12980 1 45 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.438 2.460 18374 12981 1 45 . 1 1 30 30 CYS H H 30 8.710 8.710 7.808 0.902 18374 12982 1 45 . 1 1 31 31 ALA N N 31 120.477 120.477 124.704 -4.227 18374 12983 1 45 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.423 -0.139 18374 12984 1 45 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.775 2.715 18374 12985 1 45 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.189 -1.771 18374 12986 1 45 . 1 1 31 31 ALA H H 31 7.626 7.626 8.386 -0.760 18374 12987 1 45 . 1 1 32 32 ALA N N 32 125.524 125.524 126.188 -0.664 18374 12988 1 45 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.603 -0.357 18374 12989 1 45 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.593 1.247 18374 12990 1 45 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.212 -0.878 18374 12991 1 45 . 1 1 32 32 ALA H H 32 9.152 9.152 8.322 0.830 18374 12992 1 45 . 1 1 33 33 ALA N N 33 123.257 123.257 126.734 -3.477 18374 12993 1 45 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.752 -0.342 18374 12994 1 45 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.269 -0.463 18374 12995 1 45 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.104 -0.476 18374 12996 1 45 . 1 1 33 33 ALA H H 33 8.490 8.490 8.468 0.022 18374 12997 1 45 . 1 1 34 34 PHE N N 34 118.220 118.220 120.717 -2.497 18374 12998 1 45 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.856 0.218 18374 12999 1 45 . 1 1 34 34 PHE CA C 34 55.762 55.762 55.813 -0.051 18374 13000 1 45 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.448 -2.226 18374 13001 1 45 . 1 1 34 34 PHE H H 34 8.948 8.948 8.544 0.404 18374 13002 1 45 . 1 1 35 35 HIS N N 35 116.759 116.759 122.509 -5.750 18374 13003 1 45 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.667 0.219 18374 13004 1 45 . 1 1 35 35 HIS CA C 35 56.138 56.138 56.079 0.059 18374 13005 1 45 . 1 1 35 35 HIS CB C 35 32.023 32.023 30.585 1.438 18374 13006 1 45 . 1 1 35 35 HIS H H 35 7.932 7.932 8.626 -0.694 18374 13007 1 45 . 1 1 36 36 TRP N N 36 127.649 127.649 127.006 0.643 18374 13008 1 45 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.481 -0.043 18374 13009 1 45 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.992 0.381 18374 13010 1 45 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.839 -0.515 18374 13011 1 45 . 1 1 36 36 TRP H H 36 9.421 9.421 9.016 0.405 18374 13012 1 45 . 1 1 37 37 ARG N N 37 113.040 113.040 116.883 -3.843 18374 13013 1 45 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.542 -0.138 18374 13014 1 45 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.690 -1.217 18374 13015 1 45 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.798 -0.631 18374 13016 1 45 . 1 1 37 37 ARG H H 37 9.075 9.075 8.643 0.432 18374 13017 1 45 . 1 1 38 38 CYS N N 38 116.493 116.493 115.759 0.734 18374 13018 1 45 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.461 -0.243 18374 13019 1 45 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.670 1.789 18374 13020 1 45 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.559 3.117 18374 13021 1 45 . 1 1 38 38 CYS H H 38 7.169 7.169 7.967 -0.798 18374 13022 1 45 . 1 1 39 39 HIS N N 39 118.220 118.220 116.503 1.717 18374 13023 1 45 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.387 -0.164 18374 13024 1 45 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.890 1.586 18374 13025 1 45 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.606 3.734 18374 13026 1 45 . 1 1 39 39 HIS H H 39 7.562 7.562 7.744 -0.182 18374 13027 1 45 . 1 1 40 40 PHE N N 40 117.157 117.157 118.769 -1.612 18374 13028 1 45 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.777 0.006 18374 13029 1 45 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.228 -2.569 18374 13030 1 45 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.519 0.288 18374 13031 1 45 . 1 1 40 40 PHE H H 40 8.282 8.282 8.358 -0.076 18374 13032 1 45 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.447 0.040 18374 13033 1 45 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.033 0.186 18374 13034 1 45 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.263 -0.048 18374 13035 1 45 . 1 1 42 42 ALA N N 42 123.001 123.001 123.072 -0.071 18374 13036 1 45 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.162 0.196 18374 13037 1 45 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.164 -1.151 18374 13038 1 45 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.631 0.010 18374 13039 1 45 . 1 1 42 42 ALA H H 42 8.635 8.635 8.585 0.050 18374 13040 1 45 . 1 1 43 43 GLY N N 43 108.291 108.291 104.619 3.672 18374 13041 1 45 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.918 0.548 18374 13042 1 45 . 1 1 43 43 GLY H H 43 8.529 8.529 8.124 0.405 18374 13043 1 45 . 1 1 44 44 THR N N 44 113.961 113.961 117.741 -3.780 18374 13044 1 45 . 1 1 44 44 THR HA H 44 4.424 4.424 4.631 -0.207 18374 13045 1 45 . 1 1 44 44 THR CA C 44 62.074 62.074 61.706 0.368 18374 13046 1 45 . 1 1 44 44 THR CB C 44 70.259 70.259 70.476 -0.217 18374 13047 1 45 . 1 1 44 44 THR H H 44 7.971 7.971 7.937 0.034 18374 13048 1 45 . 1 1 45 45 SER N N 45 120.467 120.467 120.032 0.435 18374 13049 1 45 . 1 1 45 45 SER HA H 45 4.280 4.280 4.615 -0.335 18374 13050 1 45 . 1 1 45 45 SER CA C 45 58.274 58.274 57.694 0.580 18374 13051 1 45 . 1 1 45 45 SER CB C 45 63.906 63.906 64.130 -0.224 18374 13052 1 45 . 1 1 45 45 SER H H 45 8.644 8.644 8.739 -0.095 18374 13053 1 45 . 1 1 46 46 ARG N N 46 124.196 124.196 125.905 -1.709 18374 13054 1 45 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.136 0.784 18374 13055 1 45 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.098 0.054 18374 13056 1 45 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.669 0.233 18374 13057 1 45 . 1 1 46 46 ARG H H 46 8.197 8.197 8.183 0.014 18374 13058 1 45 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.417 -0.119 18374 13059 1 45 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.175 0.643 18374 13060 1 45 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.439 -0.253 18374 13061 1 45 . 1 1 48 48 GLY N N 48 108.071 108.071 109.418 -1.347 18374 13062 1 45 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.571 0.108 18374 13063 1 45 . 1 1 48 48 GLY H H 48 8.492 8.492 8.469 0.023 18374 13064 1 45 . 1 1 49 49 THR N N 49 111.151 111.151 114.047 -2.896 18374 13065 1 45 . 1 1 49 49 THR HA H 49 4.377 4.377 4.416 -0.039 18374 13066 1 45 . 1 1 49 49 THR CA C 49 60.690 60.690 61.751 -1.061 18374 13067 1 45 . 1 1 49 49 THR CB C 49 70.332 70.332 69.278 1.054 18374 13068 1 45 . 1 1 49 49 THR H H 49 7.669 7.669 7.821 -0.152 18374 13069 1 45 . 1 1 50 50 GLY N N 50 110.491 110.491 108.799 1.692 18374 13070 1 45 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.936 1.245 18374 13071 1 45 . 1 1 50 50 GLY H H 50 8.459 8.459 7.479 0.980 18374 13072 1 45 . 1 1 51 51 LEU N N 51 121.407 121.407 123.993 -2.586 18374 13073 1 45 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.528 -0.246 18374 13074 1 45 . 1 1 51 51 LEU CA C 51 56.368 56.368 53.956 2.412 18374 13075 1 45 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.821 -0.001 18374 13076 1 45 . 1 1 51 51 LEU H H 51 8.248 8.248 7.897 0.351 18374 13077 1 45 . 1 1 52 52 ARG N N 52 124.997 124.997 125.261 -0.264 18374 13078 1 45 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.904 0.943 18374 13079 1 45 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.950 -0.819 18374 13080 1 45 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.457 2.528 18374 13081 1 45 . 1 1 52 52 ARG H H 52 8.639 8.639 8.643 -0.004 18374 13082 1 45 . 1 1 53 53 CYS N N 53 120.743 120.743 122.813 -2.070 18374 13083 1 45 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.024 -0.531 18374 13084 1 45 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.551 -0.347 18374 13085 1 45 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.914 1.865 18374 13086 1 45 . 1 1 53 53 CYS H H 53 8.933 8.933 8.588 0.345 18374 13087 1 45 . 1 1 54 54 ARG N N 54 121.407 121.407 120.421 0.986 18374 13088 1 45 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.905 -0.095 18374 13089 1 45 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.693 -0.306 18374 13090 1 45 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.979 -1.096 18374 13091 1 45 . 1 1 54 54 ARG H H 54 10.380 10.380 8.476 1.905 18374 13092 1 45 . 1 1 55 55 SER N N 55 117.300 117.300 114.384 2.916 18374 13093 1 45 . 1 1 55 55 SER HA H 55 4.258 4.258 4.350 -0.092 18374 13094 1 45 . 1 1 55 55 SER CA C 55 61.216 61.216 60.938 0.278 18374 13095 1 45 . 1 1 55 55 SER CB C 55 62.830 62.830 63.622 -0.792 18374 13096 1 45 . 1 1 55 55 SER H H 55 8.228 8.228 8.229 -0.001 18374 13097 1 45 . 1 1 56 56 CYS N N 56 122.602 122.602 120.180 2.422 18374 13098 1 45 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.344 -0.158 18374 13099 1 45 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.561 0.681 18374 13100 1 45 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.140 3.776 18374 13101 1 45 . 1 1 56 56 CYS H H 56 7.999 7.999 7.813 0.186 18374 13102 1 45 . 1 1 57 57 SER N N 57 115.430 115.430 114.090 1.340 18374 13103 1 45 . 1 1 57 57 SER HA H 57 4.266 4.266 4.516 -0.250 18374 13104 1 45 . 1 1 57 57 SER CA C 57 59.992 59.992 58.932 1.060 18374 13105 1 45 . 1 1 57 57 SER CB C 57 63.492 63.492 62.895 0.597 18374 13106 1 45 . 1 1 57 57 SER H H 57 7.938 7.938 7.843 0.095 18374 13107 1 45 . 1 1 58 58 GLY N N 58 109.391 109.391 108.416 0.975 18374 13108 1 45 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.373 0.053 18374 13109 1 45 . 1 1 58 58 GLY H H 58 8.013 8.013 7.359 0.654 18374 13110 1 45 . 1 1 59 59 ASP N N 59 120.345 120.345 121.127 -0.782 18374 13111 1 45 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.819 -0.228 18374 13112 1 45 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.623 0.669 18374 13113 1 45 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.872 -0.789 18374 13114 1 45 . 1 1 59 59 ASP H H 59 8.130 8.130 8.447 -0.317 18374 13115 1 45 . 1 1 60 60 VAL N N 60 119.548 119.548 123.724 -4.176 18374 13116 1 45 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.214 -0.056 18374 13117 1 45 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.215 -0.300 18374 13118 1 45 . 1 1 60 60 VAL CB C 60 32.515 32.515 31.471 1.044 18374 13119 1 45 . 1 1 60 60 VAL H H 60 8.072 8.072 8.453 -0.381 18374 13120 1 45 . 1 1 61 61 THR N N 61 121.407 121.407 125.140 -3.733 18374 13121 1 45 . 1 1 61 61 THR HA H 61 4.509 4.509 4.475 0.034 18374 13122 1 45 . 1 1 61 61 THR CA C 61 59.848 59.848 60.915 -1.067 18374 13123 1 45 . 1 1 61 61 THR CB C 61 69.602 69.602 69.171 0.431 18374 13124 1 45 . 1 1 61 61 THR H H 61 8.335 8.335 8.264 0.071 18374 13125 1 45 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.404 -0.042 18374 13126 1 45 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.746 0.157 18374 13127 1 45 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.351 -0.402 18374 13128 1 45 . 1 1 63 63 ALA N N 63 125.923 125.923 126.867 -0.944 18374 13129 1 45 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.463 0.075 18374 13130 1 45 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.710 -0.442 18374 13131 1 45 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.870 -1.170 18374 13132 1 45 . 1 1 63 63 ALA H H 63 8.368 8.368 8.167 0.201 18374 13133 1 45 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.482 -0.072 18374 13134 1 45 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.867 0.029 18374 13135 1 45 . 1 1 64 64 PRO CB C 64 31.924 31.924 32.449 -0.525 18374 13136 1 45 . 1 1 65 65 VAL N N 65 120.526 120.526 119.287 1.239 18374 13137 1 45 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.303 -0.230 18374 13138 1 45 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.509 -0.183 18374 13139 1 45 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.391 -0.311 18374 13140 1 45 . 1 1 65 65 VAL H H 65 8.270 8.270 8.236 0.034 18374 13141 1 46 . 1 1 2 2 ALA N N 2 123.688 123.688 124.612 -0.924 18374 13142 1 46 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.499 -0.201 18374 13143 1 46 . 1 1 2 2 ALA CA C 2 52.710 52.710 51.883 0.827 18374 13144 1 46 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.097 0.138 18374 13145 1 46 . 1 1 2 2 ALA H H 2 8.653 8.653 8.077 0.576 18374 13146 1 46 . 1 1 3 3 MET N N 3 119.289 119.289 123.981 -4.692 18374 13147 1 46 . 1 1 3 3 MET HA H 3 4.426 4.426 4.516 -0.090 18374 13148 1 46 . 1 1 3 3 MET CA C 3 55.430 55.430 55.559 -0.129 18374 13149 1 46 . 1 1 3 3 MET CB C 3 32.532 32.532 33.297 -0.765 18374 13150 1 46 . 1 1 3 3 MET H H 3 8.545 8.545 8.575 -0.030 18374 13151 1 46 . 1 1 4 4 GLU N N 4 122.149 122.149 126.052 -3.903 18374 13152 1 46 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.452 -0.208 18374 13153 1 46 . 1 1 4 4 GLU CA C 4 57.031 57.031 55.980 1.051 18374 13154 1 46 . 1 1 4 4 GLU CB C 4 30.006 30.006 32.026 -2.021 18374 13155 1 46 . 1 1 4 4 GLU H H 4 8.440 8.440 8.457 -0.017 18374 13156 1 46 . 1 1 5 5 GLY N N 5 110.051 110.051 114.286 -4.235 18374 13157 1 46 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.154 0.254 18374 13158 1 46 . 1 1 5 5 GLY H H 5 8.500 8.500 8.339 0.161 18374 13159 1 46 . 1 1 6 6 GLN N N 6 119.509 119.509 120.519 -1.010 18374 13160 1 46 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.138 0.148 18374 13161 1 46 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.225 -0.225 18374 13162 1 46 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.820 0.388 18374 13163 1 46 . 1 1 6 6 GLN H H 6 8.242 8.242 8.662 -0.420 18374 13164 1 46 . 1 1 7 7 GLN N N 7 121.049 121.049 118.003 3.046 18374 13165 1 46 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.483 -0.222 18374 13166 1 46 . 1 1 7 7 GLN CA C 7 56.104 56.104 54.688 1.415 18374 13167 1 46 . 1 1 7 7 GLN CB C 7 29.204 29.204 30.794 -1.590 18374 13168 1 46 . 1 1 7 7 GLN H H 7 8.534 8.534 7.762 0.772 18374 13169 1 46 . 1 1 8 8 ASN N N 8 119.289 119.289 121.294 -2.005 18374 13170 1 46 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.903 -0.258 18374 13171 1 46 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.841 0.266 18374 13172 1 46 . 1 1 8 8 ASN CB C 8 38.519 38.519 40.151 -1.632 18374 13173 1 46 . 1 1 8 8 ASN H H 8 8.486 8.486 8.577 -0.091 18374 13174 1 46 . 1 1 9 9 LEU N N 9 122.204 122.204 125.720 -3.516 18374 13175 1 46 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.448 -0.157 18374 13176 1 46 . 1 1 9 9 LEU CA C 9 54.716 54.716 53.701 1.015 18374 13177 1 46 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.952 1.445 18374 13178 1 46 . 1 1 9 9 LEU H H 9 8.145 8.145 8.566 -0.421 18374 13179 1 46 . 1 1 10 10 ALA N N 10 126.188 126.188 129.459 -3.271 18374 13180 1 46 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.513 0.019 18374 13181 1 46 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.685 -0.348 18374 13182 1 46 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.944 -1.151 18374 13183 1 46 . 1 1 10 10 ALA H H 10 8.324 8.324 8.237 0.087 18374 13184 1 46 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.324 0.040 18374 13185 1 46 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.044 0.864 18374 13186 1 46 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.334 -0.465 18374 13187 1 46 . 1 1 12 12 GLY N N 12 108.951 108.951 106.227 2.724 18374 13188 1 46 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.252 0.970 18374 13189 1 46 . 1 1 12 12 GLY H H 12 8.501 8.501 7.741 0.760 18374 13190 1 46 . 1 1 13 13 ALA N N 13 123.134 123.134 125.193 -2.059 18374 13191 1 46 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.613 -0.379 18374 13192 1 46 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.239 0.870 18374 13193 1 46 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.947 0.578 18374 13194 1 46 . 1 1 13 13 ALA H H 13 7.957 7.957 8.385 -0.428 18374 13195 1 46 . 1 1 14 14 ARG N N 14 116.759 116.759 121.460 -4.701 18374 13196 1 46 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.561 -0.442 18374 13197 1 46 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.849 -2.039 18374 13198 1 46 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.928 -1.475 18374 13199 1 46 . 1 1 14 14 ARG H H 14 7.990 7.990 7.848 0.142 18374 13200 1 46 . 1 1 15 15 CYS N N 15 123.688 123.688 126.501 -2.813 18374 13201 1 46 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.740 -0.723 18374 13202 1 46 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.706 0.404 18374 13203 1 46 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.302 3.755 18374 13204 1 46 . 1 1 15 15 CYS H H 15 7.646 7.646 8.701 -1.055 18374 13205 1 46 . 1 1 16 16 GLY N N 16 117.749 117.749 116.583 1.166 18374 13206 1 46 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.115 -0.330 18374 13207 1 46 . 1 1 16 16 GLY H H 16 8.916 8.916 9.134 -0.218 18374 13208 1 46 . 1 1 17 17 VAL N N 17 122.602 122.602 120.128 2.474 18374 13209 1 46 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.878 0.136 18374 13210 1 46 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.499 0.532 18374 13211 1 46 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.245 0.595 18374 13212 1 46 . 1 1 17 17 VAL H H 17 8.856 8.856 7.945 0.911 18374 13213 1 46 . 1 1 18 18 CYS N N 18 115.430 115.430 117.163 -1.733 18374 13214 1 46 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.732 0.194 18374 13215 1 46 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.715 -1.536 18374 13216 1 46 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.566 1.045 18374 13217 1 46 . 1 1 18 18 CYS H H 18 7.758 7.758 7.968 -0.210 18374 13218 1 46 . 1 1 19 19 GLY N N 19 113.040 113.040 108.788 4.252 18374 13219 1 46 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.985 1.372 18374 13220 1 46 . 1 1 19 19 GLY H H 19 8.029 8.029 8.664 -0.635 18374 13221 1 46 . 1 1 20 20 ASP N N 20 123.399 123.399 120.716 2.683 18374 13222 1 46 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.872 0.135 18374 13223 1 46 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.561 -0.047 18374 13224 1 46 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.558 0.984 18374 13225 1 46 . 1 1 20 20 ASP H H 20 8.722 8.722 7.633 1.089 18374 13226 1 46 . 1 1 21 21 GLY N N 21 111.371 111.371 107.316 4.055 18374 13227 1 46 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.126 -0.019 18374 13228 1 46 . 1 1 21 21 GLY H H 21 8.667 8.667 8.576 0.091 18374 13229 1 46 . 1 1 22 22 THR N N 22 118.220 118.220 118.275 -0.055 18374 13230 1 46 . 1 1 22 22 THR HA H 22 3.979 3.979 4.307 -0.328 18374 13231 1 46 . 1 1 22 22 THR CA C 22 64.367 64.367 63.828 0.539 18374 13232 1 46 . 1 1 22 22 THR CB C 22 67.783 67.783 68.891 -1.108 18374 13233 1 46 . 1 1 22 22 THR H H 22 8.784 8.784 7.752 1.032 18374 13234 1 46 . 1 1 23 23 ASP N N 23 127.251 127.251 121.280 5.971 18374 13235 1 46 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.255 0.046 18374 13236 1 46 . 1 1 23 23 ASP CA C 23 55.427 55.427 54.879 0.548 18374 13237 1 46 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.314 -0.275 18374 13238 1 46 . 1 1 23 23 ASP H H 23 9.376 9.376 8.798 0.578 18374 13239 1 46 . 1 1 24 24 VAL N N 24 111.371 111.371 118.545 -7.174 18374 13240 1 46 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.333 -0.773 18374 13241 1 46 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.476 0.240 18374 13242 1 46 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.113 -0.821 18374 13243 1 46 . 