data_19203 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19203 _Entry.PDB_ID 2M7S 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 19203 _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 HA H 2 4.533 4.533 4.582 -0.049 19203 2 1 1 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.693 -3.808 19203 3 1 1 . 1 1 2 2 ALA CB C 2 15.622 15.622 18.840 -3.217 19203 4 1 1 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.581 0.245 19203 5 1 1 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.637 -4.328 19203 6 1 1 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.553 -4.761 19203 7 1 1 . 1 1 4 4 ARG N N 4 121.678 121.678 118.085 3.593 19203 8 1 1 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.887 -0.666 19203 9 1 1 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.383 -1.808 19203 10 1 1 . 1 1 4 4 ARG CB C 4 28.467 28.467 32.517 -4.050 19203 11 1 1 . 1 1 4 4 ARG H H 4 8.483 8.483 8.840 -0.357 19203 12 1 1 . 1 1 5 5 GLY N N 5 109.928 109.928 108.665 1.263 19203 13 1 1 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.719 -2.051 19203 14 1 1 . 1 1 5 5 GLY H H 5 8.344 8.344 8.362 -0.018 19203 15 1 1 . 1 1 6 6 ARG N N 6 120.896 120.896 120.415 0.481 19203 16 1 1 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.782 -0.640 19203 17 1 1 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.675 -2.155 19203 18 1 1 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.838 -2.620 19203 19 1 1 . 1 1 6 6 ARG H H 6 8.144 8.144 8.298 -0.154 19203 20 1 1 . 1 1 7 7 TYR N N 7 121.118 121.118 125.095 -3.977 19203 21 1 1 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.633 -0.073 19203 22 1 1 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.865 -3.060 19203 23 1 1 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.734 -4.230 19203 24 1 1 . 1 1 7 7 TYR H H 7 8.218 8.218 8.539 -0.321 19203 25 1 1 . 1 1 8 8 GLY N N 8 110.613 110.613 111.465 -0.852 19203 26 1 1 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.471 -1.566 19203 27 1 1 . 1 1 8 8 GLY H H 8 8.021 8.021 7.667 0.354 19203 28 1 1 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.621 -0.054 19203 29 1 1 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.319 -2.519 19203 30 1 1 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.546 -3.185 19203 31 1 1 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.522 -0.158 19203 32 1 1 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.034 -2.620 19203 33 1 1 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.869 -1.402 19203 34 1 1 . 1 1 11 11 SER N N 11 116.042 116.042 120.268 -4.226 19203 35 1 1 . 1 1 11 11 SER HA H 11 4.394 4.394 4.728 -0.334 19203 36 1 1 . 1 1 11 11 SER CA C 11 55.641 55.641 57.380 -1.738 19203 37 1 1 . 1 1 11 11 SER CB C 11 61.349 61.349 64.742 -3.393 19203 38 1 1 . 1 1 11 11 SER H H 11 8.263 8.263 7.928 0.335 19203 39 1 1 . 1 1 12 12 ARG N N 12 123.432 123.432 121.911 1.521 19203 40 1 1 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.207 0.082 19203 41 1 1 . 1 1 12 12 ARG CA C 12 53.311 53.311 56.717 -3.406 19203 42 1 1 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.719 -1.993 19203 43 1 1 . 1 1 12 12 ARG H H 12 8.317 8.317 8.490 -0.173 19203 44 1 1 . 1 1 13 13 ARG N N 13 119.550 119.550 120.863 -1.313 19203 45 1 1 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.607 -2.024 19203 46 1 1 . 1 1 13 13 ARG H H 13 7.967 7.967 8.479 -0.511 19203 47 1 1 . 1 1 14 14 SER N N 14 117.366 117.366 119.559 -2.193 19203 48 1 1 . 1 1 14 14 SER HA H 14 4.588 4.588 4.524 0.064 19203 49 1 1 . 1 1 14 14 SER CA C 14 54.505 54.505 57.939 -3.434 19203 50 1 1 . 1 1 14 14 SER CB C 14 63.906 63.906 63.939 -0.033 19203 51 1 1 . 1 1 14 14 SER H H 14 8.660 8.660 8.466 0.194 19203 52 1 1 . 1 1 15 15 GLU N N 15 116.212 116.212 120.920 -4.708 19203 53 1 1 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.180 0.132 19203 54 1 1 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.889 -3.942 19203 55 1 1 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.543 -0.436 19203 56 1 1 . 1 1 15 15 GLU H H 15 8.472 8.472 8.925 -0.453 19203 57 1 1 . 1 1 16 16 ASN N N 16 120.295 120.295 115.015 5.280 19203 58 1 1 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.906 0.091 19203 59 1 1 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.652 -2.721 19203 60 1 1 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.193 -5.882 19203 61 1 1 . 1 1 16 16 ASN H H 16 8.326 8.326 8.232 0.094 19203 62 1 1 . 1 1 17 17 ARG N N 17 123.774 123.774 119.987 3.787 19203 63 1 1 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.807 0.462 19203 64 1 1 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.072 -2.232 19203 65 1 1 . 1 1 17 17 ARG CB C 17 31.422 31.422 34.393 -2.971 19203 66 1 1 . 1 1 17 17 ARG H H 17 7.726 7.726 7.738 -0.012 19203 67 1 1 . 1 1 18 18 VAL N N 18 117.634 117.634 118.459 -0.825 19203 68 1 1 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.051 -0.009 19203 69 1 1 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.588 -3.498 19203 70 1 1 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.261 -3.515 19203 71 1 1 . 1 1 18 18 VAL H H 18 9.197 9.197 8.630 