1 1 24 24 VAL H H 24 7.402 7.402 7.569 -0.167 18374 13244 1 46 . 1 1 25 25 LEU N N 25 123.908 123.908 127.868 -3.960 18374 13245 1 46 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.602 -0.263 18374 13246 1 46 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.620 -1.098 18374 13247 1 46 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.729 -1.287 18374 13248 1 46 . 1 1 25 25 LEU H H 25 8.328 8.328 8.665 -0.337 18374 13249 1 46 . 1 1 26 26 ARG N N 26 116.626 116.626 118.924 -2.298 18374 13250 1 46 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.404 -0.303 18374 13251 1 46 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.098 -0.443 18374 13252 1 46 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.648 0.020 18374 13253 1 46 . 1 1 26 26 ARG H H 26 7.877 7.877 8.250 -0.373 18374 13254 1 46 . 1 1 27 27 CYS N N 27 126.328 126.328 123.309 3.019 18374 13255 1 46 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.731 -0.416 18374 13256 1 46 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.158 1.240 18374 13257 1 46 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.479 2.188 18374 13258 1 46 . 1 1 27 27 CYS H H 27 9.182 9.182 8.476 0.706 18374 13259 1 46 . 1 1 28 28 THR N N 28 122.470 122.470 121.581 0.889 18374 13260 1 46 . 1 1 28 28 THR HA H 28 4.166 4.166 4.404 -0.238 18374 13261 1 46 . 1 1 28 28 THR CA C 28 64.686 64.686 63.946 0.740 18374 13262 1 46 . 1 1 28 28 THR CB C 28 69.846 69.846 69.086 0.760 18374 13263 1 46 . 1 1 28 28 THR H H 28 8.956 8.956 9.083 -0.127 18374 13264 1 46 . 1 1 29 29 HIS N N 29 123.908 123.908 119.414 4.494 18374 13265 1 46 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.717 0.192 18374 13266 1 46 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.638 1.466 18374 13267 1 46 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.876 -0.331 18374 13268 1 46 . 1 1 29 29 HIS H H 29 9.464 9.464 8.698 0.766 18374 13269 1 46 . 1 1 30 30 CYS N N 30 119.946 119.946 115.126 4.820 18374 13270 1 46 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.780 0.031 18374 13271 1 46 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.801 2.289 18374 13272 1 46 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.466 2.432 18374 13273 1 46 . 1 1 30 30 CYS H H 30 8.710 8.710 7.490 1.220 18374 13274 1 46 . 1 1 31 31 ALA N N 31 120.477 120.477 124.602 -4.125 18374 13275 1 46 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.414 -0.130 18374 13276 1 46 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.723 2.767 18374 13277 1 46 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.304 -1.886 18374 13278 1 46 . 1 1 31 31 ALA H H 31 7.626 7.626 8.362 -0.736 18374 13279 1 46 . 1 1 32 32 ALA N N 32 125.524 125.524 126.150 -0.626 18374 13280 1 46 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.568 -0.322 18374 13281 1 46 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.345 1.495 18374 13282 1 46 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.914 -1.580 18374 13283 1 46 . 1 1 32 32 ALA H H 32 9.152 9.152 8.224 0.928 18374 13284 1 46 . 1 1 33 33 ALA N N 33 123.257 123.257 126.263 -3.006 18374 13285 1 46 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.837 -0.427 18374 13286 1 46 . 1 1 33 33 ALA CA C 33 49.806 49.806 49.858 -0.052 18374 13287 1 46 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.917 -1.289 18374 13288 1 46 . 1 1 33 33 ALA H H 33 8.490 8.490 8.672 -0.182 18374 13289 1 46 . 1 1 34 34 PHE N N 34 118.220 118.220 119.402 -1.182 18374 13290 1 46 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.824 0.250 18374 13291 1 46 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.671 -0.909 18374 13292 1 46 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.874 -1.652 18374 13293 1 46 . 1 1 34 34 PHE H H 34 8.948 8.948 8.395 0.553 18374 13294 1 46 . 1 1 35 35 HIS N N 35 116.759 116.759 120.989 -4.230 18374 13295 1 46 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.890 -0.004 18374 13296 1 46 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.792 1.346 18374 13297 1 46 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.372 0.651 18374 13298 1 46 . 1 1 35 35 HIS H H 35 7.932 7.932 8.159 -0.227 18374 13299 1 46 . 1 1 36 36 TRP N N 36 127.649 127.649 127.377 0.272 18374 13300 1 46 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.687 -0.249 18374 13301 1 46 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.339 0.034 18374 13302 1 46 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.910 -0.586 18374 13303 1 46 . 1 1 36 36 TRP H H 36 9.421 9.421 9.086 0.335 18374 13304 1 46 . 1 1 37 37 ARG N N 37 113.040 113.040 115.443 -2.403 18374 13305 1 46 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.171 0.233 18374 13306 1 46 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.735 -1.262 18374 13307 1 46 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.674 -0.507 18374 13308 1 46 . 1 1 37 37 ARG H H 37 9.075 9.075 8.465 0.610 18374 13309 1 46 . 1 1 38 38 CYS N N 38 116.493 116.493 115.448 1.045 18374 13310 1 46 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.529 -0.311 18374 13311 1 46 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.608 1.851 18374 13312 1 46 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.792 2.884 18374 13313 1 46 . 1 1 38 38 CYS H H 38 7.169 7.169 8.032 -0.863 18374 13314 1 46 . 1 1 39 39 HIS N N 39 118.220 118.220 116.718 1.502 18374 13315 1 46 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.235 -0.012 18374 13316 1 46 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.549 0.927 18374 13317 1 46 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.147 4.193 18374 13318 1 46 . 1 1 39 39 HIS H H 39 7.562 7.562 7.641 -0.079 18374 13319 1 46 . 1 1 40 40 PHE N N 40 117.157 117.157 116.490 0.667 18374 13320 1 46 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.851 -0.068 18374 13321 1 46 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.951 -2.292 18374 13322 1 46 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.751 0.056 18374 13323 1 46 . 1 1 40 40 PHE H H 40 8.282 8.282 8.133 0.149 18374 13324 1 46 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.560 -0.073 18374 13325 1 46 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.654 -0.435 18374 13326 1 46 . 1 1 41 41 PRO CB C 41 32.215 32.215 31.553 0.662 18374 13327 1 46 . 1 1 42 42 ALA N N 42 123.001 123.001 120.853 2.148 18374 13328 1 46 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.381 -0.023 18374 13329 1 46 . 1 1 42 42 ALA CA C 42 53.013 53.013 51.858 1.155 18374 13330 1 46 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.737 -0.096 18374 13331 1 46 . 1 1 42 42 ALA H H 42 8.635 8.635 8.200 0.435 18374 13332 1 46 . 1 1 43 43 GLY N N 43 108.291 108.291 107.373 0.918 18374 13333 1 46 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.864 0.602 18374 13334 1 46 . 1 1 43 43 GLY H H 43 8.529 8.529 7.989 0.540 18374 13335 1 46 . 1 1 44 44 THR N N 44 113.961 113.961 116.441 -2.480 18374 13336 1 46 . 1 1 44 44 THR HA H 44 4.424 4.424 4.277 0.147 18374 13337 1 46 . 1 1 44 44 THR CA C 44 62.074 62.074 63.242 -1.168 18374 13338 1 46 . 1 1 44 44 THR CB C 44 70.259 70.259 69.498 0.761 18374 13339 1 46 . 1 1 44 44 THR H H 44 7.971 7.971 7.948 0.023 18374 13340 1 46 . 1 1 45 45 SER N N 45 120.467 120.467 118.319 2.148 18374 13341 1 46 . 1 1 45 45 SER HA H 45 4.280 4.280 4.692 -0.412 18374 13342 1 46 . 1 1 45 45 SER CA C 45 58.274 58.274 57.213 1.061 18374 13343 1 46 . 1 1 45 45 SER CB C 45 63.906 63.906 64.057 -0.151 18374 13344 1 46 . 1 1 45 45 SER H H 45 8.644 8.644 8.449 0.195 18374 13345 1 46 . 1 1 46 46 ARG N N 46 124.196 124.196 127.404 -3.208 18374 13346 1 46 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.249 0.671 18374 13347 1 46 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.634 -0.482 18374 13348 1 46 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.437 0.465 18374 13349 1 46 . 1 1 46 46 ARG H H 46 8.197 8.197 8.281 -0.084 18374 13350 1 46 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.447 -0.149 18374 13351 1 46 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.171 0.647 18374 13352 1 46 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.619 -0.433 18374 13353 1 46 . 1 1 48 48 GLY N N 48 108.071 108.071 109.672 -1.601 18374 13354 1 46 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.739 -0.060 18374 13355 1 46 . 1 1 48 48 GLY H H 48 8.492 8.492 8.588 -0.096 18374 13356 1 46 . 1 1 49 49 THR N N 49 111.151 111.151 113.259 -2.108 18374 13357 1 46 . 1 1 49 49 THR HA H 49 4.377 4.377 4.359 0.018 18374 13358 1 46 . 1 1 49 49 THR CA C 49 60.690 60.690 60.620 0.070 18374 13359 1 46 . 1 1 49 49 THR CB C 49 70.332 70.332 68.470 1.862 18374 13360 1 46 . 1 1 49 49 THR H H 49 7.669 7.669 7.669 -0.000 18374 13361 1 46 . 1 1 50 50 GLY N N 50 110.491 110.491 108.489 2.002 18374 13362 1 46 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.495 1.686 18374 13363 1 46 . 1 1 50 50 GLY H H 50 8.459 8.459 7.194 1.265 18374 13364 1 46 . 1 1 51 51 LEU N N 51 121.407 121.407 123.192 -1.785 18374 13365 1 46 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.422 -0.140 18374 13366 1 46 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.717 1.651 18374 13367 1 46 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.656 0.163 18374 13368 1 46 . 1 1 51 51 LEU H H 51 8.248 8.248 8.382 -0.134 18374 13369 1 46 . 1 1 52 52 ARG N N 52 124.997 124.997 125.559 -0.562 18374 13370 1 46 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.829 1.018 18374 13371 1 46 . 1 1 52 52 ARG CA C 52 54.131 54.131 55.129 -0.998 18374 13372 1 46 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.840 2.145 18374 13373 1 46 . 1 1 52 52 ARG H H 52 8.639 8.639 8.561 0.078 18374 13374 1 46 . 1 1 53 53 CYS N N 53 120.743 120.743 121.903 -1.160 18374 13375 1 46 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.716 -1.223 18374 13376 1 46 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.857 0.347 18374 13377 1 46 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.951 0.828 18374 13378 1 46 . 1 1 53 53 CYS H H 53 8.933 8.933 8.534 0.399 18374 13379 1 46 . 1 1 54 54 ARG N N 54 121.407 121.407 119.681 1.726 18374 13380 1 46 . 1 1 54 54 ARG HA H 54 3.810 3.810 3.993 -0.183 18374 13381 1 46 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.646 -0.259 18374 13382 1 46 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.645 -0.762 18374 13383 1 46 . 1 1 54 54 ARG H H 54 10.380 10.380 8.740 1.640 18374 13384 1 46 . 1 1 55 55 SER N N 55 117.300 117.300 115.175 2.125 18374 13385 1 46 . 1 1 55 55 SER HA H 55 4.258 4.258 4.283 -0.025 18374 13386 1 46 . 1 1 55 55 SER CA C 55 61.216 61.216 61.172 0.044 18374 13387 1 46 . 1 1 55 55 SER CB C 55 62.830 62.830 63.119 -0.289 18374 13388 1 46 . 1 1 55 55 SER H H 55 8.228 8.228 8.049 0.179 18374 13389 1 46 . 1 1 56 56 CYS N N 56 122.602 122.602 120.152 2.450 18374 13390 1 46 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.331 -0.145 18374 13391 1 46 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.827 0.415 18374 13392 1 46 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.312 3.604 18374 13393 1 46 . 1 1 56 56 CYS H H 56 7.999 7.999 8.034 -0.035 18374 13394 1 46 . 1 1 57 57 SER N N 57 115.430 115.430 114.526 0.904 18374 13395 1 46 . 1 1 57 57 SER HA H 57 4.266 4.266 4.524 -0.258 18374 13396 1 46 . 1 1 57 57 SER CA C 57 59.992 59.992 59.702 0.290 18374 13397 1 46 . 1 1 57 57 SER CB C 57 63.492 63.492 63.981 -0.489 18374 13398 1 46 . 1 1 57 57 SER H H 57 7.938 7.938 7.944 -0.006 18374 13399 1 46 . 1 1 58 58 GLY N N 58 109.391 109.391 110.506 -1.115 18374 13400 1 46 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.497 0.929 18374 13401 1 46 . 1 1 58 58 GLY H H 58 8.013 8.013 7.462 0.551 18374 13402 1 46 . 1 1 59 59 ASP N N 59 120.345 120.345 125.108 -4.763 18374 13403 1 46 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.651 -0.060 18374 13404 1 46 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.435 0.857 18374 13405 1 46 . 1 1 59 59 ASP CB C 59 41.083 41.083 42.115 -1.032 18374 13406 1 46 . 1 1 59 59 ASP H H 59 8.130 8.130 7.960 0.170 18374 13407 1 46 . 1 1 60 60 VAL N N 60 119.548 119.548 120.708 -1.160 18374 13408 1 46 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.268 -0.110 18374 13409 1 46 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.748 0.167 18374 13410 1 46 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.877 -0.362 18374 13411 1 46 . 1 1 60 60 VAL H H 60 8.072 8.072 8.326 -0.254 18374 13412 1 46 . 1 1 61 61 THR N N 61 121.407 121.407 120.503 0.904 18374 13413 1 46 . 1 1 61 61 THR HA H 61 4.509 4.509 4.614 -0.105 18374 13414 1 46 . 1 1 61 61 THR CA C 61 59.848 59.848 60.108 -0.260 18374 13415 1 46 . 1 1 61 61 THR CB C 61 69.602 69.602 68.699 0.903 18374 13416 1 46 . 1 1 61 61 THR H H 61 8.335 8.335 8.353 -0.018 18374 13417 1 46 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.437 -0.075 18374 13418 1 46 . 1 1 62 62 PRO CA C 62 62.903 62.903 63.023 -0.120 18374 13419 1 46 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.269 -0.320 18374 13420 1 46 . 1 1 63 63 ALA N N 63 125.923 125.923 128.368 -2.445 18374 13421 1 46 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.515 0.023 18374 13422 1 46 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.387 -0.119 18374 13423 1 46 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.176 -1.476 18374 13424 1 46 . 1 1 63 63 ALA H H 63 8.368 8.368 8.297 0.071 18374 13425 1 46 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.466 -0.056 18374 13426 1 46 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.723 0.174 18374 13427 1 46 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.989 1.935 18374 13428 1 46 . 1 1 65 65 VAL N N 65 120.526 120.526 121.425 -0.899 18374 13429 1 46 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.082 -0.009 18374 13430 1 46 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.508 -0.182 18374 13431 1 46 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.998 0.082 18374 13432 1 46 . 1 1 65 65 VAL H H 65 8.270 8.270 7.739 0.531 18374 13433 1 47 . 1 1 2 2 ALA N N 2 123.688 123.688 121.503 2.185 18374 13434 1 47 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.513 -0.215 18374 13435 1 47 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.666 0.044 18374 13436 1 47 . 1 1 2 2 ALA CB C 2 19.235 19.235 19.181 0.054 18374 13437 1 47 . 1 1 2 2 ALA H H 2 8.653 8.653 8.187 0.466 18374 13438 1 47 . 1 1 3 3 MET N N 3 119.289 119.289 118.672 0.617 18374 13439 1 47 . 1 1 3 3 MET HA H 3 4.426 4.426 4.543 -0.117 18374 13440 1 47 . 1 1 3 3 MET CA C 3 55.430 55.430 54.988 0.442 18374 13441 1 47 . 1 1 3 3 MET CB C 3 32.532 32.532 31.716 0.816 18374 13442 1 47 . 1 1 3 3 MET H H 3 8.545 8.545 7.725 0.820 18374 13443 1 47 . 1 1 4 4 GLU N N 4 122.149 122.149 127.016 -4.867 18374 13444 1 47 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.411 -0.167 18374 13445 1 47 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.761 0.270 18374 13446 1 47 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.573 -0.567 18374 13447 1 47 . 1 1 4 4 GLU H H 4 8.440 8.440 8.778 -0.338 18374 13448 1 47 . 1 1 5 5 GLY N N 5 110.051 110.051 107.766 2.285 18374 13449 1 47 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.036 0.372 18374 13450 1 47 . 1 1 5 5 GLY H H 5 8.500 8.500 7.524 0.976 18374 13451 1 47 . 1 1 6 6 GLN N N 6 119.509 119.509 121.516 -2.007 18374 13452 1 47 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.137 0.149 18374 13453 1 47 . 1 1 6 6 GLN CA C 6 56.000 56.000 58.010 -2.010 18374 13454 1 47 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.682 0.526 18374 13455 1 47 . 1 1 6 6 GLN H H 6 8.242 8.242 8.722 -0.480 18374 13456 1 47 . 1 1 7 7 GLN N N 7 121.049 121.049 114.818 6.231 18374 13457 1 47 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.259 0.002 18374 13458 1 47 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.351 -0.247 18374 13459 1 47 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.853 1.351 18374 13460 1 47 . 1 1 7 7 GLN H H 7 8.534 8.534 8.313 0.221 18374 13461 1 47 . 1 1 8 8 ASN N N 8 119.289 119.289 117.563 1.726 18374 13462 1 47 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.784 -0.139 18374 13463 1 47 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.870 0.236 18374 13464 1 47 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.865 -0.346 18374 13465 1 47 . 1 1 8 8 ASN H H 8 8.486 8.486 7.652 0.834 18374 13466 1 47 . 1 1 9 9 LEU N N 9 122.204 122.204 123.202 -0.998 18374 13467 1 47 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.341 -0.050 18374 13468 1 47 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.920 -0.204 18374 13469 1 47 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.822 1.575 18374 13470 1 47 . 1 1 9 9 LEU H H 9 8.145 8.145 7.404 0.741 18374 13471 1 47 . 1 1 10 10 ALA N N 10 126.188 126.188 131.606 -5.418 18374 13472 1 47 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.576 -0.044 18374 13473 1 47 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.498 -0.161 18374 13474 1 47 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.891 -1.098 18374 13475 1 47 . 1 1 10 10 ALA H H 10 8.324 8.324 8.412 -0.088 18374 13476 1 47 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.437 -0.073 18374 13477 1 47 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.874 1.034 18374 13478 1 47 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.122 1.747 18374 13479 1 47 . 1 1 12 12 GLY N N 12 108.951 108.951 108.748 0.203 18374 13480 1 47 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.708 -0.487 18374 13481 1 47 . 1 1 12 12 GLY H H 12 8.501 8.501 8.363 0.138 18374 13482 1 47 . 1 1 13 13 ALA N N 13 123.134 123.134 122.476 0.658 18374 13483 1 47 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.555 -0.321 18374 13484 1 47 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.254 0.855 18374 13485 1 47 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.655 0.870 18374 13486 1 47 . 1 1 13 13 ALA H H 13 7.957 7.957 7.987 -0.030 18374 13487 1 47 . 1 1 14 14 ARG N N 14 116.759 116.759 121.590 -4.831 18374 13488 1 47 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.528 -0.409 18374 13489 1 47 . 1 1 14 14 ARG CA C 14 53.810 53.810 56.172 -2.362 18374 13490 1 47 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.099 -0.646 18374 13491 1 47 . 1 1 14 14 ARG H H 14 7.990 7.990 8.152 -0.162 18374 13492 1 47 . 1 1 15 15 CYS N N 15 123.688 123.688 126.846 -3.158 18374 13493 1 47 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.676 -0.659 18374 13494 1 47 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.189 0.921 18374 13495 1 47 . 1 1 15 15 CYS CB C 15 31.057 31.057 28.409 2.648 18374 13496 1 47 . 1 1 15 15 CYS H H 15 7.646 7.646 8.798 -1.152 18374 13497 1 47 . 1 1 16 16 GLY N N 16 117.749 117.749 116.656 1.093 18374 13498 1 47 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.143 -0.358 18374 13499 1 47 . 1 1 16 16 GLY H H 16 8.916 8.916 9.097 -0.181 18374 13500 1 47 . 1 1 17 17 VAL N N 17 122.602 122.602 120.003 2.599 18374 13501 1 47 . 1 1 17 17 VAL HA H 17 4.014 4.014 4.077 -0.063 18374 13502 1 47 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.299 0.732 18374 13503 1 47 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.138 0.702 18374 13504 1 47 . 1 1 17 17 VAL H H 17 8.856 8.856 7.854 1.002 18374 13505 1 47 . 1 1 18 18 CYS N N 18 115.430 115.430 117.361 -1.931 18374 13506 1 47 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.690 0.236 18374 13507 1 47 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.716 -1.537 18374 13508 1 47 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.284 1.327 18374 13509 1 47 . 1 1 18 18 CYS H H 18 7.758 7.758 7.944 -0.186 18374 13510 1 47 . 1 1 19 19 GLY N N 19 113.040 113.040 108.906 4.134 18374 13511 1 47 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.320 1.037 18374 13512 1 47 . 1 1 19 19 GLY H H 19 8.029 8.029 8.623 -0.594 18374 13513 1 47 . 1 1 20 20 ASP N N 20 123.399 123.399 120.931 2.468 18374 13514 1 47 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.771 0.236 18374 13515 1 47 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.051 -0.537 18374 13516 1 47 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.543 1.999 18374 13517 1 47 . 1 1 20 20 ASP H H 20 8.722 8.722 7.736 0.986 18374 13518 1 47 . 1 1 21 21 GLY N N 21 111.371 111.371 107.970 3.401 18374 13519 1 47 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.100 0.007 18374 13520 1 47 . 1 1 21 21 GLY H H 21 8.667 8.667 8.610 0.057 18374 13521 1 47 . 1 1 22 22 THR N N 22 118.220 118.220 117.995 0.225 18374 13522 1 47 . 1 1 22 22 THR HA H 22 3.979 3.979 4.330 -0.351 18374 13523 1 47 . 1 1 22 22 THR CA C 22 64.367 64.367 64.119 0.248 18374 13524 1 47 . 1 1 22 22 THR CB C 22 67.783 67.783 68.993 -1.210 18374 13525 1 47 . 1 1 22 22 THR H H 22 8.784 8.784 7.737 1.047 18374 13526 1 47 . 1 1 23 23 ASP N N 23 127.251 127.251 122.741 4.510 18374 13527 1 47 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.268 0.033 18374 13528 1 47 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.093 0.334 18374 13529 1 47 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.150 -1.111 18374 13530 1 47 . 1 1 23 23 ASP H H 23 9.376 9.376 8.967 0.409 18374 13531 1 47 . 1 1 24 24 VAL N N 24 111.371 111.371 118.130 -6.759 18374 13532 1 47 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.297 -0.737 18374 13533 1 47 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.952 -0.236 18374 13534 1 47 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.113 -0.821 18374 13535 1 47 . 1 1 24 24 VAL H H 24 7.402 7.402 7.568 -0.166 18374 13536 1 47 . 1 1 25 25 LEU N N 25 123.908 123.908 129.706 -5.798 18374 13537 1 47 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.519 -0.180 18374 13538 1 47 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.684 -1.162 18374 13539 1 47 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.044 -0.602 18374 13540 1 47 . 1 1 25 25 LEU H H 25 8.328 8.328 8.791 -0.463 18374 13541 1 47 . 1 1 26 26 ARG N N 26 116.626 116.626 118.554 -1.928 18374 13542 1 47 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.433 -0.332 18374 13543 1 47 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.596 -0.941 18374 13544 1 47 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.472 -0.804 18374 13545 1 47 . 1 1 26 26 ARG H H 26 7.877 7.877 7.974 -0.097 18374 13546 1 47 . 1 1 27 27 CYS N N 27 126.328 126.328 122.144 4.184 18374 13547 1 47 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.856 -0.541 18374 13548 1 47 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.588 1.810 18374 13549 1 47 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.032 1.635 18374 13550 1 47 . 1 1 27 27 CYS H H 27 9.182 9.182 8.576 0.606 18374 13551 1 47 . 1 1 28 28 THR N N 28 122.470 122.470 121.486 0.984 18374 13552 1 47 . 1 1 28 28 THR HA H 28 4.166 4.166 4.409 -0.243 18374 13553 1 47 . 1 1 28 28 THR CA C 28 64.686 64.686 64.147 0.539 18374 13554 1 47 . 1 1 28 28 THR CB C 28 69.846 69.846 69.071 0.775 18374 13555 1 47 . 1 1 28 28 THR H H 28 8.956 8.956 9.024 -0.068 18374 13556 1 47 . 1 1 29 29 HIS N N 29 123.908 123.908 119.399 4.509 18374 13557 1 47 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.634 0.275 18374 13558 1 47 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.047 1.056 18374 13559 1 47 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.212 -0.667 18374 13560 1 47 . 1 1 29 29 HIS H H 29 9.464 9.464 8.377 1.087 18374 13561 1 47 . 1 1 30 30 CYS N N 30 119.946 119.946 115.150 4.796 18374 13562 1 47 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.764 0.047 18374 13563 1 47 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.703 2.387 18374 13564 1 47 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.611 2.287 18374 13565 1 47 . 1 1 30 30 CYS H H 30 8.710 8.710 7.768 0.942 18374 13566 1 47 . 1 1 31 31 ALA N N 31 120.477 120.477 124.612 -4.135 18374 13567 1 47 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.499 -0.215 18374 13568 1 47 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.826 2.664 18374 13569 1 47 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.974 -1.556 18374 13570 1 47 . 1 1 31 31 ALA H H 31 7.626 7.626 8.334 -0.708 18374 13571 1 47 . 1 1 32 32 ALA N N 32 125.524 125.524 125.792 -0.268 18374 13572 1 47 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.540 -0.294 18374 13573 1 47 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.440 1.400 18374 13574 1 47 . 1 1 32 32 ALA CB C 32 20.334 20.334 22.164 -1.830 18374 13575 1 47 . 1 1 32 32 ALA H H 32 9.152 9.152 8.290 0.862 18374 13576 1 47 . 1 1 33 33 ALA N N 33 123.257 123.257 127.031 -3.774 18374 13577 1 47 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.675 -0.265 18374 13578 1 47 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.045 -0.239 18374 13579 1 47 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.074 -0.446 18374 13580 1 47 . 1 1 33 33 ALA H H 33 8.490 8.490 8.816 -0.326 18374 13581 1 47 . 1 1 34 34 PHE N N 34 118.220 118.220 120.961 -2.741 18374 13582 1 47 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.870 0.204 18374 13583 1 47 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.681 -0.919 18374 13584 1 47 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.045 -1.823 18374 13585 1 47 . 1 1 34 34 PHE H H 34 8.948 8.948 8.558 0.390 18374 13586 1 47 . 1 1 35 35 HIS N N 35 116.759 116.759 120.346 -3.587 18374 13587 1 47 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.924 -0.038 18374 13588 1 47 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.453 1.685 18374 13589 1 47 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.994 0.029 18374 13590 1 47 . 1 1 35 35 HIS H H 35 7.932 7.932 8.119 -0.187 18374 13591 1 47 . 1 1 36 36 TRP N N 36 127.649 127.649 126.919 0.730 18374 13592 1 47 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.562 -0.124 18374 13593 1 47 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.355 0.018 18374 13594 1 47 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.962 -0.638 18374 13595 1 47 . 1 1 36 36 TRP H H 36 9.421 9.421 9.030 0.391 18374 13596 1 47 . 1 1 37 37 ARG N N 37 113.040 113.040 115.575 -2.535 18374 13597 1 47 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.456 -0.052 18374 13598 1 47 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.583 -1.110 18374 13599 1 47 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.705 -0.538 18374 13600 1 47 . 1 1 37 37 ARG H H 37 9.075 9.075 8.484 0.591 18374 13601 1 47 . 1 1 38 38 CYS N N 38 116.493 116.493 115.512 0.981 18374 13602 1 47 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.505 -0.287 18374 13603 1 47 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.294 2.165 18374 13604 1 47 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.942 2.734 18374 13605 1 47 . 1 1 38 38 CYS H H 38 7.169 7.169 7.835 -0.666 18374 13606 1 47 . 1 1 39 39 HIS N N 39 118.220 118.220 116.934 1.286 18374 13607 1 47 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.425 -0.202 18374 13608 1 47 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.868 0.608 18374 13609 1 47 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.710 3.630 18374 13610 1 47 . 1 1 39 39 HIS H H 39 7.562 7.562 7.644 -0.082 18374 13611 1 47 . 1 1 40 40 PHE N N 40 117.157 117.157 117.753 -0.596 18374 13612 1 47 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.702 0.081 18374 13613 1 47 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.463 -2.804 18374 13614 1 47 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.047 -1.240 18374 13615 1 47 . 1 1 40 40 PHE H H 40 8.282 8.282 8.338 -0.056 18374 13616 1 47 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.456 0.031 18374 13617 1 47 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.089 0.130 18374 13618 1 47 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.193 0.022 18374 13619 1 47 . 1 1 42 42 ALA N N 42 123.001 123.001 123.879 -0.878 18374 13620 1 47 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.212 0.146 18374 13621 1 47 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.029 -1.016 18374 13622 1 47 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.615 0.026 18374 13623 1 47 . 1 1 42 42 ALA H H 42 8.635 8.635 8.594 0.041 18374 13624 1 47 . 1 1 43 43 GLY N N 43 108.291 108.291 105.169 3.122 18374 13625 1 47 . 1 1 43 43 GLY CA C 43 45.466 45.466 44.844 0.621 18374 13626 1 47 . 1 1 43 43 GLY H H 43 8.529 8.529 8.087 0.442 18374 13627 1 47 . 1 1 44 44 THR N N 44 113.961 113.961 119.056 -5.095 18374 13628 1 47 . 1 1 44 44 THR HA H 44 4.424 4.424 4.535 -0.111 18374 13629 1 47 . 1 1 44 44 THR CA C 44 62.074 62.074 62.120 -0.046 18374 13630 1 47 . 1 1 44 44 THR CB C 44 70.259 70.259 69.936 0.323 18374 13631 1 47 . 1 1 44 44 THR H H 44 7.971 7.971 7.956 0.015 18374 13632 1 47 . 1 1 45 45 SER N N 45 120.467 120.467 122.240 -1.773 18374 13633 1 47 . 1 1 45 45 SER HA H 45 4.280 4.280 4.571 -0.291 18374 13634 1 47 . 1 1 45 45 SER CA C 45 58.274 58.274 57.853 0.421 18374 13635 1 47 . 1 1 45 45 SER CB C 45 63.906 63.906 64.053 -0.147 18374 13636 1 47 . 1 1 45 45 SER H H 45 8.644 8.644 8.627 0.017 18374 13637 1 47 . 1 1 46 46 ARG N N 46 124.196 124.196 123.407 0.789 18374 13638 1 47 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.516 0.404 18374 13639 1 47 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.272 -0.120 18374 13640 1 47 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.854 1.048 18374 13641 1 47 . 1 1 46 46 ARG H H 46 8.197 8.197 8.204 -0.007 18374 13642 1 47 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.327 -0.029 18374 13643 1 47 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.585 0.233 18374 13644 1 47 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.054 0.132 18374 13645 1 47 . 1 1 48 48 GLY N N 48 108.071 108.071 110.741 -2.670 18374 13646 1 47 . 1 1 48 48 GLY CA C 48 45.679 45.679 46.511 -0.832 18374 13647 1 47 . 1 1 48 48 GLY H H 48 8.492 8.492 8.569 -0.077 18374 13648 1 47 . 1 1 49 49 THR N N 49 111.151 111.151 114.588 -3.437 18374 13649 1 47 . 1 1 49 49 THR HA H 49 4.377 4.377 4.448 -0.071 18374 13650 1 47 . 1 1 49 49 THR CA C 49 60.690 60.690 61.983 -1.293 18374 13651 1 47 . 1 1 49 49 THR CB C 49 70.332 70.332 69.512 0.820 18374 13652 1 47 . 1 1 49 49 THR H H 49 7.669 7.669 7.790 -0.121 18374 13653 1 47 . 1 1 50 50 GLY N N 50 110.491 110.491 110.362 0.129 18374 13654 1 47 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.530 1.651 18374 13655 1 47 . 1 1 50 50 GLY H H 50 8.459 8.459 7.734 0.725 18374 13656 1 47 . 1 1 51 51 LEU N N 51 121.407 121.407 121.761 -0.354 18374 13657 1 47 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.159 0.123 18374 13658 1 47 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.798 0.570 18374 13659 1 47 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.258 0.562 18374 13660 1 47 . 1 1 51 51 LEU H H 51 8.248 8.248 7.902 0.346 18374 13661 1 47 . 1 1 52 52 ARG N N 52 124.997 124.997 126.087 -1.090 18374 13662 1 47 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.794 1.053 18374 13663 1 47 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.831 -0.700 18374 13664 1 47 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.198 1.787 18374 13665 1 47 . 1 1 52 52 ARG H H 52 8.639 8.639 8.203 0.436 18374 13666 1 47 . 1 1 53 53 CYS N N 53 120.743 120.743 121.371 -0.628 18374 13667 1 47 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.267 -0.774 18374 13668 1 47 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.198 0.006 18374 13669 1 47 . 1 1 53 53 CYS CB C 53 30.779 30.779 28.961 1.818 18374 13670 1 47 . 1 1 53 53 CYS H H 53 8.933 8.933 8.546 0.387 18374 13671 1 47 . 1 1 54 54 ARG N N 54 121.407 121.407 120.301 1.106 18374 13672 1 47 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.018 -0.208 18374 13673 1 47 . 1 1 54 54 ARG CA C 54 59.387 59.387 60.335 -0.948 18374 13674 1 47 . 1 1 54 54 ARG CB C 54 28.883 28.883 30.236 -1.353 18374 13675 1 47 . 1 1 54 54 ARG H H 54 10.380 10.380 8.607 1.773 18374 13676 1 47 . 1 1 55 55 SER N N 55 117.300 117.300 114.277 3.023 18374 13677 1 47 . 1 1 55 55 SER HA H 55 4.258 4.258 4.315 -0.057 18374 13678 1 47 . 1 1 55 55 SER CA C 55 61.216 61.216 60.942 0.274 18374 13679 1 47 . 1 1 55 55 SER CB C 55 62.830 62.830 62.807 0.023 18374 13680 1 47 . 1 1 55 55 SER H H 55 8.228 8.228 8.179 0.049 18374 13681 1 47 . 1 1 56 56 CYS N N 56 122.602 122.602 119.330 3.272 18374 13682 1 47 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.365 -0.179 18374 13683 1 47 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.720 0.522 18374 13684 1 47 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.561 3.355 18374 13685 1 47 . 1 1 56 56 CYS H H 56 7.999 7.999 7.632 0.367 18374 13686 1 47 . 1 1 57 57 SER N N 57 115.430 115.430 114.077 1.353 18374 13687 1 47 . 1 1 57 57 SER HA H 57 4.266 4.266 4.486 -0.220 18374 13688 1 47 . 1 1 57 57 SER CA C 57 59.992 59.992 59.926 0.066 18374 13689 1 47 . 1 1 57 57 SER CB C 57 63.492 63.492 63.647 -0.155 18374 13690 1 47 . 1 1 57 57 SER H H 57 7.938 7.938 7.858 0.080 18374 13691 1 47 . 1 1 58 58 GLY N N 58 109.391 109.391 108.860 0.531 18374 13692 1 47 . 1 1 58 58 GLY CA C 58 45.426 45.426 43.797 1.629 18374 13693 1 47 . 1 1 58 58 GLY H H 58 8.013 8.013 7.366 0.647 18374 13694 1 47 . 1 1 59 59 ASP N N 59 120.345 120.345 119.814 0.531 18374 13695 1 47 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.583 0.008 18374 13696 1 47 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.220 1.072 18374 13697 1 47 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.975 0.108 18374 13698 1 47 . 1 1 59 59 ASP H H 59 8.130 8.130 8.308 -0.178 18374 13699 1 47 . 1 1 60 60 VAL N N 60 119.548 119.548 125.418 -5.870 18374 13700 1 47 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.216 -0.058 18374 13701 1 47 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.877 0.038 18374 13702 1 47 . 1 1 60 60 VAL CB C 60 32.515 32.515 29.900 2.615 18374 13703 1 47 . 1 1 60 60 VAL H H 60 8.072 8.072 8.593 -0.521 18374 13704 1 47 . 1 1 61 61 THR N N 61 121.407 121.407 120.494 0.913 18374 13705 1 47 . 1 1 61 61 THR HA H 61 4.509 4.509 4.669 -0.160 18374 13706 1 47 . 1 1 61 61 THR CA C 61 59.848 59.848 59.371 0.477 18374 13707 1 47 . 1 1 61 61 THR CB C 61 69.602 69.602 69.259 0.343 18374 13708 1 47 . 1 1 61 61 THR H H 61 8.335 8.335 7.732 0.603 18374 13709 1 47 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.449 -0.087 18374 13710 1 47 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.671 0.232 18374 13711 1 47 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.511 -0.562 18374 13712 1 47 . 1 1 63 63 ALA N N 63 125.923 125.923 127.002 -1.079 18374 13713 1 47 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.389 0.149 18374 13714 1 47 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.793 -0.525 18374 13715 1 47 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.896 -1.196 18374 13716 1 47 . 1 1 63 63 ALA H H 63 8.368 8.368 8.162 0.206 18374 13717 1 47 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.399 0.011 18374 13718 1 47 . 1 1 64 64 PRO CA C 64 62.897 62.897 63.175 -0.278 18374 13719 1 47 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.394 1.530 18374 13720 1 47 . 1 1 65 65 VAL N N 65 120.526 120.526 119.689 0.837 18374 13721 1 47 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.488 -0.415 18374 13722 1 47 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.256 1.070 18374 13723 1 47 . 1 1 65 65 VAL CB C 65 32.080 32.080 33.268 -1.188 18374 13724 1 47 . 1 1 65 65 VAL H H 65 8.270 8.270 7.969 0.301 18374 13725 1 48 . 1 1 2 2 ALA N N 2 123.688 123.688 121.637 2.051 18374 13726 1 48 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.200 0.098 18374 13727 1 48 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.597 0.113 18374 13728 1 48 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.281 0.954 18374 13729 1 48 . 1 1 2 2 ALA H H 2 8.653 8.653 7.987 0.666 18374 13730 1 48 . 1 1 3 3 MET N N 3 119.289 119.289 117.061 2.228 18374 13731 1 48 . 1 1 3 3 MET HA H 3 4.426 4.426 4.372 0.054 18374 13732 1 48 . 1 1 3 3 MET CA C 3 55.430 55.430 56.229 -0.799 18374 13733 1 48 . 1 1 3 3 MET CB C 3 32.532 32.532 32.262 0.270 18374 13734 1 48 . 1 1 3 3 MET H H 3 8.545 8.545 7.932 0.613 18374 13735 1 48 . 1 1 4 4 GLU N N 4 122.149 122.149 119.745 2.404 18374 13736 1 48 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.156 0.088 18374 13737 1 48 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.204 0.827 18374 13738 1 48 . 1 1 4 4 GLU CB C 4 30.006 30.006 27.896 2.110 18374 13739 1 48 . 1 1 4 4 GLU H H 4 8.440 8.440 8.597 -0.157 18374 13740 1 48 . 1 1 5 5 GLY N N 5 110.051 110.051 109.870 0.181 18374 13741 1 48 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.294 0.114 18374 13742 1 48 . 1 1 5 5 GLY H H 5 8.500 8.500 8.622 -0.122 18374 13743 1 48 . 1 1 6 6 GLN N N 6 119.509 119.509 120.720 -1.211 18374 13744 1 48 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.330 -0.044 18374 13745 1 48 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.529 0.471 18374 13746 1 48 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.681 -0.473 18374 13747 1 48 . 1 1 6 6 GLN H H 6 8.242 8.242 7.858 0.384 18374 13748 1 48 . 1 1 7 7 GLN N N 7 121.049 121.049 121.799 -0.750 18374 13749 1 48 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.232 0.029 18374 13750 1 48 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.908 0.196 18374 13751 1 48 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.044 1.160 18374 13752 1 48 . 1 1 7 7 GLN H H 7 8.534 8.534 8.300 0.234 18374 13753 1 48 . 1 1 8 8 ASN N N 8 119.289 119.289 120.571 -1.282 18374 13754 1 48 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.334 0.311 18374 13755 1 48 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.459 -0.352 18374 13756 1 48 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.146 0.373 18374 13757 1 48 . 1 1 8 8 ASN H H 8 8.486 8.486 8.608 -0.122 18374 13758 1 48 . 1 1 9 9 LEU N N 9 122.204 122.204 121.042 1.162 18374 13759 1 48 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.533 -0.242 18374 13760 1 48 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.450 0.266 18374 13761 1 48 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.965 -0.568 18374 13762 1 48 . 1 1 9 9 LEU H H 9 8.145 8.145 7.550 0.595 18374 13763 1 48 . 1 1 10 10 ALA N N 10 126.188 126.188 130.048 -3.860 18374 13764 1 48 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.692 -0.160 18374 13765 1 48 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.022 0.315 18374 13766 1 48 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.596 -0.803 18374 13767 1 48 . 1 1 10 10 ALA H H 10 8.324 8.324 8.269 0.055 18374 13768 1 48 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.429 -0.065 18374 13769 1 48 . 1 1 11 11 PRO CA C 11 63.908 63.908 62.792 1.116 18374 13770 1 48 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.187 1.682 18374 13771 1 48 . 1 1 12 12 GLY N N 12 108.951 108.951 107.122 1.829 18374 13772 1 48 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.320 -0.099 18374 13773 1 48 . 1 1 12 12 GLY H H 12 8.501 8.501 7.647 0.854 18374 13774 1 48 . 1 1 13 13 ALA N N 13 123.134 123.134 123.883 -0.749 18374 13775 1 48 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.393 -0.159 18374 13776 1 48 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.249 -0.140 18374 13777 1 48 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.057 1.468 18374 13778 1 48 . 1 1 13 13 ALA H H 13 7.957 7.957 8.466 -0.509 18374 13779 1 48 . 1 1 14 14 ARG N N 14 116.759 116.759 121.283 -4.524 18374 13780 1 48 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.549 -0.430 18374 13781 1 48 . 1 1 14 14 ARG CA C 14 53.810 53.810 54.328 -0.517 18374 13782 1 48 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.185 -1.732 18374 13783 1 48 . 1 1 14 14 ARG H H 14 7.990 7.990 7.825 0.165 18374 13784 1 48 . 1 1 15 15 CYS N N 15 123.688 123.688 124.263 -0.575 18374 13785 1 48 . 1 1 15 15 CYS HA H 15 4.017 4.017 5.008 -0.991 18374 13786 1 48 . 1 1 15 15 CYS CA C 15 59.110 59.110 57.555 1.555 18374 13787 1 48 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.043 4.014 18374 13788 1 48 . 1 1 15 15 CYS H H 15 7.646 7.646 8.602 -0.956 18374 13789 1 48 . 1 1 16 16 GLY N N 16 117.749 117.749 116.176 1.573 18374 13790 1 48 . 1 1 16 16 GLY CA C 16 46.785 46.785 47.056 -0.271 18374 13791 1 48 . 1 1 16 16 GLY H H 16 8.916 8.916 9.141 -0.225 18374 13792 1 48 . 1 1 17 17 VAL N N 17 122.602 122.602 121.413 1.189 18374 13793 1 48 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.861 0.153 18374 13794 1 48 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.599 0.432 18374 13795 1 48 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.930 0.910 18374 13796 1 48 . 1 1 17 17 VAL H H 17 8.856 8.856 7.989 0.867 18374 13797 1 48 . 1 1 18 18 CYS N N 18 115.430 115.430 113.429 2.001 18374 13798 1 48 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.976 -0.050 18374 13799 1 48 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.498 -0.319 18374 13800 1 48 . 1 1 18 18 CYS CB C 18 31.611 31.611 31.425 0.186 18374 13801 1 48 . 1 1 18 18 CYS H H 18 7.758 7.758 8.046 -0.288 18374 13802 1 48 . 1 1 19 19 GLY N N 19 113.040 113.040 110.710 2.330 18374 13803 1 48 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.865 1.492 18374 13804 1 48 . 1 1 19 19 GLY H H 19 8.029 8.029 8.659 -0.630 18374 13805 1 48 . 1 1 20 20 ASP N N 20 123.399 123.399 122.399 1.000 18374 13806 1 48 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.812 0.195 18374 13807 1 48 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.842 -1.328 18374 13808 1 48 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.404 2.138 18374 13809 1 48 . 1 1 20 20 ASP H H 20 8.722 8.722 7.827 0.895 18374 13810 1 48 . 1 1 21 21 GLY N N 21 111.371 111.371 108.527 2.844 18374 13811 1 48 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.646 0.461 18374 13812 1 48 . 1 1 21 21 GLY H H 21 8.667 8.667 8.606 0.061 18374 13813 1 48 . 1 1 22 22 THR N N 22 118.220 118.220 117.980 0.240 18374 13814 1 48 . 1 1 22 22 THR HA H 22 3.979 3.979 4.267 -0.288 18374 13815 1 48 . 1 1 22 22 THR CA C 22 64.367 64.367 62.524 1.843 18374 13816 1 48 . 1 1 22 22 THR CB C 22 67.783 67.783 68.941 -1.158 18374 13817 1 48 . 1 1 22 22 THR H H 22 8.784 8.784 7.725 1.059 18374 13818 1 48 . 1 1 23 23 ASP N N 23 127.251 127.251 125.251 2.000 18374 13819 1 48 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.351 -0.050 18374 13820 1 48 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.199 0.228 18374 13821 1 48 . 1 1 23 23 ASP CB C 23 39.039 39.039 39.690 -0.650 18374 13822 1 48 . 1 1 23 23 ASP H H 23 9.376 9.376 8.919 0.457 18374 13823 1 48 . 1 1 24 24 VAL N N 24 111.371 111.371 112.240 -0.869 18374 13824 1 48 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.332 -0.772 18374 13825 1 48 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.432 1.284 18374 13826 1 48 . 1 1 24 24 VAL CB C 24 32.292 32.292 32.604 -0.312 18374 13827 1 48 . 1 1 24 24 VAL H H 24 7.402 7.402 8.114 -0.712 18374 13828 1 48 . 1 1 25 25 LEU N N 25 123.908 123.908 125.368 -1.460 18374 13829 1 48 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.469 -0.130 18374 13830 1 48 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.999 -1.477 18374 13831 1 48 . 1 1 25 25 LEU CB C 25 42.442 42.442 42.930 -0.488 18374 13832 1 48 . 1 1 25 25 LEU H H 25 8.328 8.328 8.733 -0.405 18374 13833 1 48 . 1 1 26 26 ARG N N 26 116.626 116.626 119.503 -2.877 18374 13834 1 48 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.230 -0.129 18374 13835 1 48 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.447 -0.792 18374 13836 1 48 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.580 0.088 18374 13837 1 48 . 1 1 26 26 ARG H H 26 7.877 7.877 8.046 -0.169 18374 13838 1 48 . 1 1 27 27 CYS N N 27 126.328 126.328 123.207 3.121 18374 13839 1 48 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.953 -0.638 18374 13840 1 48 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.818 1.580 18374 13841 1 48 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.262 2.405 18374 13842 1 48 . 1 1 27 27 CYS H H 27 9.182 9.182 8.552 0.630 18374 13843 1 48 . 1 1 28 28 THR N N 28 122.470 122.470 121.397 1.073 18374 13844 1 48 . 1 1 28 28 THR HA H 28 4.166 4.166 4.348 -0.182 18374 13845 1 48 . 1 1 28 28 THR CA C 28 64.686 64.686 63.412 1.274 18374 13846 1 48 . 1 1 28 28 THR CB C 28 69.846 69.846 69.018 0.828 18374 13847 1 48 . 1 1 28 28 THR H H 28 8.956 8.956 8.895 0.061 18374 13848 1 48 . 1 1 29 29 HIS N N 29 123.908 123.908 119.008 4.900 18374 13849 1 48 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.680 0.229 18374 13850 1 48 . 1 1 29 29 HIS CA C 29 58.104 58.104 57.029 1.075 18374 13851 1 48 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.534 -0.989 18374 13852 1 48 . 1 1 29 29 HIS H H 29 9.464 9.464 8.225 1.239 18374 13853 1 48 . 1 1 30 30 CYS N N 30 119.946 119.946 115.383 4.563 18374 13854 1 48 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.772 0.039 18374 13855 1 48 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.634 2.456 18374 13856 1 48 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.656 2.242 18374 13857 1 48 . 1 1 30 30 CYS H H 30 8.710 8.710 7.784 0.926 18374 13858 1 48 . 1 1 31 31 ALA N N 31 120.477 120.477 124.774 -4.297 18374 13859 1 48 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.520 -0.236 18374 13860 1 48 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.913 2.577 18374 13861 1 48 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.922 -1.504 18374 13862 1 48 . 1 1 31 31 ALA H H 31 7.626 7.626 8.353 -0.727 18374 13863 1 48 . 1 1 32 32 ALA N N 32 125.524 125.524 125.790 -0.266 18374 13864 1 48 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.547 -0.301 18374 13865 1 48 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.725 1.115 18374 13866 1 48 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.547 -1.213 18374 13867 1 48 . 1 1 32 32 ALA H H 32 9.152 9.152 8.379 0.773 18374 13868 1 48 . 1 1 33 33 ALA N N 33 123.257 123.257 125.544 -2.287 18374 13869 1 48 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.480 -0.070 18374 13870 1 48 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.392 -0.586 18374 13871 1 48 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.029 -0.401 18374 13872 1 48 . 1 1 33 33 ALA H H 33 8.490 8.490 8.669 -0.179 18374 13873 1 48 . 1 1 34 34 PHE N N 34 118.220 118.220 120.272 -2.052 18374 13874 1 48 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.873 0.201 18374 13875 1 48 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.752 -0.990 18374 13876 1 48 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.724 -1.502 18374 13877 1 48 . 1 1 34 34 PHE H H 34 8.948 8.948 8.465 0.483 18374 13878 1 48 . 1 1 35 35 HIS N N 35 116.759 116.759 120.355 -3.596 18374 13879 1 48 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.921 -0.035 18374 13880 1 48 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.616 1.522 18374 13881 1 48 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.192 -0.169 18374 13882 1 48 . 1 1 35 35 HIS H H 35 7.932 7.932 8.113 -0.181 18374 13883 1 48 . 1 1 36 36 TRP N N 36 127.649 127.649 126.930 0.719 18374 13884 1 48 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.565 -0.127 18374 13885 1 48 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.209 0.165 18374 13886 1 48 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.992 -0.668 18374 13887 1 48 . 1 1 36 36 TRP H H 36 9.421 9.421 9.035 0.386 18374 13888 1 48 . 1 1 37 37 ARG N N 37 113.040 113.040 116.082 -3.042 18374 13889 1 48 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.282 0.121 18374 13890 1 48 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.767 -1.294 18374 13891 1 48 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.556 -0.389 18374 13892 1 48 . 1 1 37 37 ARG H H 37 9.075 9.075 8.537 0.538 18374 13893 1 48 . 1 1 38 38 CYS N N 38 116.493 116.493 114.887 1.606 18374 13894 1 48 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.535 -0.317 18374 13895 1 48 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.066 2.393 18374 13896 1 48 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.801 2.875 18374 13897 1 48 . 1 1 38 38 CYS H H 38 7.169 7.169 7.797 -0.628 18374 13898 1 48 . 1 1 39 39 HIS N N 39 118.220 118.220 116.036 2.184 18374 13899 1 48 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.329 -0.106 18374 13900 1 48 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.342 1.134 18374 13901 1 48 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.337 4.003 18374 13902 1 48 . 1 1 39 39 HIS H H 39 7.562 7.562 7.610 -0.048 18374 13903 1 48 . 1 1 40 40 PHE N N 40 117.157 117.157 117.508 -0.351 18374 13904 1 48 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.708 0.075 18374 13905 1 48 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.839 -2.179 18374 13906 1 48 . 1 1 40 40 PHE CB C 40 38.807 38.807 40.131 -1.324 18374 13907 1 48 . 1 1 40 40 PHE H H 40 8.282 8.282 8.185 0.097 18374 13908 1 48 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.503 -0.016 18374 13909 1 48 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.767 0.452 18374 13910 1 48 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.100 0.115 18374 13911 1 48 . 1 1 42 42 ALA N N 42 123.001 123.001 126.934 -3.933 18374 13912 1 48 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.289 0.069 18374 13913 1 48 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.014 -1.001 18374 13914 1 48 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.948 -0.307 18374 13915 1 48 . 1 1 42 42 ALA H H 42 8.635 8.635 8.659 -0.024 18374 13916 1 48 . 1 1 43 43 GLY N N 43 108.291 108.291 104.953 3.338 18374 13917 1 48 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.523 -0.057 18374 13918 1 48 . 1 1 43 43 GLY H H 43 8.529 8.529 8.288 0.241 18374 13919 1 48 . 1 1 44 44 THR N N 44 113.961 113.961 119.609 -5.648 18374 13920 1 48 . 1 1 44 44 THR HA H 44 4.424 4.424 4.494 -0.070 18374 13921 1 48 . 1 1 44 44 THR CA C 44 62.074 62.074 62.962 -0.888 18374 13922 1 48 . 1 1 44 44 THR CB C 44 70.259 70.259 69.740 0.519 18374 13923 1 48 . 1 1 44 44 THR H H 44 7.971 7.971 7.953 0.018 18374 13924 1 48 . 1 1 45 45 SER N N 45 120.467 120.467 122.456 -1.989 18374 13925 1 48 . 1 1 45 45 SER HA H 45 4.280 4.280 4.616 -0.336 18374 13926 1 48 . 1 1 45 45 SER CA C 45 58.274 58.274 57.692 0.582 18374 13927 1 48 . 1 1 45 45 SER CB C 45 63.906 63.906 63.404 0.502 18374 13928 1 48 . 1 1 45 45 SER H H 45 8.644 8.644 8.641 0.003 18374 13929 1 48 . 1 1 46 46 ARG N N 46 124.196 124.196 126.712 -2.516 18374 13930 1 48 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.140 0.780 18374 13931 1 48 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.993 -0.841 18374 13932 1 48 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.101 1.801 18374 13933 1 48 . 1 1 46 46 ARG H H 46 8.197 8.197 8.046 0.151 18374 13934 1 48 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.377 -0.079 18374 13935 1 48 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.309 0.509 18374 13936 1 48 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.397 -0.211 18374 13937 1 48 . 1 1 48 48 GLY N N 48 108.071 108.071 109.838 -1.767 18374 13938 1 48 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.643 0.036 18374 13939 1 48 . 1 1 48 48 GLY H H 48 8.492 8.492 8.443 0.049 18374 13940 1 48 . 1 1 49 49 THR N N 49 111.151 111.151 111.501 -0.350 18374 13941 1 48 . 1 1 49 49 THR HA H 49 4.377 4.377 4.306 0.071 18374 13942 1 48 . 1 1 49 49 THR CA C 49 60.690 60.690 61.460 -0.770 18374 13943 1 48 . 1 1 49 49 THR CB C 49 70.332 70.332 68.938 1.394 18374 13944 1 48 . 1 1 49 49 THR H H 49 7.669 7.669 7.563 0.106 18374 13945 1 48 . 1 1 50 50 GLY N N 50 110.491 110.491 109.176 1.315 18374 13946 1 48 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.533 1.648 18374 13947 1 48 . 1 1 50 50 GLY H H 50 8.459 8.459 7.209 1.250 18374 13948 1 48 . 1 1 51 51 LEU N N 51 121.407 121.407 123.445 -2.038 18374 13949 1 48 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.362 -0.080 18374 13950 1 48 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.972 1.395 18374 13951 1 48 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.584 0.235 18374 13952 1 48 . 1 1 51 51 LEU H H 51 8.248 8.248 8.450 -0.202 18374 13953 1 48 . 1 1 52 52 ARG N N 52 124.997 124.997 125.405 -0.408 18374 13954 1 48 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.826 1.021 18374 13955 1 48 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.785 -0.654 18374 13956 1 48 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.479 2.506 18374 13957 1 48 . 1 1 52 52 ARG H H 52 8.639 8.639 8.424 0.215 18374 13958 1 48 . 1 1 53 53 CYS N N 53 120.743 120.743 122.410 -1.667 18374 13959 1 48 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.317 -0.824 18374 13960 1 48 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.781 0.423 18374 13961 1 48 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.148 0.631 18374 13962 1 48 . 1 1 53 53 CYS H H 53 8.933 8.933 8.537 0.396 18374 13963 1 48 . 1 1 54 54 ARG N N 54 121.407 121.407 119.918 1.489 18374 13964 1 48 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.174 -0.364 18374 13965 1 48 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.697 -0.309 18374 13966 1 48 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.725 -0.842 18374 13967 1 48 . 1 1 54 54 ARG H H 54 10.380 10.380 8.711 1.669 18374 13968 1 48 . 1 1 55 55 SER N N 55 117.300 117.300 114.843 2.457 18374 13969 1 48 . 1 1 55 55 SER HA H 55 4.258 4.258 4.341 -0.083 18374 13970 1 48 . 1 1 55 55 SER CA C 55 61.216 61.216 60.882 0.334 18374 13971 1 48 . 1 1 55 55 SER CB C 55 62.830 62.830 63.148 -0.318 18374 13972 1 48 . 1 1 55 55 SER H H 55 8.228 8.228 8.110 0.118 18374 13973 1 48 . 1 1 56 56 CYS N N 56 122.602 122.602 119.820 2.782 18374 13974 1 48 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.286 -0.100 18374 13975 1 48 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.834 0.408 18374 13976 1 48 . 1 1 56 56 CYS CB C 56 29.916 29.916 25.881 4.035 18374 13977 1 48 . 1 1 56 56 CYS H H 56 7.999 7.999 7.802 0.197 18374 13978 1 48 . 1 1 57 57 SER N N 57 115.430 115.430 113.663 1.767 18374 13979 1 48 . 1 1 57 57 SER HA H 57 4.266 4.266 4.397 -0.131 18374 13980 1 48 . 1 1 57 57 SER CA C 57 59.992 59.992 59.479 0.513 18374 13981 1 48 . 1 1 57 57 SER CB C 57 63.492 63.492 63.610 -0.118 18374 13982 1 48 . 1 1 57 57 SER H H 57 7.938 7.938 8.102 -0.164 18374 13983 1 48 . 1 1 58 58 GLY N N 58 109.391 109.391 110.567 -1.176 18374 13984 1 48 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.974 0.452 18374 13985 1 48 . 1 1 58 58 GLY H H 58 8.013 8.013 7.426 0.587 18374 13986 1 48 . 1 1 59 59 ASP N N 59 120.345 120.345 122.882 -2.537 18374 13987 1 48 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.718 -0.127 18374 13988 1 48 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.312 0.980 18374 13989 1 48 . 1 1 59 59 ASP CB C 59 41.083 41.083 43.149 -2.066 18374 13990 1 48 . 1 1 59 59 ASP H H 59 8.130 8.130 8.323 -0.193 18374 13991 1 48 . 1 1 60 60 VAL N N 60 119.548 119.548 117.665 1.883 18374 13992 1 48 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.403 -0.245 18374 13993 1 48 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.586 0.329 18374 13994 1 48 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.227 0.288 18374 13995 1 48 . 1 1 60 60 VAL H H 60 8.072 8.072 8.215 -0.143 18374 13996 1 48 . 1 1 61 61 THR N N 61 121.407 121.407 120.400 1.007 18374 13997 1 48 . 1 1 61 61 THR HA H 61 4.509 4.509 4.663 -0.154 18374 13998 1 48 . 1 1 61 61 THR CA C 61 59.848 59.848 59.354 0.494 18374 13999 1 48 . 1 1 61 61 THR CB C 61 69.602 69.602 69.183 0.419 18374 14000 1 48 . 1 1 61 61 THR H H 61 8.335 8.335 8.283 0.052 18374 14001 1 48 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.398 -0.036 18374 14002 1 48 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.639 0.264 18374 14003 1 48 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.351 -0.402 18374 14004 1 48 . 1 1 63 63 ALA N N 63 125.923 125.923 126.975 -1.052 18374 14005 1 48 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.469 0.069 18374 14006 1 48 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.761 -0.493 18374 14007 1 48 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.175 -1.476 18374 14008 1 48 . 1 1 63 63 ALA H H 63 8.368 8.368 8.296 0.072 18374 14009 1 48 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.466 -0.056 18374 14010 1 48 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.973 -0.076 18374 14011 1 48 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.727 2.196 18374 14012 1 48 . 1 1 65 65 VAL N N 65 120.526 120.526 115.738 4.788 18374 14013 1 48 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.480 -0.407 18374 14014 1 48 . 1 1 65 65 VAL CA C 65 62.326 62.326 60.630 1.696 18374 14015 1 48 . 1 1 65 65 VAL CB C 65 32.080 32.080 34.086 -2.006 18374 14016 1 48 . 1 1 65 65 VAL H H 65 8.270 8.270 8.028 0.242 18374 14017 1 49 . 1 1 2 2 ALA N N 2 123.688 123.688 126.543 -2.855 18374 14018 1 49 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.805 -0.507 18374 14019 1 49 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.398 0.312 18374 14020 1 49 . 1 1 2 2 ALA CB C 2 19.235 19.235 20.244 -1.009 18374 14021 1 49 . 1 1 2 2 ALA H H 2 8.653 8.653 8.295 0.358 18374 14022 1 49 . 1 1 3 3 MET N N 3 119.289 119.289 120.613 -1.324 18374 14023 1 49 . 1 1 3 3 MET HA H 3 4.426 4.426 4.528 -0.102 18374 14024 1 49 . 1 1 3 3 MET CA C 3 55.430 55.430 56.519 -1.089 18374 14025 1 49 . 1 1 3 3 MET CB C 3 32.532 32.532 33.035 -0.502 18374 14026 1 49 . 1 1 3 3 MET H H 3 8.545 8.545 8.540 0.005 18374 14027 1 49 . 1 1 4 4 GLU N N 4 122.149 122.149 118.618 3.531 18374 14028 1 49 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.507 -0.263 18374 14029 1 49 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.539 0.492 18374 14030 1 49 . 1 1 4 4 GLU CB C 4 30.006 30.006 30.031 -0.025 18374 14031 1 49 . 1 1 4 4 GLU H H 4 8.440 8.440 8.392 0.048 18374 14032 1 49 . 1 1 5 5 GLY N N 5 110.051 110.051 110.648 -0.597 18374 14033 1 49 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.169 0.239 18374 14034 1 49 . 1 1 5 5 GLY H H 5 8.500 8.500 8.377 0.123 18374 14035 1 49 . 1 1 6 6 GLN N N 6 119.509 119.509 121.525 -2.016 18374 14036 1 49 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.414 -0.128 18374 14037 1 49 . 1 1 6 6 GLN CA C 6 56.000 56.000 54.725 1.275 18374 14038 1 49 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.312 -0.104 18374 14039 1 49 . 1 1 6 6 GLN H H 6 8.242 8.242 7.811 0.431 18374 14040 1 49 . 1 1 7 7 GLN N N 7 121.049 121.049 116.040 5.009 18374 14041 1 49 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.071 0.190 18374 14042 1 49 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.404 -0.299 18374 14043 1 49 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.395 1.809 18374 14044 1 49 . 1 1 7 7 GLN H H 7 8.534 8.534 8.414 0.120 18374 14045 1 49 . 1 1 8 8 ASN N N 8 119.289 119.289 117.713 1.576 18374 14046 1 49 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.882 -0.237 18374 14047 1 49 . 1 1 8 8 ASN CA C 8 53.107 53.107 52.745 0.362 18374 14048 1 49 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.161 -0.642 18374 14049 1 49 . 1 1 8 8 ASN H H 8 8.486 8.486 8.156 0.330 18374 14050 1 49 . 1 1 9 9 LEU N N 9 122.204 122.204 128.215 -6.011 18374 14051 1 49 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.324 -0.033 18374 14052 1 49 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.068 0.648 18374 14053 1 49 . 1 1 9 9 LEU CB C 9 42.397 42.397 40.608 1.789 18374 14054 1 49 . 1 1 9 9 LEU H H 9 8.145 8.145 8.599 -0.454 18374 14055 1 49 . 1 1 10 10 ALA N N 10 126.188 126.188 125.850 0.338 18374 14056 1 49 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.484 0.048 18374 14057 1 49 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.745 -0.408 18374 14058 1 49 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.789 -0.996 18374 14059 1 49 . 1 1 10 10 ALA H H 10 8.324 8.324 7.775 0.549 18374 14060 1 49 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.411 -0.047 18374 14061 1 49 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.783 0.125 18374 14062 1 49 . 1 1 11 11 PRO CB C 11 31.869 31.869 32.398 -0.529 18374 14063 1 49 . 1 1 12 12 GLY N N 12 108.951 108.951 107.922 1.029 18374 14064 1 49 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.436 -0.215 18374 14065 1 49 . 1 1 12 12 GLY H H 12 8.501 8.501 8.479 0.022 18374 14066 1 49 . 1 1 13 13 ALA N N 13 123.134 123.134 127.083 -3.949 18374 14067 1 49 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.295 -0.061 18374 14068 1 49 . 1 1 13 13 ALA CA C 13 52.109 52.109 52.126 -0.017 18374 14069 1 49 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.640 1.885 18374 14070 1 49 . 1 1 13 13 ALA H H 13 7.957 7.957 7.782 0.175 18374 14071 1 49 . 1 1 14 14 ARG N N 14 116.759 116.759 121.993 -5.234 18374 14072 1 49 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.556 -0.437 18374 14073 1 49 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.054 -1.244 18374 14074 1 49 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.317 -1.864 18374 14075 1 49 . 1 1 14 14 ARG H H 14 7.990 7.990 7.900 0.090 18374 14076 1 49 . 1 1 15 15 CYS N N 15 123.688 123.688 124.933 -1.245 18374 14077 1 49 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.685 -0.668 18374 14078 1 49 . 1 1 15 15 CYS CA C 15 59.110 59.110 59.249 -0.139 18374 14079 1 49 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.425 4.632 18374 14080 1 49 . 1 1 15 15 CYS H H 15 7.646 7.646 8.751 -1.105 18374 14081 1 49 . 1 1 16 16 GLY N N 16 117.749 117.749 116.043 1.706 18374 14082 1 49 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.654 0.131 18374 14083 1 49 . 1 1 16 16 GLY H H 16 8.916 8.916 8.974 -0.058 18374 14084 1 49 . 1 1 17 17 VAL N N 17 122.602 122.602 121.744 0.858 18374 14085 1 49 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.856 0.158 18374 14086 1 49 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.980 0.051 18374 14087 1 49 . 1 1 17 17 VAL CB C 17 32.840 32.840 31.970 0.870 18374 14088 1 49 . 1 1 17 17 VAL H H 17 8.856 8.856 8.081 0.775 18374 14089 1 49 . 1 1 18 18 CYS N N 18 115.430 115.430 114.348 1.082 18374 14090 1 49 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.922 0.004 18374 14091 1 49 . 1 1 18 18 CYS CA C 18 58.179 58.179 58.572 -0.393 18374 14092 1 49 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.799 0.812 18374 14093 1 49 . 1 1 18 18 CYS H H 18 7.758 7.758 8.280 -0.522 18374 14094 1 49 . 1 1 19 19 GLY N N 19 113.040 113.040 111.077 1.963 18374 14095 1 49 . 1 1 19 19 GLY CA C 19 46.357 46.357 44.770 1.587 18374 14096 1 49 . 1 1 19 19 GLY H H 19 8.029 8.029 8.434 -0.405 18374 14097 1 49 . 1 1 20 20 ASP N N 20 123.399 123.399 121.706 1.693 18374 14098 1 49 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.886 0.121 18374 14099 1 49 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.416 -0.902 18374 14100 1 49 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.374 2.168 18374 14101 1 49 . 1 1 20 20 ASP H H 20 8.722 8.722 7.786 0.936 18374 14102 1 49 . 1 1 21 21 GLY N N 21 111.371 111.371 108.831 2.540 18374 14103 1 49 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.133 -0.026 18374 14104 1 49 . 1 1 21 21 GLY H H 21 8.667 8.667 8.608 0.059 18374 14105 1 49 . 1 1 22 22 THR N N 22 118.220 118.220 116.231 1.989 18374 14106 1 49 . 1 1 22 22 THR HA H 22 3.979 3.979 4.204 -0.225 18374 14107 1 49 . 1 1 22 22 THR CA C 22 64.367 64.367 63.874 0.493 18374 14108 1 49 . 1 1 22 22 THR CB C 22 67.783 67.783 69.207 -1.423 18374 14109 1 49 . 1 1 22 22 THR H H 22 8.784 8.784 7.598 1.186 18374 14110 1 49 . 1 1 23 23 ASP N N 23 127.251 127.251 123.962 3.289 18374 14111 1 49 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.280 0.021 18374 14112 1 49 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.092 0.335 18374 14113 1 49 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.484 -1.445 18374 14114 1 49 . 1 1 23 23 ASP H H 23 9.376 9.376 8.852 0.524 18374 14115 1 49 . 1 1 24 24 VAL N N 24 111.371 111.371 116.697 -5.326 18374 14116 1 49 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.316 -0.756 18374 14117 1 49 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.996 0.720 18374 14118 1 49 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.079 -0.787 18374 14119 1 49 . 1 1 24 24 VAL H H 24 7.402 7.402 7.815 -0.413 18374 14120 1 49 . 1 1 25 25 LEU N N 25 123.908 123.908 127.290 -3.382 18374 14121 1 49 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.542 -0.203 18374 14122 1 49 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.678 -1.156 18374 14123 1 49 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.528 -1.086 18374 14124 1 49 . 1 1 25 25 LEU H H 25 8.328 8.328 8.441 -0.113 18374 14125 1 49 . 1 1 26 26 ARG N N 26 116.626 116.626 120.460 -3.834 18374 14126 1 49 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.267 -0.166 18374 14127 1 49 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.682 -2.027 18374 14128 1 49 . 1 1 26 26 ARG CB C 26 31.668 31.668 32.186 -0.518 18374 14129 1 49 . 1 1 26 26 ARG H H 26 7.877 7.877 8.085 -0.207 18374 14130 1 49 . 1 1 27 27 CYS N N 27 126.328 126.328 124.229 2.099 18374 14131 1 49 . 1 1 27 27 CYS HA H 27 4.315 4.315 5.198 -0.883 18374 14132 1 49 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.477 1.921 18374 14133 1 49 . 1 1 27 27 CYS CB C 27 30.667 30.667 29.228 1.439 18374 14134 1 49 . 1 1 27 27 CYS H H 27 9.182 9.182 8.365 0.817 18374 14135 1 49 . 1 1 28 28 THR N N 28 122.470 122.470 119.923 2.547 18374 14136 1 49 . 1 1 28 28 THR HA H 28 4.166 4.166 4.346 -0.180 18374 14137 1 49 . 1 1 28 28 THR CA C 28 64.686 64.686 64.769 -0.083 18374 14138 1 49 . 1 1 28 28 THR CB C 28 69.846 69.846 69.271 0.575 18374 14139 1 49 . 1 1 28 28 THR H H 28 8.956 8.956 8.831 0.125 18374 14140 1 49 . 1 1 29 29 HIS N N 29 123.908 123.908 119.166 4.742 18374 14141 1 49 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.620 0.289 18374 14142 1 49 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.910 1.194 18374 14143 1 49 . 1 1 29 29 HIS CB C 29 30.545 30.545 30.779 -0.234 18374 14144 1 49 . 1 1 29 29 HIS H H 29 9.464 9.464 8.789 0.675 18374 14145 1 49 . 1 1 30 30 CYS N N 30 119.946 119.946 114.714 5.232 18374 14146 1 49 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.886 -0.075 18374 14147 1 49 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.012 3.078 18374 14148 1 49 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.264 1.634 18374 14149 1 49 . 1 1 30 30 CYS H H 30 8.710 8.710 7.709 1.001 18374 14150 1 49 . 1 1 31 31 ALA N N 31 120.477 120.477 124.215 -3.738 18374 14151 1 49 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.585 -0.301 18374 14152 1 49 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.762 2.728 18374 14153 1 49 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.082 -1.664 18374 14154 1 49 . 1 1 31 31 ALA H H 31 7.626 7.626 8.512 -0.886 18374 14155 1 49 . 1 1 32 32 ALA N N 32 125.524 125.524 126.094 -0.570 18374 14156 1 49 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.566 -0.320 18374 14157 1 49 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.367 1.473 18374 14158 1 49 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.751 -1.417 18374 14159 1 49 . 1 1 32 32 ALA H H 32 9.152 9.152 8.446 0.706 18374 14160 1 49 . 1 1 33 33 ALA N N 33 123.257 123.257 126.542 -3.285 18374 14161 1 49 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.589 -0.179 18374 14162 1 49 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.320 -0.514 18374 14163 1 49 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.692 -0.064 18374 14164 1 49 . 1 1 33 33 ALA H H 33 8.490 8.490 8.555 -0.065 18374 14165 1 49 . 1 1 34 34 PHE N N 34 118.220 118.220 120.885 -2.665 18374 14166 1 49 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.780 0.294 18374 14167 1 49 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.332 -0.570 18374 14168 1 49 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.803 -1.581 18374 14169 1 49 . 1 1 34 34 PHE H H 34 8.948 8.948 8.593 0.355 18374 14170 1 49 . 1 1 35 35 HIS N N 35 116.759 116.759 120.313 -3.554 18374 14171 1 49 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.875 0.011 18374 14172 1 49 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.494 1.644 18374 14173 1 49 . 1 1 35 35 HIS CB C 35 32.023 32.023 32.206 -0.183 18374 14174 1 49 . 1 1 35 35 HIS H H 35 7.932 7.932 7.980 -0.048 18374 14175 1 49 . 1 1 36 36 TRP N N 36 127.649 127.649 125.065 2.584 18374 14176 1 49 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.569 -0.131 18374 14177 1 49 . 1 1 36 36 TRP CA C 36 62.373 62.373 61.852 0.521 18374 14178 1 49 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.823 -0.499 18374 14179 1 49 . 1 1 36 36 TRP H H 36 9.421 9.421 9.088 0.333 18374 14180 1 49 . 1 1 37 37 ARG N N 37 113.040 113.040 118.111 -5.071 18374 14181 1 49 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.352 0.052 18374 14182 1 49 . 1 1 37 37 ARG CA C 37 57.473 57.473 59.178 -1.705 18374 14183 1 49 . 1 1 37 37 ARG CB C 37 29.167 29.167 30.036 -0.869 18374 14184 1 49 . 1 1 37 37 ARG H H 37 9.075 9.075 8.368 0.707 18374 14185 1 49 . 1 1 38 38 CYS N N 38 116.493 116.493 114.123 2.370 18374 14186 1 49 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.440 -0.222 18374 14187 1 49 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.755 1.704 18374 14188 1 49 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.141 3.535 18374 14189 1 49 . 1 1 38 38 CYS H H 38 7.169 7.169 8.558 -1.389 18374 14190 1 49 . 1 1 39 39 HIS N N 39 118.220 118.220 115.765 2.455 18374 14191 1 49 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.456 -0.233 18374 14192 1 49 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.072 1.404 18374 14193 1 49 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.537 3.803 18374 14194 1 49 . 1 1 39 39 HIS H H 39 7.562 7.562 7.594 -0.032 18374 14195 1 49 . 1 1 40 40 PHE N N 40 117.157 117.157 118.567 -1.410 18374 14196 1 49 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.683 0.100 18374 14197 1 49 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.815 -3.156 18374 14198 1 49 . 1 1 40 40 PHE CB C 40 38.807 38.807 38.374 0.433 18374 14199 1 49 . 1 1 40 40 PHE H H 40 8.282 8.282 8.524 -0.242 18374 14200 1 49 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.418 0.069 18374 14201 1 49 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.992 0.227 18374 14202 1 49 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.232 -0.017 18374 14203 1 49 . 1 1 42 42 ALA N N 42 123.001 123.001 123.044 -0.043 18374 14204 1 49 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.172 0.186 18374 14205 1 49 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.024 -1.011 18374 14206 1 49 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.656 -0.015 18374 14207 1 49 . 1 1 42 42 ALA H H 42 8.635 8.635 8.550 0.085 18374 14208 1 49 . 1 1 43 43 GLY N N 43 108.291 108.291 104.505 3.786 18374 14209 1 49 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.046 0.420 18374 14210 1 49 . 1 1 43 43 GLY H H 43 8.529 8.529 8.120 0.409 18374 14211 1 49 . 1 1 44 44 THR N N 44 113.961 113.961 119.734 -5.773 18374 14212 1 49 . 1 1 44 44 THR HA H 44 4.424 4.424 4.552 -0.128 18374 14213 1 49 . 1 1 44 44 THR CA C 44 62.074 62.074 62.688 -0.614 18374 14214 1 49 . 1 1 44 44 THR CB C 44 70.259 70.259 69.565 0.694 18374 14215 1 49 . 1 1 44 44 THR H H 44 7.971 7.971 7.978 -0.007 18374 14216 1 49 . 1 1 45 45 SER N N 45 120.467 120.467 121.544 -1.077 18374 14217 1 49 . 1 1 45 45 SER HA H 45 4.280 4.280 4.702 -0.422 18374 14218 1 49 . 1 1 45 45 SER CA C 45 58.274 58.274 58.304 -0.030 18374 14219 1 49 . 1 1 45 45 SER CB C 45 63.906 63.906 64.266 -0.360 18374 14220 1 49 . 1 1 45 45 SER H H 45 8.644 8.644 8.656 -0.012 18374 14221 1 49 . 1 1 46 46 ARG N N 46 124.196 124.196 125.790 -1.594 18374 14222 1 49 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.380 0.540 18374 14223 1 49 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.791 -0.639 18374 14224 1 49 . 1 1 46 46 ARG CB C 46 29.902 29.902 28.427 1.475 18374 14225 1 49 . 1 1 46 46 ARG H H 46 8.197 8.197 8.267 -0.070 18374 14226 1 49 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.407 -0.109 18374 14227 1 49 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.541 0.277 18374 14228 1 49 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.246 -0.060 18374 14229 1 49 . 1 1 48 48 GLY N N 48 108.071 108.071 108.425 -0.354 18374 14230 1 49 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.221 0.458 18374 14231 1 49 . 1 1 48 48 GLY H H 48 8.492 8.492 8.328 0.164 18374 14232 1 49 . 1 1 49 49 THR N N 49 111.151 111.151 114.725 -3.574 18374 14233 1 49 . 1 1 49 49 THR HA H 49 4.377 4.377 4.487 -0.110 18374 14234 1 49 . 1 1 49 49 THR CA C 49 60.690 60.690 61.605 -0.915 18374 14235 1 49 . 1 1 49 49 THR CB C 49 70.332 70.332 69.039 1.293 18374 14236 1 49 . 1 1 49 49 THR H H 49 7.669 7.669 7.803 -0.134 18374 14237 1 49 . 1 1 50 50 GLY N N 50 110.491 110.491 109.254 1.237 18374 14238 1 49 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.404 1.777 18374 14239 1 49 . 1 1 50 50 GLY H H 50 8.459 8.459 7.334 1.125 18374 14240 1 49 . 1 1 51 51 LEU N N 51 121.407 121.407 124.029 -2.622 18374 14241 1 49 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.587 -0.305 18374 14242 1 49 . 1 1 51 51 LEU CA C 51 56.368 56.368 54.306 2.062 18374 14243 1 49 . 1 1 51 51 LEU CB C 51 42.819 42.819 43.753 -0.934 18374 14244 1 49 . 1 1 51 51 LEU H H 51 8.248 8.248 8.550 -0.302 18374 14245 1 49 . 1 1 52 52 ARG N N 52 124.997 124.997 124.732 0.265 18374 14246 1 49 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.950 0.897 18374 14247 1 49 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.528 -0.397 18374 14248 1 49 . 1 1 52 52 ARG CB C 52 34.985 34.985 33.656 1.329 18374 14249 1 49 . 1 1 52 52 ARG H H 52 8.639 8.639 8.381 0.258 18374 14250 1 49 . 1 1 53 53 CYS N N 53 120.743 120.743 120.338 0.405 18374 14251 1 49 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.543 -1.050 18374 14252 1 49 . 1 1 53 53 CYS CA C 53 57.204 57.204 56.997 0.207 18374 14253 1 49 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.493 0.286 18374 14254 1 49 . 1 1 53 53 CYS H H 53 8.933 8.933 8.589 0.344 18374 14255 1 49 . 1 1 54 54 ARG N N 54 121.407 121.407 120.140 1.267 18374 14256 1 49 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.158 -0.348 18374 14257 1 49 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.312 0.075 18374 14258 1 49 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.478 -0.595 18374 14259 1 49 . 1 1 54 54 ARG H H 54 10.380 10.380 8.735 1.645 18374 14260 1 49 . 1 1 55 55 SER N N 55 117.300 117.300 114.118 3.182 18374 14261 1 49 . 1 1 55 55 SER HA H 55 4.258 4.258 4.268 -0.010 18374 14262 1 49 . 1 1 55 55 SER CA C 55 61.216 61.216 61.007 0.209 18374 14263 1 49 . 1 1 55 55 SER CB C 55 62.830 62.830 63.227 -0.397 18374 14264 1 49 . 1 1 55 55 SER H H 55 8.228 8.228 7.929 0.299 18374 14265 1 49 . 1 1 56 56 CYS N N 56 122.602 122.602 120.258 2.344 18374 14266 1 49 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.349 -0.163 18374 14267 1 49 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.856 0.386 18374 14268 1 49 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.130 2.786 18374 14269 1 49 . 1 1 56 56 CYS H H 56 7.999 7.999 7.797 0.202 18374 14270 1 49 . 1 1 57 57 SER N N 57 115.430 115.430 113.408 2.022 18374 14271 1 49 . 1 1 57 57 SER HA H 57 4.266 4.266 4.527 -0.262 18374 14272 1 49 . 1 1 57 57 SER CA C 57 59.992 59.992 58.831 1.161 18374 14273 1 49 . 1 1 57 57 SER CB C 57 63.492 63.492 63.356 0.136 18374 14274 1 49 . 1 1 57 57 SER H H 57 7.938 7.938 8.499 -0.561 18374 14275 1 49 . 1 1 58 58 GLY N N 58 109.391 109.391 111.155 -1.764 18374 14276 1 49 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.984 0.442 18374 14277 1 49 . 1 1 58 58 GLY H H 58 8.013 8.013 7.620 0.393 18374 14278 1 49 . 1 1 59 59 ASP N N 59 120.345 120.345 120.546 -0.201 18374 14279 1 49 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.709 -0.118 18374 14280 1 49 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.442 0.850 18374 14281 1 49 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.127 -0.044 18374 14282 1 49 . 1 1 59 59 ASP H H 59 8.130 8.130 7.836 0.294 18374 14283 1 49 . 1 1 60 60 VAL N N 60 119.548 119.548 122.593 -3.045 18374 14284 1 49 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.204 -0.046 18374 14285 1 49 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.302 -0.387 18374 14286 1 49 . 1 1 60 60 VAL CB C 60 32.515 32.515 30.266 2.249 18374 14287 1 49 . 1 1 60 60 VAL H H 60 8.072 8.072 8.038 0.034 18374 14288 1 49 . 1 1 61 61 THR N N 61 121.407 121.407 119.456 1.951 18374 14289 1 49 . 1 1 61 61 THR HA H 61 4.509 4.509 4.724 -0.215 18374 14290 1 49 . 1 1 61 61 THR CA C 61 59.848 59.848 59.220 0.628 18374 14291 1 49 . 1 1 61 61 THR CB C 61 69.602 69.602 69.501 0.101 18374 14292 1 49 . 1 1 61 61 THR H H 61 8.335 8.335 7.784 0.551 18374 14293 1 49 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.477 -0.115 18374 14294 1 49 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.861 0.042 18374 14295 1 49 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.303 -0.354 18374 14296 1 49 . 1 1 63 63 ALA N N 63 125.923 125.923 128.262 -2.339 18374 14297 1 49 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.393 0.145 18374 14298 1 49 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.670 -0.402 18374 14299 1 49 . 1 1 63 63 ALA CB C 63 17.700 17.700 18.777 -1.077 18374 14300 1 49 . 1 1 63 63 ALA H H 63 8.368 8.368 8.328 0.040 18374 14301 1 49 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.436 -0.026 18374 14302 1 49 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.874 0.023 18374 14303 1 49 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.650 1.274 18374 14304 1 49 . 1 1 65 65 VAL N N 65 120.526 120.526 126.282 -5.756 18374 14305 1 49 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.150 -0.077 18374 14306 1 49 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.727 -0.401 18374 14307 1 49 . 1 1 65 65 VAL CB C 65 32.080 32.080 31.919 0.161 18374 14308 1 49 . 1 1 65 65 VAL H H 65 8.270 8.270 8.042 0.228 18374 14309 1 50 . 1 1 2 2 ALA N N 2 123.688 123.688 124.887 -1.199 18374 14310 1 50 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.419 -0.121 18374 14311 1 50 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.012 0.698 18374 14312 1 50 . 1 1 2 2 ALA CB C 2 19.235 19.235 17.955 1.280 18374 14313 1 50 . 1 1 2 2 ALA H H 2 8.653 8.653 8.308 0.345 18374 14314 1 50 . 1 1 3 3 MET N N 3 119.289 119.289 121.680 -2.391 18374 14315 1 50 . 1 1 3 3 MET HA H 3 4.426 4.426 4.388 0.038 18374 14316 1 50 . 1 1 3 3 MET CA C 3 55.430 55.430 55.859 -0.429 18374 14317 1 50 . 1 1 3 3 MET CB C 3 32.532 32.532 33.350 -0.818 18374 14318 1 50 . 1 1 3 3 MET H H 3 8.545 8.545 8.279 0.266 18374 14319 1 50 . 1 1 4 4 GLU N N 4 122.149 122.149 118.277 3.872 18374 14320 1 50 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.176 0.068 18374 14321 1 50 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.645 0.386 18374 14322 1 50 . 1 1 4 4 GLU CB C 4 30.006 30.006 28.024 1.982 18374 14323 1 50 . 1 1 4 4 GLU H H 4 8.440 8.440 8.341 0.099 18374 14324 1 50 . 1 1 5 5 GLY N N 5 110.051 110.051 107.665 2.386 18374 14325 1 50 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.485 -0.077 18374 14326 1 50 . 1 1 5 5 GLY H H 5 8.500 8.500 8.213 0.287 18374 14327 1 50 . 1 1 6 6 GLN N N 6 119.509 119.509 118.537 0.972 18374 14328 1 50 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.466 -0.180 18374 14329 1 50 . 1 1 6 6 GLN CA C 6 56.000 56.000 55.268 0.732 18374 14330 1 50 . 1 1 6 6 GLN CB C 6 29.208 29.208 29.501 -0.293 18374 14331 1 50 . 1 1 6 6 GLN H H 6 8.242 8.242 7.846 0.396 18374 14332 1 50 . 1 1 7 7 GLN N N 7 121.049 121.049 119.047 2.002 18374 14333 1 50 . 1 1 7 7 GLN HA H 7 4.261 4.261 3.964 0.297 18374 14334 1 50 . 1 1 7 7 GLN CA C 7 56.104 56.104 56.075 0.029 18374 14335 1 50 . 1 1 7 7 GLN CB C 7 29.204 29.204 27.393 1.811 18374 14336 1 50 . 1 1 7 7 GLN H H 7 8.534 8.534 8.167 0.367 18374 14337 1 50 . 1 1 8 8 ASN N N 8 119.289 119.289 120.061 -0.772 18374 14338 1 50 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.728 -0.083 18374 14339 1 50 . 1 1 8 8 ASN CA C 8 53.107 53.107 54.184 -1.077 18374 14340 1 50 . 1 1 8 8 ASN CB C 8 38.519 38.519 39.458 -0.939 18374 14341 1 50 . 1 1 8 8 ASN H H 8 8.486 8.486 8.642 -0.156 18374 14342 1 50 . 1 1 9 9 LEU N N 9 122.204 122.204 123.605 -1.401 18374 14343 1 50 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.273 0.018 18374 14344 1 50 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.779 -0.063 18374 14345 1 50 . 1 1 9 9 LEU CB C 9 42.397 42.397 42.216 0.181 18374 14346 1 50 . 1 1 9 9 LEU H H 9 8.145 8.145 8.288 -0.143 18374 14347 1 50 . 1 1 10 10 ALA N N 10 126.188 126.188 130.888 -4.700 18374 14348 1 50 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.608 -0.076 18374 14349 1 50 . 1 1 10 10 ALA CA C 10 50.337 50.337 49.993 0.344 18374 14350 1 50 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.668 -0.875 18374 14351 1 50 . 1 1 10 10 ALA H H 10 8.324 8.324 8.307 0.017 18374 14352 1 50 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.437 -0.073 18374 14353 1 50 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.198 0.710 18374 14354 1 50 . 1 1 11 11 PRO CB C 11 31.869 31.869 29.787 2.082 18374 14355 1 50 . 1 1 12 12 GLY N N 12 108.951 108.951 109.106 -0.155 18374 14356 1 50 . 1 1 12 12 GLY CA C 12 45.221 45.221 44.585 0.636 18374 14357 1 50 . 1 1 12 12 GLY H H 12 8.501 8.501 8.398 0.103 18374 14358 1 50 . 1 1 13 13 ALA N N 13 123.134 123.134 124.398 -1.264 18374 14359 1 50 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.433 -0.199 18374 14360 1 50 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.105 1.004 18374 14361 1 50 . 1 1 13 13 ALA CB C 13 19.525 19.525 17.659 1.867 18374 14362 1 50 . 1 1 13 13 ALA H H 13 7.957 7.957 8.115 -0.158 18374 14363 1 50 . 1 1 14 14 ARG N N 14 116.759 116.759 119.997 -3.238 18374 14364 1 50 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.604 -0.485 18374 14365 1 50 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.044 -1.234 18374 14366 1 50 . 1 1 14 14 ARG CB C 14 32.453 32.453 34.000 -1.547 18374 14367 1 50 . 1 1 14 14 ARG H H 14 7.990 7.990 7.669 0.321 18374 14368 1 50 . 1 1 15 15 CYS N N 15 123.688 123.688 124.795 -1.107 18374 14369 1 50 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.560 -0.543 18374 14370 1 50 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.785 0.326 18374 14371 1 50 . 1 1 15 15 CYS CB C 15 31.057 31.057 27.354 3.703 18374 14372 1 50 . 1 1 15 15 CYS H H 15 7.646 7.646 8.721 -1.075 18374 14373 1 50 . 1 1 16 16 GLY N N 16 117.749 117.749 117.010 0.739 18374 14374 1 50 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.946 -0.161 18374 14375 1 50 . 1 1 16 16 GLY H H 16 8.916 8.916 8.984 -0.068 18374 14376 1 50 . 1 1 17 17 VAL N N 17 122.602 122.602 119.952 2.650 18374 14377 1 50 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.941 0.073 18374 14378 1 50 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.489 0.542 18374 14379 1 50 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.358 0.482 18374 14380 1 50 . 1 1 17 17 VAL H H 17 8.856 8.856 7.841 1.015 18374 14381 1 50 . 1 1 18 18 CYS N N 18 115.430 115.430 117.013 -1.583 18374 14382 1 50 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.759 0.167 18374 14383 1 50 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.688 -1.509 18374 14384 1 50 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.666 0.945 18374 14385 1 50 . 1 1 18 18 CYS H H 18 7.758 7.758 8.081 -0.323 18374 14386 1 50 . 1 1 19 19 GLY N N 19 113.040 113.040 108.604 4.436 18374 14387 1 50 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.028 1.329 18374 14388 1 50 . 1 1 19 19 GLY H H 19 8.029 8.029 8.600 -0.571 18374 14389 1 50 . 1 1 20 20 ASP N N 20 123.399 123.399 121.398 2.001 18374 14390 1 50 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.749 0.258 18374 14391 1 50 . 1 1 20 20 ASP CA C 20 53.514 53.514 54.257 -0.743 18374 14392 1 50 . 1 1 20 20 ASP CB C 20 44.542 44.542 42.641 1.901 18374 14393 1 50 . 1 1 20 20 ASP H H 20 8.722 8.722 7.872 0.850 18374 14394 1 50 . 1 1 21 21 GLY N N 21 111.371 111.371 107.862 3.509 18374 14395 1 50 . 1 1 21 21 GLY CA C 21 45.107 45.107 45.062 0.045 18374 14396 1 50 . 1 1 21 21 GLY H H 21 8.667 8.667 8.648 0.019 18374 14397 1 50 . 1 1 22 22 THR N N 22 118.220 118.220 118.021 0.199 18374 14398 1 50 . 1 1 22 22 THR HA H 22 3.979 3.979 4.288 -0.309 18374 14399 1 50 . 1 1 22 22 THR CA C 22 64.367 64.367 63.408 0.959 18374 14400 1 50 . 1 1 22 22 THR CB C 22 67.783 67.783 69.222 -1.439 18374 14401 1 50 . 1 1 22 22 THR H H 22 8.784 8.784 7.731 1.053 18374 14402 1 50 . 1 1 23 23 ASP N N 23 127.251 127.251 123.081 4.170 18374 14403 1 50 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.277 0.024 18374 14404 1 50 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.426 0.001 18374 14405 1 50 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.155 -1.116 18374 14406 1 50 . 1 1 23 23 ASP H H 23 9.376 9.376 8.888 0.488 18374 14407 1 50 . 1 1 24 24 VAL N N 24 111.371 111.371 118.092 -6.721 18374 14408 1 50 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.265 -0.705 18374 14409 1 50 . 1 1 24 24 VAL CA C 24 61.716 61.716 61.036 0.680 18374 14410 1 50 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.263 -0.971 18374 14411 1 50 . 1 1 24 24 VAL H H 24 7.402 7.402 7.529 -0.127 18374 14412 1 50 . 1 1 25 25 LEU N N 25 123.908 123.908 126.741 -2.833 18374 14413 1 50 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.608 -0.269 18374 14414 1 50 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.520 -0.998 18374 14415 1 50 . 1 1 25 25 LEU CB C 25 42.442 42.442 44.147 -1.705 18374 14416 1 50 . 1 1 25 25 LEU H H 25 8.328 8.328 8.706 -0.378 18374 14417 1 50 . 1 1 26 26 ARG N N 26 116.626 116.626 119.258 -2.632 18374 14418 1 50 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.365 -0.264 18374 14419 1 50 . 1 1 26 26 ARG CA C 26 52.655 52.655 54.061 -1.406 18374 14420 1 50 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.988 -0.320 18374 14421 1 50 . 1 1 26 26 ARG H H 26 7.877 7.877 8.062 -0.185 18374 14422 1 50 . 1 1 27 27 CYS N N 27 126.328 126.328 122.653 3.675 18374 14423 1 50 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.677 -0.362 18374 14424 1 50 . 1 1 27 27 CYS CA C 27 60.398 60.398 59.313 1.085 18374 14425 1 50 . 1 1 27 27 CYS CB C 27 30.667 30.667 27.892 2.775 18374 14426 1 50 . 1 1 27 27 CYS H H 27 9.182 9.182 8.711 0.471 18374 14427 1 50 . 1 1 28 28 THR N N 28 122.470 122.470 121.522 0.948 18374 14428 1 50 . 1 1 28 28 THR HA H 28 4.166 4.166 4.293 -0.127 18374 14429 1 50 . 1 1 28 28 THR CA C 28 64.686 64.686 62.685 2.001 18374 14430 1 50 . 1 1 28 28 THR CB C 28 69.846 69.846 68.513 1.333 18374 14431 1 50 . 1 1 28 28 THR H H 28 8.956 8.956 8.941 0.015 18374 14432 1 50 . 1 1 29 29 HIS N N 29 123.908 123.908 117.290 6.618 18374 14433 1 50 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.696 0.213 18374 14434 1 50 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.700 1.404 18374 14435 1 50 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.924 -1.379 18374 14436 1 50 . 1 1 29 29 HIS H H 29 9.464 9.464 7.799 1.665 18374 14437 1 50 . 1 1 30 30 CYS N N 30 119.946 119.946 117.373 2.573 18374 14438 1 50 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.731 0.080 18374 14439 1 50 . 1 1 30 30 CYS CA C 30 59.090 59.090 57.388 1.702 18374 14440 1 50 . 1 1 30 30 CYS CB C 30 32.898 32.898 31.078 1.819 18374 14441 1 50 . 1 1 30 30 CYS H H 30 8.710 8.710 7.811 0.899 18374 14442 1 50 . 1 1 31 31 ALA N N 31 120.477 120.477 124.497 -4.020 18374 14443 1 50 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.454 -0.170 18374 14444 1 50 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.933 2.557 18374 14445 1 50 . 1 1 31 31 ALA CB C 31 17.418 17.418 18.871 -1.453 18374 14446 1 50 . 1 1 31 31 ALA H H 31 7.626 7.626 8.467 -0.841 18374 14447 1 50 . 1 1 32 32 ALA N N 32 125.524 125.524 126.499 -0.975 18374 14448 1 50 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.500 -0.254 18374 14449 1 50 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.695 1.145 18374 14450 1 50 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.460 -1.126 18374 14451 1 50 . 1 1 32 32 ALA H H 32 9.152 9.152 8.334 0.818 18374 14452 1 50 . 1 1 33 33 ALA N N 33 123.257 123.257 129.055 -5.798 18374 14453 1 50 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.505 -0.095 18374 14454 1 50 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.258 -0.452 18374 14455 1 50 . 1 1 33 33 ALA CB C 33 19.628 19.628 19.691 -0.063 18374 14456 1 50 . 1 1 33 33 ALA H H 33 8.490 8.490 8.902 -0.412 18374 14457 1 50 . 1 1 34 34 PHE N N 34 118.220 118.220 121.565 -3.345 18374 14458 1 50 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.687 0.387 18374 14459 1 50 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.189 -0.427 18374 14460 1 50 . 1 1 34 34 PHE CB C 34 39.222 39.222 41.084 -1.862 18374 14461 1 50 . 1 1 34 34 PHE H H 34 8.948 8.948 8.709 0.239 18374 14462 1 50 . 1 1 35 35 HIS N N 35 116.759 116.759 121.373 -4.614 18374 14463 1 50 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.855 0.031 18374 14464 1 50 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.915 1.223 18374 14465 1 50 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.228 0.795 18374 14466 1 50 . 1 1 35 35 HIS H H 35 7.932 7.932 7.950 -0.018 18374 14467 1 50 . 1 1 36 36 TRP N N 36 127.649 127.649 127.700 -0.051 18374 14468 1 50 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.606 -0.168 18374 14469 1 50 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.776 -0.403 18374 14470 1 50 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.865 -0.541 18374 14471 1 50 . 1 1 36 36 TRP H H 36 9.421 9.421 9.102 0.319 18374 14472 1 50 . 1 1 37 37 ARG N N 37 113.040 113.040 114.678 -1.638 18374 14473 1 50 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.505 -0.101 18374 14474 1 50 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.171 -0.698 18374 14475 1 50 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.519 -0.352 18374 14476 1 50 . 1 1 37 37 ARG H H 37 9.075 9.075 8.540 0.535 18374 14477 1 50 . 1 1 38 38 CYS N N 38 116.493 116.493 115.451 1.042 18374 14478 1 50 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.552 -0.334 18374 14479 1 50 . 1 1 38 38 CYS CA C 38 62.459 62.459 59.970 2.489 18374 14480 1 50 . 1 1 38 38 CYS CB C 38 29.676 29.676 27.024 2.652 18374 14481 1 50 . 1 1 38 38 CYS H H 38 7.169 7.169 8.136 -0.967 18374 14482 1 50 . 1 1 39 39 HIS N N 39 118.220 118.220 116.318 1.902 18374 14483 1 50 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.215 0.008 18374 14484 1 50 . 1 1 39 39 HIS CA C 39 58.476 58.476 56.531 1.945 18374 14485 1 50 . 1 1 39 39 HIS CB C 39 35.340 35.340 30.993 4.347 18374 14486 1 50 . 1 1 39 39 HIS H H 39 7.562 7.562 7.588 -0.026 18374 14487 1 50 . 1 1 40 40 PHE N N 40 117.157 117.157 117.243 -0.086 18374 14488 1 50 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.800 -0.017 18374 14489 1 50 . 1 1 40 40 PHE CA C 40 52.659 52.659 54.882 -2.223 18374 14490 1 50 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.599 -0.792 18374 14491 1 50 . 1 1 40 40 PHE H H 40 8.282 8.282 8.266 0.016 18374 14492 1 50 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.418 0.069 18374 14493 1 50 . 1 1 41 41 PRO CA C 41 63.219 63.219 63.113 0.106 18374 14494 1 50 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.207 0.008 18374 14495 1 50 . 1 1 42 42 ALA N N 42 123.001 123.001 125.697 -2.696 18374 14496 1 50 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.228 0.130 18374 14497 1 50 . 1 1 42 42 ALA CA C 42 53.013 53.013 54.087 -1.074 18374 14498 1 50 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.745 -0.104 18374 14499 1 50 . 1 1 42 42 ALA H H 42 8.635 8.635 8.624 0.011 18374 14500 1 50 . 1 1 43 43 GLY N N 43 108.291 108.291 105.268 3.023 18374 14501 1 50 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.164 0.302 18374 14502 1 50 . 1 1 43 43 GLY H H 43 8.529 8.529 8.223 0.306 18374 14503 1 50 . 1 1 44 44 THR N N 44 113.961 113.961 118.322 -4.361 18374 14504 1 50 . 1 1 44 44 THR HA H 44 4.424 4.424 4.421 0.003 18374 14505 1 50 . 1 1 44 44 THR CA C 44 62.074 62.074 62.729 -0.655 18374 14506 1 50 . 1 1 44 44 THR CB C 44 70.259 70.259 69.800 0.459 18374 14507 1 50 . 1 1 44 44 THR H H 44 7.971 7.971 7.848 0.123 18374 14508 1 50 . 1 1 45 45 SER N N 45 120.467 120.467 120.354 0.113 18374 14509 1 50 . 1 1 45 45 SER HA H 45 4.280 4.280 4.477 -0.197 18374 14510 1 50 . 1 1 45 45 SER CA C 45 58.274 58.274 58.277 -0.003 18374 14511 1 50 . 1 1 45 45 SER CB C 45 63.906 63.906 63.939 -0.033 18374 14512 1 50 . 1 1 45 45 SER H H 45 8.644 8.644 8.551 0.093 18374 14513 1 50 . 1 1 46 46 ARG N N 46 124.196 124.196 126.655 -2.459 18374 14514 1 50 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.005 0.915 18374 14515 1 50 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.548 -0.396 18374 14516 1 50 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.273 0.629 18374 14517 1 50 . 1 1 46 46 ARG H H 46 8.197 8.197 8.163 0.034 18374 14518 1 50 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.368 -0.070 18374 14519 1 50 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.403 0.415 18374 14520 1 50 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.503 -0.317 18374 14521 1 50 . 1 1 48 48 GLY N N 48 108.071 108.071 109.292 -1.221 18374 14522 1 50 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.612 0.067 18374 14523 1 50 . 1 1 48 48 GLY H H 48 8.492 8.492 8.639 -0.147 18374 14524 1 50 . 1 1 49 49 THR N N 49 111.151 111.151 113.645 -2.494 18374 14525 1 50 . 1 1 49 49 THR HA H 49 4.377 4.377 4.359 0.018 18374 14526 1 50 . 1 1 49 49 THR CA C 49 60.690 60.690 60.760 -0.070 18374 14527 1 50 . 1 1 49 49 THR CB C 49 70.332 70.332 68.011 2.321 18374 14528 1 50 . 1 1 49 49 THR H H 49 7.669 7.669 7.652 0.017 18374 14529 1 50 . 1 1 50 50 GLY N N 50 110.491 110.491 108.941 1.550 18374 14530 1 50 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.488 1.693 18374 14531 1 50 . 1 1 50 50 GLY H H 50 8.459 8.459 7.106 1.353 18374 14532 1 50 . 1 1 51 51 LEU N N 51 121.407 121.407 123.291 -1.884 18374 14533 1 50 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.359 -0.077 18374 14534 1 50 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.065 1.303 18374 14535 1 50 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.403 0.416 18374 14536 1 50 . 1 1 51 51 LEU H H 51 8.248 8.248 8.392 -0.144 18374 14537 1 50 . 1 1 52 52 ARG N N 52 124.997 124.997 126.182 -1.185 18374 14538 1 50 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.845 1.002 18374 14539 1 50 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.792 -0.661 18374 14540 1 50 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.354 2.631 18374 14541 1 50 . 1 1 52 52 ARG H H 52 8.639 8.639 8.512 0.127 18374 14542 1 50 . 1 1 53 53 CYS N N 53 120.743 120.743 122.203 -1.460 18374 14543 1 50 . 1 1 53 53 CYS HA H 53 3.493 3.493 5.014 -1.521 18374 14544 1 50 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.071 0.133 18374 14545 1 50 . 1 1 53 53 CYS CB C 53 30.779 30.779 30.713 0.066 18374 14546 1 50 . 1 1 53 53 CYS H H 53 8.933 8.933 8.509 0.424 18374 14547 1 50 . 1 1 54 54 ARG N N 54 121.407 121.407 120.267 1.140 18374 14548 1 50 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.284 -0.474 18374 14549 1 50 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.421 -0.034 18374 14550 1 50 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.497 -0.614 18374 14551 1 50 . 1 1 54 54 ARG H H 54 10.380 10.380 8.805 1.575 18374 14552 1 50 . 1 1 55 55 SER N N 55 117.300 117.300 114.992 2.308 18374 14553 1 50 . 1 1 55 55 SER HA H 55 4.258 4.258 4.314 -0.056 18374 14554 1 50 . 1 1 55 55 SER CA C 55 61.216 61.216 61.479 -0.263 18374 14555 1 50 . 1 1 55 55 SER CB C 55 62.830 62.830 62.936 -0.106 18374 14556 1 50 . 1 1 55 55 SER H H 55 8.228 8.228 8.267 -0.039 18374 14557 1 50 . 1 1 56 56 CYS N N 56 122.602 122.602 119.901 2.701 18374 14558 1 50 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.451 -0.265 18374 14559 1 50 . 1 1 56 56 CYS CA C 56 61.242 61.242 61.086 0.156 18374 14560 1 50 . 1 1 56 56 CYS CB C 56 29.916 29.916 27.045 2.871 18374 14561 1 50 . 1 1 56 56 CYS H H 56 7.999 7.999 7.773 0.226 18374 14562 1 50 . 1 1 57 57 SER N N 57 115.430 115.430 114.486 0.944 18374 14563 1 50 . 1 1 57 57 SER HA H 57 4.266 4.266 4.449 -0.183 18374 14564 1 50 . 1 1 57 57 SER CA C 57 59.992 59.992 60.542 -0.550 18374 14565 1 50 . 1 1 57 57 SER CB C 57 63.492 63.492 63.024 0.468 18374 14566 1 50 . 1 1 57 57 SER H H 57 7.938 7.938 8.661 -0.723 18374 14567 1 50 . 1 1 58 58 GLY N N 58 109.391 109.391 110.993 -1.602 18374 14568 1 50 . 1 1 58 58 GLY CA C 58 45.426 45.426 45.317 0.109 18374 14569 1 50 . 1 1 58 58 GLY H H 58 8.013 8.013 7.682 0.331 18374 14570 1 50 . 1 1 59 59 ASP N N 59 120.345 120.345 123.486 -3.141 18374 14571 1 50 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.792 -0.201 18374 14572 1 50 . 1 1 59 59 ASP CA C 59 54.292 54.292 54.098 0.194 18374 14573 1 50 . 1 1 59 59 ASP CB C 59 41.083 41.083 40.590 0.493 18374 14574 1 50 . 1 1 59 59 ASP H H 59 8.130 8.130 8.374 -0.244 18374 14575 1 50 . 1 1 60 60 VAL N N 60 119.548 119.548 124.960 -5.412 18374 14576 1 50 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.295 -0.137 18374 14577 1 50 . 1 1 60 60 VAL CA C 60 61.915 61.915 62.439 -0.524 18374 14578 1 50 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.006 0.509 18374 14579 1 50 . 1 1 60 60 VAL H H 60 8.072 8.072 8.008 0.064 18374 14580 1 50 . 1 1 61 61 THR N N 61 121.407 121.407 122.136 -0.729 18374 14581 1 50 . 1 1 61 61 THR HA H 61 4.509 4.509 4.700 -0.191 18374 14582 1 50 . 1 1 61 61 THR CA C 61 59.848 59.848 58.986 0.862 18374 14583 1 50 . 1 1 61 61 THR CB C 61 69.602 69.602 68.766 0.836 18374 14584 1 50 . 1 1 61 61 THR H H 61 8.335 8.335 8.284 0.051 18374 14585 1 50 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.376 -0.014 18374 14586 1 50 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.711 0.192 18374 14587 1 50 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.282 -0.333 18374 14588 1 50 . 1 1 63 63 ALA N N 63 125.923 125.923 126.850 -0.927 18374 14589 1 50 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.351 0.187 18374 14590 1 50 . 1 1 63 63 ALA CA C 63 50.268 50.268 51.036 -0.768 18374 14591 1 50 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.228 -1.528 18374 14592 1 50 . 1 1 63 63 ALA H H 63 8.368 8.368 8.324 0.044 18374 14593 1 50 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.466 -0.056 18374 14594 1 50 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.768 0.129 18374 14595 1 50 . 1 1 64 64 PRO CB C 64 31.924 31.924 29.822 2.102 18374 14596 1 50 . 1 1 65 65 VAL N N 65 120.526 120.526 122.741 -2.215 18374 14597 1 50 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.147 -0.074 18374 14598 1 50 . 1 1 65 65 VAL CA C 65 62.326 62.326 62.429 -0.103 18374 14599 1 50 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.321 -0.240 18374 14600 1 50 . 1 1 65 65 VAL H H 65 8.270 8.270 8.095 0.175 18374 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 59 2.808 0.155 2.828 18374 2 1 1 "Average Difference" HA 72 0.340 0.045 0.339 18374 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18374 4 1 1 "Average Difference" CA 64 1.019 -0.161 1.015 18374 5 1 1 "Average Difference" CB 55 1.480 -0.345 1.452 18374 6 1 1 "Average Difference" HN 59 0.510 -0.163 0.487 18374 7 1 2 "Average Difference" N 59 2.711 0.089 2.733 18374 8 1 2 "Average Difference" HA 72 0.285 0.051 0.282 18374 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18374 10 1 2 "Average Difference" CA 64 1.046 -0.310 1.007 18374 11 1 2 "Average Difference" CB 55 1.578 -0.245 1.573 18374 12 1 2 "Average Difference" HN 59 0.557 -0.162 0.537 18374 13 1 3 "Average Difference" N 59 2.672 0.453 2.656 18374 14 1 3 "Average Difference" HA 72 0.282 0.055 0.278 18374 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18374 16 1 3 "Average Difference" CA 64 1.022 -0.243 1.001 18374 17 1 3 "Average Difference" CB 55 1.429 -0.220 1.425 18374 18 1 3 "Average Difference" HN 59 0.520 -0.182 0.491 18374 19 1 4 "Average Difference" N 59 2.859 0.123 2.880 18374 20 1 4 "Average Difference" HA 72 0.315 0.041 0.314 18374 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18374 22 1 4 "Average Difference" CA 64 1.031 -0.359 0.974 18374 23 1 4 "Average Difference" CB 55 1.492 -0.288 1.478 18374 24 1 4 "Average Difference" HN 59 0.541 -0.200 0.507 18374 25 1 5 "Average Difference" N 59 2.718 0.213 2.733 18374 26 1 5 "Average Difference" HA 72 0.301 0.057 0.297 18374 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18374 28 1 5 "Average Difference" CA 64 1.057 -0.253 1.034 18374 29 1 5 "Average Difference" CB 55 1.436 -0.415 1.387 18374 30 1 5 "Average Difference" HN 59 0.514 -0.110 0.506 18374 31 1 6 "Average Difference" N 59 2.694 0.316 2.699 18374 32 1 6 "Average Difference" HA 72 0.332 0.077 0.325 18374 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18374 34 1 6 "Average Difference" CA 64 1.037 -0.157 1.034 18374 35 1 6 "Average Difference" CB 55 1.465 -0.406 1.421 18374 36 1 6 "Average Difference" HN 59 0.536 -0.191 0.505 18374 37 1 7 "Average Difference" N 59 2.974 0.243 2.990 18374 38 1 7 "Average Difference" HA 72 0.329 0.082 0.320 18374 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18374 40 1 7 "Average Difference" CA 64 1.102 -0.300 1.069 18374 41 1 7 "Average Difference" CB 55 1.395 -0.209 1.392 18374 42 1 7 "Average Difference" HN 59 0.499 -0.113 0.490 18374 43 1 8 "Average Difference" N 59 2.946 -0.091 2.969 18374 44 1 8 "Average Difference" HA 72 0.319 0.064 0.315 18374 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18374 46 1 8 "Average Difference" CA 64 1.019 -0.152 1.015 18374 47 1 8 "Average Difference" CB 55 1.504 -0.292 1.489 18374 48 1 8 "Average Difference" HN 59 0.543 -0.171 0.520 18374 49 1 9 "Average Difference" N 59 2.944 0.470 2.932 18374 50 1 9 "Average Difference" HA 72 0.328 0.072 0.322 18374 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18374 52 1 9 "Average Difference" CA 64 1.054 -0.280 1.024 18374 53 1 9 "Average Difference" CB 55 1.556 -0.235 1.553 18374 54 1 9 "Average Difference" HN 59 0.516 -0.151 0.497 18374 55 1 10 "Average Difference" N 59 2.852 0.155 2.872 18374 56 1 10 "Average Difference" HA 72 0.300 0.039 0.300 18374 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18374 58 1 10 "Average Difference" CA 64 1.028 -0.167 1.023 18374 59 1 10 "Average Difference" CB 55 1.505 -0.398 1.465 18374 60 1 10 "Average Difference" HN 59 0.562 -0.193 0.532 18374 61 1 11 "Average Difference" N 59 2.434 0.063 2.454 18374 62 1 11 "Average Difference" HA 72 0.348 0.068 0.343 18374 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18374 64 1 11 "Average Difference" CA 64 1.114 -0.439 1.031 18374 65 1 11 "Average Difference" CB 55 1.426 -0.186 1.427 18374 66 1 11 "Average Difference" HN 59 0.538 -0.197 0.505 18374 67 1 12 "Average Difference" N 59 2.866 0.381 2.865 18374 68 1 12 "Average Difference" HA 72 0.344 0.027 0.346 18374 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18374 70 1 12 "Average Difference" CA 64 1.058 -0.128 1.058 18374 71 1 12 "Average Difference" CB 55 1.604 -0.302 1.589 18374 72 1 12 "Average Difference" HN 59 0.598 -0.197 0.569 18374 73 1 13 "Average Difference" N 59 2.818 0.262 2.830 18374 74 1 13 "Average Difference" HA 72 0.279 0.024 0.280 18374 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18374 76 1 13 "Average Difference" CA 64 0.978 -0.164 0.972 18374 77 1 13 "Average Difference" CB 55 1.499 -0.404 1.456 18374 78 1 13 "Average Difference" HN 59 0.520 -0.120 0.510 18374 79 1 14 "Average Difference" N 59 2.925 0.107 2.949 18374 80 1 14 "Average Difference" HA 72 0.304 0.069 0.298 18374 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18374 82 1 14 "Average Difference" CA 64 1.011 -0.304 0.972 18374 83 1 14 "Average Difference" CB 55 1.545 -0.266 1.536 18374 84 1 14 "Average Difference" HN 59 0.553 -0.161 0.534 18374 85 1 15 "Average Difference" N 59 2.881 0.305 2.889 18374 86 1 15 "Average Difference" HA 72 0.327 0.073 0.321 18374 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18374 88 1 15 "Average Difference" CA 64 1.032 -0.280 1.001 18374 89 1 15 "Average Difference" CB 55 1.430 -0.302 1.410 18374 90 1 15 "Average Difference" HN 59 0.543 -0.146 0.527 18374 91 1 16 "Average Difference" N 59 2.937 0.482 2.922 18374 92 1 16 "Average Difference" HA 72 0.322 0.059 0.319 18374 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18374 94 1 16 "Average Difference" CA 64 1.068 -0.167 1.063 18374 95 1 16 "Average Difference" CB 55 1.335 -0.145 1.339 18374 96 1 16 "Average Difference" HN 59 0.547 -0.154 0.529 18374 97 1 17 "Average Difference" N 59 2.599 0.213 2.612 18374 98 1 17 "Average Difference" HA 72 0.318 0.060 0.315 18374 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18374 100 1 17 "Average Difference" CA 64 1.017 -0.116 1.019 18374 101 1 17 "Average Difference" CB 55 1.468 -0.408 1.423 18374 102 1 17 "Average Difference" HN 59 0.565 -0.199 0.534 18374 103 1 18 "Average Difference" N 59 2.716 0.152 2.735 18374 104 1 18 "Average Difference" HA 72 0.307 0.047 0.306 18374 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18374 106 1 18 "Average Difference" CA 64 1.070 -0.215 1.057 18374 107 1 18 "Average Difference" CB 55 1.513 -0.327 1.491 18374 108 1 18 "Average Difference" HN 59 0.511 -0.176 0.484 18374 109 1 19 "Average Difference" N 59 2.782 0.325 2.786 18374 110 1 19 "Average Difference" HA 72 0.284 0.065 0.278 18374 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18374 112 1 19 "Average Difference" CA 64 1.037 -0.195 1.027 18374 113 1 19 "Average Difference" CB 55 1.451 -0.129 1.459 18374 114 1 19 "Average Difference" HN 59 0.546 -0.150 0.530 18374 115 1 20 "Average Difference" N 59 2.764 0.109 2.785 18374 116 1 20 "Average Difference" HA 72 0.325 0.051 0.324 18374 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18374 118 1 20 "Average Difference" CA 64 1.053 -0.245 1.032 18374 119 1 20 "Average Difference" CB 55 1.560 -0.335 1.538 18374 120 1 20 "Average Difference" HN 59 0.578 -0.176 0.555 18374 121 1 21 "Average Difference" N 59 2.738 0.163 2.757 18374 122 1 21 "Average Difference" HA 72 0.347 0.047 0.346 18374 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18374 124 1 21 "Average Difference" CA 64 1.015 -0.300 0.978 18374 125 1 21 "Average Difference" CB 55 1.427 -0.262 1.416 18374 126 1 21 "Average Difference" HN 59 0.520 -0.184 0.491 18374 127 1 22 "Average Difference" N 59 2.333 0.110 2.350 18374 128 1 22 "Average Difference" HA 72 0.295 0.059 0.291 18374 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18374 130 1 22 "Average Difference" CA 64 1.032 -0.163 1.027 18374 131 1 22 "Average Difference" CB 55 1.554 -0.381 1.521 18374 132 1 22 "Average Difference" HN 59 0.512 -0.163 0.490 18374 133 1 23 "Average Difference" N 59 2.883 0.630 2.838 18374 134 1 23 "Average Difference" HA 72 0.286 0.054 0.283 18374 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18374 136 1 23 "Average Difference" CA 64 1.034 -0.236 1.014 18374 137 1 23 "Average Difference" CB 55 1.507 -0.358 1.478 18374 138 1 23 "Average Difference" HN 59 0.527 -0.133 0.514 18374 139 1 24 "Average Difference" N 59 2.629 -0.139 2.648 18374 140 1 24 "Average Difference" HA 72 0.355 0.045 0.355 18374 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18374 142 1 24 "Average Difference" CA 64 1.073 -0.213 1.060 18374 143 1 24 "Average Difference" CB 55 1.516 -0.405 1.474 18374 144 1 24 "Average Difference" HN 59 0.587 -0.201 0.556 18374 145 1 25 "Average Difference" N 59 3.091 0.462 3.082 18374 146 1 25 "Average Difference" HA 72 0.335 0.060 0.332 18374 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18374 148 1 25 "Average Difference" CA 64 1.041 -0.262 1.015 18374 149 1 25 "Average Difference" CB 55 1.345 -0.136 1.350 18374 150 1 25 "Average Difference" HN 59 0.565 -0.139 0.553 18374 151 1 26 "Average Difference" N 59 2.623 0.007 2.645 18374 152 1 26 "Average Difference" HA 72 0.322 0.089 0.311 18374 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 18374 154 1 26 "Average Difference" CA 64 1.022 -0.178 1.014 18374 155 1 26 "Average Difference" CB 55 1.394 -0.293 1.375 18374 156 1 26 "Average Difference" HN 59 0.550 -0.224 0.507 18374 157 1 27 "Average Difference" N 59 2.435 -0.474 2.409 18374 158 1 27 "Average Difference" HA 72 0.330 0.077 0.323 18374 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 18374 160 1 27 "Average Difference" CA 64 1.046 -0.286 1.015 18374 161 1 27 "Average Difference" CB 55 1.509 -0.166 1.514 18374 162 1 27 "Average Difference" HN 59 0.540 -0.176 0.515 18374 163 1 28 "Average Difference" N 59 2.690 0.145 2.709 18374 164 1 28 "Average Difference" HA 72 0.347 0.069 0.343 18374 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 18374 166 1 28 "Average Difference" CA 64 0.996 -0.186 0.986 18374 167 1 28 "Average Difference" CB 55 1.578 -0.223 1.577 18374 168 1 28 "Average Difference" HN 59 0.513 -0.140 0.498 18374 169 1 29 "Average Difference" N 59 3.017 0.198 3.036 18374 170 1 29 "Average Difference" HA 72 0.285 0.061 0.280 18374 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 18374 172 1 29 "Average Difference" CA 64 0.990 -0.301 0.950 18374 173 1 29 "Average Difference" CB 55 1.618 -0.396 1.583 18374 174 1 29 "Average Difference" HN 59 0.558 -0.149 0.543 18374 175 1 30 "Average Difference" N 59 2.803 0.209 2.819 18374 176 1 30 "Average Difference" HA 72 0.315 0.076 0.308 18374 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 18374 178 1 30 "Average Difference" CA 64 1.028 -0.321 0.984 18374 179 1 30 "Average Difference" CB 55 1.563 -0.307 1.547 18374 180 1 30 "Average Difference" HN 59 0.562 -0.206 0.527 18374 181 1 31 "Average Difference" N 59 2.622 0.146 2.641 18374 182 1 31 "Average Difference" HA 72 0.319 0.078 0.312 18374 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 18374 184 1 31 "Average Difference" CA 64 1.091 -0.269 1.066 18374 185 1 31 "Average Difference" CB 55 1.459 -0.273 1.446 18374 186 1 31 "Average Difference" HN 59 0.569 -0.158 0.551 18374 187 1 32 "Average Difference" N 59 2.753 0.037 2.776 18374 188 1 32 "Average Difference" HA 72 0.336 0.035 0.337 18374 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 18374 190 1 32 "Average Difference" CA 64 1.086 -0.165 1.082 18374 191 1 32 "Average Difference" CB 55 1.562 -0.342 1.538 18374 192 1 32 "Average Difference" HN 59 0.575 -0.170 0.554 18374 193 1 33 "Average Difference" N 59 2.608 0.188 2.624 18374 194 1 33 "Average Difference" HA 72 0.335 0.088 0.326 18374 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 18374 196 1 33 "Average Difference" CA 64 1.101 -0.155 1.099 18374 197 1 33 "Average Difference" CB 55 1.500 -0.292 1.485 18374 198 1 33 "Average Difference" HN 59 0.543 -0.126 0.533 18374 199 1 34 "Average Difference" N 59 2.709 0.363 2.707 18374 200 1 34 "Average Difference" HA 72 0.338 0.069 0.334 18374 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 18374 202 1 34 "Average Difference" CA 64 1.099 -0.224 1.085 18374 203 1 34 "Average Difference" CB 55 1.432 -0.244 1.425 18374 204 1 34 "Average Difference" HN 59 0.560 -0.178 0.536 18374 205 1 35 "Average Difference" N 59 2.730 0.330 2.734 18374 206 1 35 "Average Difference" HA 72 0.322 0.058 0.319 18374 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 18374 208 1 35 "Average Difference" CA 64 1.009 -0.283 0.976 18374 209 1 35 "Average Difference" CB 55 1.419 -0.303 1.399 18374 210 1 35 "Average Difference" HN 59 0.555 -0.121 0.546 18374 211 1 36 "Average Difference" N 59 2.718 0.451 2.704 18374 212 1 36 "Average Difference" HA 72 0.307 0.078 0.300 18374 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 18374 214 1 36 "Average Difference" CA 64 1.064 -0.326 1.021 18374 215 1 36 "Average Difference" CB 55 1.504 -0.315 1.484 18374 216 1 36 "Average Difference" HN 59 0.525 -0.149 0.507 18374 217 1 37 "Average Difference" N 59 2.643 0.277 2.651 18374 218 1 37 "Average Difference" HA 72 0.344 0.047 0.343 18374 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 18374 220 1 37 "Average Difference" CA 64 0.979 -0.218 0.962 18374 221 1 37 "Average Difference" CB 55 1.455 -0.236 1.449 18374 222 1 37 "Average Difference" HN 59 0.502 -0.140 0.486 18374 223 1 38 "Average Difference" N 59 2.746 0.281 2.755 18374 224 1 38 "Average Difference" HA 72 0.314 0.066 0.310 18374 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 18374 226 1 38 "Average Difference" CA 64 0.984 -0.241 0.961 18374 227 1 38 "Average Difference" CB 55 1.414 -0.229 1.408 18374 228 1 38 "Average Difference" HN 59 0.569 -0.151 0.554 18374 229 1 39 "Average Difference" N 59 2.778 0.255 2.790 18374 230 1 39 "Average Difference" HA 72 0.286 0.056 0.283 18374 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 18374 232 1 39 "Average Difference" CA 64 1.011 -0.272 0.981 18374 233 1 39 "Average Difference" CB 55 1.457 -0.238 1.450 18374 234 1 39 "Average Difference" HN 59 0.534 -0.117 0.525 18374 235 1 40 "Average Difference" N 59 2.803 0.111 2.824 18374 236 1 40 "Average Difference" HA 72 0.287 0.042 0.286 18374 237 1 40 "Average Difference" C 0 0.000 0.000 0.000 18374 238 1 40 "Average Difference" CA 64 1.020 -0.167 1.014 18374 239 1 40 "Average Difference" CB 55 1.421 -0.356 1.389 18374 240 1 40 "Average Difference" HN 59 0.546 -0.183 0.519 18374 241 1 41 "Average Difference" N 59 2.596 0.078 2.617 18374 242 1 41 "Average Difference" HA 72 0.264 0.043 0.263 18374 243 1 41 "Average Difference" C 0 0.000 0.000 0.000 18374 244 1 41 "Average Difference" CA 64 1.038 -0.276 1.009 18374 245 1 41 "Average Difference" CB 55 1.527 -0.191 1.529 18374 246 1 41 "Average Difference" HN 59 0.540 -0.156 0.522 18374 247 1 42 "Average Difference" N 59 2.818 0.245 2.831 18374 248 1 42 "Average Difference" HA 72 0.289 0.049 0.286 18374 249 1 42 "Average Difference" C 0 0.000 0.000 0.000 18374 250 1 42 "Average Difference" CA 64 1.012 -0.143 1.009 18374 251 1 42 "Average Difference" CB 55 1.584 -0.231 1.581 18374 252 1 42 "Average Difference" HN 59 0.532 -0.163 0.511 18374 253 1 43 "Average Difference" N 59 2.717 0.403 2.710 18374 254 1 43 "Average Difference" HA 72 0.328 0.035 0.329 18374 255 1 43 "Average Difference" C 0 0.000 0.000 0.000 18374 256 1 43 "Average Difference" CA 64 1.116 -0.237 1.099 18374 257 1 43 "Average Difference" CB 55 1.454 -0.284 1.439 18374 258 1 43 "Average Difference" HN 59 0.550 -0.175 0.526 18374 259 1 44 "Average Difference" N 59 2.790 0.006 2.814 18374 260 1 44 "Average Difference" HA 72 0.333 0.054 0.331 18374 261 1 44 "Average Difference" C 0 0.000 0.000 0.000 18374 262 1 44 "Average Difference" CA 64 1.035 -0.222 1.019 18374 263 1 44 "Average Difference" CB 55 1.395 -0.272 1.380 18374 264 1 44 "Average Difference" HN 59 0.526 -0.202 0.490 18374 265 1 45 "Average Difference" N 59 2.831 0.374 2.830 18374 266 1 45 "Average Difference" HA 72 0.283 0.029 0.283 18374 267 1 45 "Average Difference" C 0 0.000 0.000 0.000 18374 268 1 45 "Average Difference" CA 64 0.988 -0.206 0.974 18374 269 1 45 "Average Difference" CB 55 1.432 -0.340 1.404 18374 270 1 45 "Average Difference" HN 59 0.536 -0.157 0.516 18374 271 1 46 "Average Difference" N 59 2.893 0.488 2.876 18374 272 1 46 "Average Difference" HA 72 0.327 0.058 0.324 18374 273 1 46 "Average Difference" C 0 0.000 0.000 0.000 18374 274 1 46 "Average Difference" CA 64 1.012 -0.322 0.967 18374 275 1 46 "Average Difference" CB 55 1.460 -0.176 1.463 18374 276 1 46 "Average Difference" HN 59 0.564 -0.175 0.541 18374 277 1 47 "Average Difference" N 59 3.022 0.217 3.040 18374 278 1 47 "Average Difference" HA 72 0.296 0.067 0.291 18374 279 1 47 "Average Difference" C 0 0.000 0.000 0.000 18374 280 1 47 "Average Difference" CA 64 1.058 -0.138 1.058 18374 281 1 47 "Average Difference" CB 55 1.376 -0.340 1.346 18374 282 1 47 "Average Difference" HN 59 0.574 -0.204 0.541 18374 283 1 48 "Average Difference" N 59 2.427 -0.049 2.447 18374 284 1 48 "Average Difference" HA 72 0.309 0.051 0.307 18374 285 1 48 "Average Difference" C 0 0.000 0.000 0.000 18374 286 1 48 "Average Difference" CA 64 1.039 -0.317 0.998 18374 287 1 48 "Average Difference" CB 55 1.540 -0.368 1.509 18374 288 1 48 "Average Difference" HN 59 0.549 -0.180 0.523 18374 289 1 49 "Average Difference" N 59 2.981 0.324 2.988 18374 290 1 49 "Average Difference" HA 72 0.311 0.077 0.303 18374 291 1 49 "Average Difference" C 0 0.000 0.000 0.000 18374 292 1 49 "Average Difference" CA 64 1.083 -0.202 1.073 18374 293 1 49 "Average Difference" CB 55 1.442 -0.289 1.425 18374 294 1 49 "Average Difference" HN 59 0.548 -0.161 0.528 18374 295 1 50 "Average Difference" N 59 2.826 0.455 2.814 18374 296 1 50 "Average Difference" HA 72 0.334 0.041 0.334 18374 297 1 50 "Average Difference" C 0 0.000 0.000 0.000 18374 298 1 50 "Average Difference" CA 64 0.968 -0.197 0.955 18374 299 1 50 "Average Difference" CB 55 1.517 -0.416 1.472 18374 300 1 50 "Average Difference" HN 59 0.550 -0.149 0.534 18374 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 18374 _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 ALA N N 2 123.688 123.688 123.931 -0.243 18374 2 1 . 1 1 2 2 ALA HA H 2 4.298 4.298 4.408 -0.110 18374 3 1 . 1 1 2 2 ALA CA C 2 52.710 52.710 52.584 0.126 18374 4 1 . 1 1 2 2 ALA CB C 2 19.235 19.235 18.990 0.245 18374 5 1 . 1 1 2 2 ALA H H 2 8.653 8.653 8.323 0.330 18374 6 1 . 1 1 3 3 MET N N 3 119.289 119.289 119.079 0.210 18374 7 1 . 1 1 3 3 MET HA H 3 4.426 4.426 4.502 -0.076 18374 8 1 . 1 1 3 3 MET CA C 3 55.430 55.430 55.632 -0.202 18374 9 1 . 1 1 3 3 MET CB C 3 32.532 32.532 32.810 -0.278 18374 10 1 . 1 1 3 3 MET H H 3 8.545 8.545 8.126 0.419 18374 11 1 . 1 1 4 4 GLU N N 4 122.149 122.149 121.293 0.856 18374 12 1 . 1 1 4 4 GLU HA H 4 4.244 4.244 4.352 -0.108 18374 13 1 . 1 1 4 4 GLU CA C 4 57.031 57.031 56.492 0.539 18374 14 1 . 1 1 4 4 GLU CB C 4 30.006 30.006 29.639 0.367 18374 15 1 . 1 1 4 4 GLU H H 4 8.440 8.440 8.387 0.053 18374 16 1 . 1 1 5 5 GLY N N 5 110.051 110.051 109.809 0.242 18374 17 1 . 1 1 5 5 GLY CA C 5 45.408 45.408 45.180 0.228 18374 18 1 . 1 1 5 5 GLY H H 5 8.500 8.500 8.133 0.367 18374 19 1 . 1 1 6 6 GLN N N 6 119.509 119.509 119.946 -0.437 18374 20 1 . 1 1 6 6 GLN HA H 6 4.286 4.286 4.241 0.045 18374 21 1 . 1 1 6 6 GLN CA C 6 56.000 56.000 56.364 -0.364 18374 22 1 . 1 1 6 6 GLN CB C 6 29.208 29.208 28.892 0.316 18374 23 1 . 1 1 6 6 GLN H H 6 8.242 8.242 8.365 -0.123 18374 24 1 . 1 1 7 7 GLN N N 7 121.049 121.049 118.517 2.532 18374 25 1 . 1 1 7 7 GLN HA H 7 4.261 4.261 4.300 -0.039 18374 26 1 . 1 1 7 7 GLN CA C 7 56.104 56.104 55.654 0.450 18374 27 1 . 1 1 7 7 GLN CB C 7 29.204 29.204 28.341 0.863 18374 28 1 . 1 1 7 7 GLN H H 7 8.534 8.534 8.194 0.340 18374 29 1 . 1 1 8 8 ASN N N 8 119.289 119.289 119.475 -0.186 18374 30 1 . 1 1 8 8 ASN HA H 8 4.645 4.645 4.703 -0.058 18374 31 1 . 1 1 8 8 ASN CA C 8 53.107 53.107 53.384 -0.277 18374 32 1 . 1 1 8 8 ASN CB C 8 38.519 38.519 38.686 -0.167 18374 33 1 . 1 1 8 8 ASN H H 8 8.486 8.486 8.291 0.195 18374 34 1 . 1 1 9 9 LEU N N 9 122.204 122.204 123.187 -0.983 18374 35 1 . 1 1 9 9 LEU HA H 9 4.291 4.291 4.457 -0.166 18374 36 1 . 1 1 9 9 LEU CA C 9 54.716 54.716 54.309 0.407 18374 37 1 . 1 1 9 9 LEU CB C 9 42.397 42.397 41.849 0.548 18374 38 1 . 1 1 9 9 LEU H H 9 8.145 8.145 7.958 0.187 18374 39 1 . 1 1 10 10 ALA N N 10 126.188 126.188 128.735 -2.547 18374 40 1 . 1 1 10 10 ALA HA H 10 4.532 4.532 4.578 -0.046 18374 41 1 . 1 1 10 10 ALA CA C 10 50.337 50.337 50.329 0.008 18374 42 1 . 1 1 10 10 ALA CB C 10 17.793 17.793 18.821 -1.028 18374 43 1 . 1 1 10 10 ALA H H 10 8.324 8.324 8.248 0.076 18374 44 1 . 1 1 11 11 PRO HA H 11 4.364 4.364 4.379 -0.015 18374 45 1 . 1 1 11 11 PRO CA C 11 63.908 63.908 63.272 0.636 18374 46 1 . 1 1 11 11 PRO CB C 11 31.869 31.869 30.925 0.944 18374 47 1 . 1 1 12 12 GLY N N 12 108.951 108.951 109.119 -0.168 18374 48 1 . 1 1 12 12 GLY CA C 12 45.221 45.221 45.050 0.171 18374 49 1 . 1 1 12 12 GLY H H 12 8.501 8.501 8.216 0.285 18374 50 1 . 1 1 13 13 ALA N N 13 123.134 123.134 125.150 -2.016 18374 51 1 . 1 1 13 13 ALA HA H 13 4.234 4.234 4.479 -0.245 18374 52 1 . 1 1 13 13 ALA CA C 13 52.109 52.109 51.767 0.342 18374 53 1 . 1 1 13 13 ALA CB C 13 19.525 19.525 18.535 0.990 18374 54 1 . 1 1 13 13 ALA H H 13 7.957 7.957 8.120 -0.163 18374 55 1 . 1 1 14 14 ARG N N 14 116.759 116.759 121.152 -4.393 18374 56 1 . 1 1 14 14 ARG HA H 14 4.119 4.119 4.539 -0.420 18374 57 1 . 1 1 14 14 ARG CA C 14 53.810 53.810 55.110 -1.300 18374 58 1 . 1 1 14 14 ARG CB C 14 32.453 32.453 33.874 -1.421 18374 59 1 . 1 1 14 14 ARG H H 14 7.990 7.990 7.941 0.049 18374 60 1 . 1 1 15 15 CYS N N 15 123.688 123.688 124.842 -1.154 18374 61 1 . 1 1 15 15 CYS HA H 15 4.017 4.017 4.726 -0.709 18374 62 1 . 1 1 15 15 CYS CA C 15 59.110 59.110 58.800 0.310 18374 63 1 . 1 1 15 15 CYS CB C 15 31.057 31.057 26.938 4.119 18374 64 1 . 1 1 15 15 CYS H H 15 7.646 7.646 8.570 -0.924 18374 65 1 . 1 1 16 16 GLY N N 16 117.749 117.749 116.231 1.518 18374 66 1 . 1 1 16 16 GLY CA C 16 46.785 46.785 46.891 -0.106 18374 67 1 . 1 1 16 16 GLY H H 16 8.916 8.916 9.037 -0.121 18374 68 1 . 1 1 17 17 VAL N N 17 122.602 122.602 120.376 2.226 18374 69 1 . 1 1 17 17 VAL HA H 17 4.014 4.014 3.943 0.071 18374 70 1 . 1 1 17 17 VAL CA C 17 65.031 65.031 64.502 0.529 18374 71 1 . 1 1 17 17 VAL CB C 17 32.840 32.840 32.027 0.813 18374 72 1 . 1 1 17 17 VAL H H 17 8.856 8.856 7.939 0.917 18374 73 1 . 1 1 18 18 CYS N N 18 115.430 115.430 115.687 -0.257 18374 74 1 . 1 1 18 18 CYS HA H 18 4.926 4.926 4.794 0.132 18374 75 1 . 1 1 18 18 CYS CA C 18 58.179 58.179 59.102 -0.923 18374 76 1 . 1 1 18 18 CYS CB C 18 31.611 31.611 30.320 1.291 18374 77 1 . 1 1 18 18 CYS H H 18 7.758 7.758 7.994 -0.236 18374 78 1 . 1 1 19 19 GLY N N 19 113.040 113.040 110.123 2.917 18374 79 1 . 1 1 19 19 GLY CA C 19 46.357 46.357 45.227 1.129 18374 80 1 . 1 1 19 19 GLY H H 19 8.029 8.029 8.684 -0.655 18374 81 1 . 1 1 20 20 ASP N N 20 123.399 123.399 120.541 2.858 18374 82 1 . 1 1 20 20 ASP HA H 20 5.007 5.007 4.877 0.130 18374 83 1 . 1 1 20 20 ASP CA C 20 53.514 53.514 53.575 -0.061 18374 84 1 . 1 1 20 20 ASP CB C 20 44.542 44.542 43.417 1.125 18374 85 1 . 1 1 20 20 ASP H H 20 8.722 8.722 7.676 1.046 18374 86 1 . 1 1 21 21 GLY N N 21 111.371 111.371 108.739 2.632 18374 87 1 . 1 1 21 21 GLY CA C 21 45.107 45.107 44.760 0.347 18374 88 1 . 1 1 21 21 GLY H H 21 8.667 8.667 8.569 0.098 18374 89 1 . 1 1 22 22 THR N N 22 118.220 118.220 117.564 0.656 18374 90 1 . 1 1 22 22 THR HA H 22 3.979 3.979 4.300 -0.321 18374 91 1 . 1 1 22 22 THR CA C 22 64.367 64.367 63.537 0.830 18374 92 1 . 1 1 22 22 THR CB C 22 67.783 67.783 69.223 -1.440 18374 93 1 . 1 1 22 22 THR H H 22 8.784 8.784 7.999 0.785 18374 94 1 . 1 1 23 23 ASP N N 23 127.251 127.251 123.730 3.521 18374 95 1 . 1 1 23 23 ASP HA H 23 4.301 4.301 4.290 0.011 18374 96 1 . 1 1 23 23 ASP CA C 23 55.427 55.427 55.161 0.266 18374 97 1 . 1 1 23 23 ASP CB C 23 39.039 39.039 40.122 -1.083 18374 98 1 . 1 1 23 23 ASP H H 23 9.376 9.376 8.856 0.520 18374 99 1 . 1 1 24 24 VAL N N 24 111.371 111.371 116.558 -5.187 18374 100 1 . 1 1 24 24 VAL HA H 24 3.560 3.560 4.301 -0.741 18374 101 1 . 1 1 24 24 VAL CA C 24 61.716 61.716 60.993 0.723 18374 102 1 . 1 1 24 24 VAL CB C 24 32.292 32.292 33.136 -0.844 18374 103 1 . 1 1 24 24 VAL H H 24 7.402 7.402 7.836 -0.434 18374 104 1 . 1 1 25 25 LEU N N 25 123.908 123.908 127.348 -3.440 18374 105 1 . 1 1 25 25 LEU HA H 25 4.339 4.339 4.477 -0.138 18374 106 1 . 1 1 25 25 LEU CA C 25 52.522 52.522 53.960 -1.438 18374 107 1 . 1 1 25 25 LEU CB C 25 42.442 42.442 43.050 -0.608 18374 108 1 . 1 1 25 25 LEU H H 25 8.328 8.328 8.573 -0.245 18374 109 1 . 1 1 26 26 ARG N N 26 116.626 116.626 119.985 -3.359 18374 110 1 . 1 1 26 26 ARG HA H 26 5.101 5.101 5.293 -0.192 18374 111 1 . 1 1 26 26 ARG CA C 26 52.655 52.655 53.821 -1.166 18374 112 1 . 1 1 26 26 ARG CB C 26 31.668 31.668 31.696 -0.028 18374 113 1 . 1 1 26 26 ARG H H 26 7.877 7.877 8.088 -0.211 18374 114 1 . 1 1 27 27 CYS N N 27 126.328 126.328 123.707 2.621 18374 115 1 . 1 1 27 27 CYS HA H 27 4.315 4.315 4.860 -0.545 18374 116 1 . 1 1 27 27 CYS CA C 27 60.398 60.398 58.933 1.465 18374 117 1 . 1 1 27 27 CYS CB C 27 30.667 30.667 28.602 2.065 18374 118 1 . 1 1 27 27 CYS H H 27 9.182 9.182 8.503 0.679 18374 119 1 . 1 1 28 28 THR N N 28 122.470 122.470 121.462 1.008 18374 120 1 . 1 1 28 28 THR HA H 28 4.166 4.166 4.379 -0.213 18374 121 1 . 1 1 28 28 THR CA C 28 64.686 64.686 63.946 0.740 18374 122 1 . 1 1 28 28 THR CB C 28 69.846 69.846 69.091 0.755 18374 123 1 . 1 1 28 28 THR H H 28 8.956 8.956 9.029 -0.073 18374 124 1 . 1 1 29 29 HIS N N 29 123.908 123.908 119.122 4.786 18374 125 1 . 1 1 29 29 HIS HA H 29 4.909 4.909 4.653 0.256 18374 126 1 . 1 1 29 29 HIS CA C 29 58.104 58.104 56.988 1.116 18374 127 1 . 1 1 29 29 HIS CB C 29 30.545 30.545 31.223 -0.678 18374 128 1 . 1 1 29 29 HIS H H 29 9.464 9.464 8.383 1.081 18374 129 1 . 1 1 30 30 CYS N N 30 119.946 119.946 115.342 4.604 18374 130 1 . 1 1 30 30 CYS HA H 30 4.811 4.811 4.797 0.014 18374 131 1 . 1 1 30 30 CYS CA C 30 59.090 59.090 56.587 2.503 18374 132 1 . 1 1 30 30 CYS CB C 30 32.898 32.898 30.752 2.146 18374 133 1 . 1 1 30 30 CYS H H 30 8.710 8.710 7.763 0.947 18374 134 1 . 1 1 31 31 ALA N N 31 120.477 120.477 124.582 -4.105 18374 135 1 . 1 1 31 31 ALA HA H 31 4.284 4.284 4.512 -0.228 18374 136 1 . 1 1 31 31 ALA CA C 31 54.490 54.490 51.830 2.660 18374 137 1 . 1 1 31 31 ALA CB C 31 17.418 17.418 19.003 -1.585 18374 138 1 . 1 1 31 31 ALA H H 31 7.626 7.626 8.398 -0.772 18374 139 1 . 1 1 32 32 ALA N N 32 125.524 125.524 125.724 -0.200 18374 140 1 . 1 1 32 32 ALA HA H 32 4.246 4.246 4.555 -0.309 18374 141 1 . 1 1 32 32 ALA CA C 32 53.840 53.840 52.510 1.330 18374 142 1 . 1 1 32 32 ALA CB C 32 20.334 20.334 21.817 -1.483 18374 143 1 . 1 1 32 32 ALA H H 32 9.152 9.152 8.325 0.827 18374 144 1 . 1 1 33 33 ALA N N 33 123.257 123.257 126.125 -2.868 18374 145 1 . 1 1 33 33 ALA HA H 33 5.410 5.410 5.660 -0.250 18374 146 1 . 1 1 33 33 ALA CA C 33 49.806 49.806 50.289 -0.483 18374 147 1 . 1 1 33 33 ALA CB C 33 19.628 19.628 20.308 -0.680 18374 148 1 . 1 1 33 33 ALA H H 33 8.490 8.490 8.649 -0.159 18374 149 1 . 1 1 34 34 PHE N N 34 118.220 118.220 120.147 -1.927 18374 150 1 . 1 1 34 34 PHE HA H 34 5.074 5.074 4.811 0.263 18374 151 1 . 1 1 34 34 PHE CA C 34 55.762 55.762 56.352 -0.590 18374 152 1 . 1 1 34 34 PHE CB C 34 39.222 39.222 40.930 -1.708 18374 153 1 . 1 1 34 34 PHE H H 34 8.948 8.948 8.539 0.409 18374 154 1 . 1 1 35 35 HIS N N 35 116.759 116.759 120.691 -3.932 18374 155 1 . 1 1 35 35 HIS HA H 35 4.886 4.886 4.872 0.014 18374 156 1 . 1 1 35 35 HIS CA C 35 56.138 56.138 54.725 1.413 18374 157 1 . 1 1 35 35 HIS CB C 35 32.023 32.023 31.688 0.335 18374 158 1 . 1 1 35 35 HIS H H 35 7.932 7.932 8.140 -0.208 18374 159 1 . 1 1 36 36 TRP N N 36 127.649 127.649 126.785 0.864 18374 160 1 . 1 1 36 36 TRP HA H 36 4.438 4.438 4.603 -0.165 18374 161 1 . 1 1 36 36 TRP CA C 36 62.373 62.373 62.150 0.223 18374 162 1 . 1 1 36 36 TRP CB C 36 29.324 29.324 29.888 -0.564 18374 163 1 . 1 1 36 36 TRP H H 36 9.421 9.421 9.113 0.308 18374 164 1 . 1 1 37 37 ARG N N 37 113.040 113.040 116.439 -3.399 18374 165 1 . 1 1 37 37 ARG HA H 37 4.404 4.404 4.370 0.034 18374 166 1 . 1 1 37 37 ARG CA C 37 57.473 57.473 58.722 -1.249 18374 167 1 . 1 1 37 37 ARG CB C 37 29.167 29.167 29.715 -0.548 18374 168 1 . 1 1 37 37 ARG H H 37 9.075 9.075 8.570 0.505 18374 169 1 . 1 1 38 38 CYS N N 38 116.493 116.493 115.238 1.255 18374 170 1 . 1 1 38 38 CYS HA H 38 4.218 4.218 4.511 -0.293 18374 171 1 . 1 1 38 38 CYS CA C 38 62.459 62.459 60.287 2.172 18374 172 1 . 1 1 38 38 CYS CB C 38 29.676 29.676 26.670 3.006 18374 173 1 . 1 1 38 38 CYS H H 38 7.169 7.169 8.030 -0.861 18374 174 1 . 1 1 39 39 HIS N N 39 118.220 118.220 116.728 1.492 18374 175 1 . 1 1 39 39 HIS HA H 39 4.223 4.223 4.368 -0.145 18374 176 1 . 1 1 39 39 HIS CA C 39 58.476 58.476 57.393 1.083 18374 177 1 . 1 1 39 39 HIS CB C 39 35.340 35.340 31.583 3.758 18374 178 1 . 1 1 39 39 HIS H H 39 7.562 7.562 7.648 -0.086 18374 179 1 . 1 1 40 40 PHE N N 40 117.157 117.157 117.651 -0.494 18374 180 1 . 1 1 40 40 PHE HA H 40 4.783 4.783 4.753 0.030 18374 181 1 . 1 1 40 40 PHE CA C 40 52.659 52.659 55.212 -2.553 18374 182 1 . 1 1 40 40 PHE CB C 40 38.807 38.807 39.398 -0.591 18374 183 1 . 1 1 40 40 PHE H H 40 8.282 8.282 8.274 0.008 18374 184 1 . 1 1 41 41 PRO HA H 41 4.487 4.487 4.524 -0.037 18374 185 1 . 1 1 41 41 PRO CA C 41 63.219 63.219 62.938 0.281 18374 186 1 . 1 1 41 41 PRO CB C 41 32.215 32.215 32.193 0.022 18374 187 1 . 1 1 42 42 ALA N N 42 123.001 123.001 123.103 -0.102 18374 188 1 . 1 1 42 42 ALA HA H 42 4.358 4.358 4.245 0.113 18374 189 1 . 1 1 42 42 ALA CA C 42 53.013 53.013 53.689 -0.676 18374 190 1 . 1 1 42 42 ALA CB C 42 18.641 18.641 18.725 -0.084 18374 191 1 . 1 1 42 42 ALA H H 42 8.635 8.635 8.456 0.179 18374 192 1 . 1 1 43 43 GLY N N 43 108.291 108.291 105.478 2.813 18374 193 1 . 1 1 43 43 GLY CA C 43 45.466 45.466 45.052 0.414 18374 194 1 . 1 1 43 43 GLY H H 43 8.529 8.529 8.177 0.352 18374 195 1 . 1 1 44 44 THR N N 44 113.961 113.961 118.438 -4.477 18374 196 1 . 1 1 44 44 THR HA H 44 4.424 4.424 4.494 -0.070 18374 197 1 . 1 1 44 44 THR CA C 44 62.074 62.074 62.629 -0.555 18374 198 1 . 1 1 44 44 THR CB C 44 70.259 70.259 69.801 0.458 18374 199 1 . 1 1 44 44 THR H H 44 7.971 7.971 7.857 0.114 18374 200 1 . 1 1 45 45 SER N N 45 120.467 120.467 120.743 -0.276 18374 201 1 . 1 1 45 45 SER HA H 45 4.280 4.280 4.613 -0.333 18374 202 1 . 1 1 45 45 SER CA C 45 58.274 58.274 57.799 0.475 18374 203 1 . 1 1 45 45 SER CB C 45 63.906 63.906 64.082 -0.176 18374 204 1 . 1 1 45 45 SER H H 45 8.644 8.644 8.611 0.033 18374 205 1 . 1 1 46 46 ARG N N 46 124.196 124.196 125.432 -1.236 18374 206 1 . 1 1 46 46 ARG HA H 46 3.920 3.920 3.304 0.616 18374 207 1 . 1 1 46 46 ARG CA C 46 53.152 53.152 53.524 -0.372 18374 208 1 . 1 1 46 46 ARG CB C 46 29.902 29.902 29.380 0.522 18374 209 1 . 1 1 46 46 ARG H H 46 8.197 8.197 8.232 -0.035 18374 210 1 . 1 1 47 47 PRO HA H 47 4.298 4.298 4.402 -0.104 18374 211 1 . 1 1 47 47 PRO CA C 47 62.818 62.818 62.331 0.487 18374 212 1 . 1 1 47 47 PRO CB C 47 32.186 32.186 32.498 -0.312 18374 213 1 . 1 1 48 48 GLY N N 48 108.071 108.071 109.059 -0.988 18374 214 1 . 1 1 48 48 GLY CA C 48 45.679 45.679 45.661 0.018 18374 215 1 . 1 1 48 48 GLY H H 48 8.492 8.492 8.541 -0.049 18374 216 1 . 1 1 49 49 THR N N 49 111.151 111.151 113.049 -1.898 18374 217 1 . 1 1 49 49 THR HA H 49 4.377 4.377 4.393 -0.016 18374 218 1 . 1 1 49 49 THR CA C 49 60.690 60.690 61.185 -0.495 18374 219 1 . 1 1 49 49 THR CB C 49 70.332 70.332 69.057 1.275 18374 220 1 . 1 1 49 49 THR H H 49 7.669 7.669 7.603 0.066 18374 221 1 . 1 1 50 50 GLY N N 50 110.491 110.491 110.621 -0.130 18374 222 1 . 1 1 50 50 GLY CA C 50 46.181 46.181 44.664 1.517 18374 223 1 . 1 1 50 50 GLY H H 50 8.459 8.459 7.809 0.650 18374 224 1 . 1 1 51 51 LEU N N 51 121.407 121.407 122.360 -0.953 18374 225 1 . 1 1 51 51 LEU HA H 51 4.282 4.282 4.368 -0.086 18374 226 1 . 1 1 51 51 LEU CA C 51 56.368 56.368 55.027 1.341 18374 227 1 . 1 1 51 51 LEU CB C 51 42.819 42.819 42.393 0.426 18374 228 1 . 1 1 51 51 LEU H H 51 8.248 8.248 8.241 0.007 18374 229 1 . 1 1 52 52 ARG N N 52 124.997 124.997 125.242 -0.245 18374 230 1 . 1 1 52 52 ARG HA H 52 5.847 5.847 4.845 1.002 18374 231 1 . 1 1 52 52 ARG CA C 52 54.131 54.131 54.801 -0.670 18374 232 1 . 1 1 52 52 ARG CB C 52 34.985 34.985 32.916 2.069 18374 233 1 . 1 1 52 52 ARG H H 52 8.639 8.639 8.455 0.184 18374 234 1 . 1 1 53 53 CYS N N 53 120.743 120.743 121.732 -0.989 18374 235 1 . 1 1 53 53 CYS HA H 53 3.493 3.493 4.408 -0.915 18374 236 1 . 1 1 53 53 CYS CA C 53 57.204 57.204 57.158 0.046 18374 237 1 . 1 1 53 53 CYS CB C 53 30.779 30.779 29.665 1.114 18374 238 1 . 1 1 53 53 CYS H H 53 8.933 8.933 8.579 0.354 18374 239 1 . 1 1 54 54 ARG N N 54 121.407 121.407 120.452 0.955 18374 240 1 . 1 1 54 54 ARG HA H 54 3.810 3.810 4.016 -0.206 18374 241 1 . 1 1 54 54 ARG CA C 54 59.387 59.387 59.511 -0.124 18374 242 1 . 1 1 54 54 ARG CB C 54 28.883 28.883 29.751 -0.868 18374 243 1 . 1 1 54 54 ARG H H 54 10.380 10.380 8.626 1.754 18374 244 1 . 1 1 55 55 SER N N 55 117.300 117.300 114.660 2.640 18374 245 1 . 1 1 55 55 SER HA H 55 4.258 4.258 4.315 -0.057 18374 246 1 . 1 1 55 55 SER CA C 55 61.216 61.216 61.141 0.075 18374 247 1 . 1 1 55 55 SER CB C 55 62.830 62.830 63.090 -0.260 18374 248 1 . 1 1 55 55 SER H H 55 8.228 8.228 8.122 0.106 18374 249 1 . 1 1 56 56 CYS N N 56 122.602 122.602 119.691 2.911 18374 250 1 . 1 1 56 56 CYS HA H 56 4.186 4.186 4.365 -0.179 18374 251 1 . 1 1 56 56 CYS CA C 56 61.242 61.242 60.895 0.347 18374 252 1 . 1 1 56 56 CYS CB C 56 29.916 29.916 26.455 3.461 18374 253 1 . 1 1 56 56 CYS H H 56 7.999 7.999 7.791 0.208 18374 254 1 . 1 1 57 57 SER N N 57 115.430 115.430 114.102 1.328 18374 255 1 . 1 1 57 57 SER HA H 57 4.266 4.266 4.476 -0.210 18374 256 1 . 1 1 57 57 SER CA C 57 59.992 59.992 59.439 0.553 18374 257 1 . 1 1 57 57 SER CB C 57 63.492 63.492 63.203 0.289 18374 258 1 . 1 1 57 57 SER H H 57 7.938 7.938 8.122 -0.184 18374 259 1 . 1 1 58 58 GLY N N 58 109.391 109.391 109.914 -0.523 18374 260 1 . 1 1 58 58 GLY CA C 58 45.426 45.426 44.947 0.479 18374 261 1 . 1 1 58 58 GLY H H 58 8.013 8.013 7.525 0.488 18374 262 1 . 1 1 59 59 ASP N N 59 120.345 120.345 121.954 -1.609 18374 263 1 . 1 1 59 59 ASP HA H 59 4.591 4.591 4.705 -0.114 18374 264 1 . 1 1 59 59 ASP CA C 59 54.292 54.292 53.710 0.582 18374 265 1 . 1 1 59 59 ASP CB C 59 41.083 41.083 41.595 -0.512 18374 266 1 . 1 1 59 59 ASP H H 59 8.130 8.130 8.208 -0.078 18374 267 1 . 1 1 60 60 VAL N N 60 119.548 119.548 122.406 -2.858 18374 268 1 . 1 1 60 60 VAL HA H 60 4.158 4.158 4.316 -0.158 18374 269 1 . 1 1 60 60 VAL CA C 60 61.915 61.915 61.750 0.165 18374 270 1 . 1 1 60 60 VAL CB C 60 32.515 32.515 32.207 0.308 18374 271 1 . 1 1 60 60 VAL H H 60 8.072 8.072 8.108 -0.036 18374 272 1 . 1 1 61 61 THR N N 61 121.407 121.407 122.155 -0.748 18374 273 1 . 1 1 61 61 THR HA H 61 4.509 4.509 4.615 -0.106 18374 274 1 . 1 1 61 61 THR CA C 61 59.848 59.848 60.132 -0.284 18374 275 1 . 1 1 61 61 THR CB C 61 69.602 69.602 69.053 0.549 18374 276 1 . 1 1 61 61 THR H H 61 8.335 8.335 8.153 0.182 18374 277 1 . 1 1 62 62 PRO HA H 62 4.362 4.362 4.471 -0.109 18374 278 1 . 1 1 62 62 PRO CA C 62 62.903 62.903 62.770 0.133 18374 279 1 . 1 1 62 62 PRO CB C 62 31.949 31.949 32.424 -0.475 18374 280 1 . 1 1 63 63 ALA N N 63 125.923 125.923 126.893 -0.970 18374 281 1 . 1 1 63 63 ALA HA H 63 4.538 4.538 4.499 0.039 18374 282 1 . 1 1 63 63 ALA CA C 63 50.268 50.268 50.434 -0.166 18374 283 1 . 1 1 63 63 ALA CB C 63 17.700 17.700 19.056 -1.356 18374 284 1 . 1 1 63 63 ALA H H 63 8.368 8.368 8.280 0.088 18374 285 1 . 1 1 64 64 PRO HA H 64 4.410 4.410 4.436 -0.026 18374 286 1 . 1 1 64 64 PRO CA C 64 62.897 62.897 62.972 -0.075 18374 287 1 . 1 1 64 64 PRO CB C 64 31.924 31.924 30.802 1.122 18374 288 1 . 1 1 65 65 VAL N N 65 120.526 120.526 121.434 -0.908 18374 289 1 . 1 1 65 65 VAL HA H 65 4.073 4.073 4.256 -0.183 18374 290 1 . 1 1 65 65 VAL CA C 65 62.326 62.326 61.930 0.396 18374 291 1 . 1 1 65 65 VAL CB C 65 32.080 32.080 32.631 -0.551 18374 292 1 . 1 1 65 65 VAL H H 65 8.270 8.270 8.084 0.186 18374 stop_ save_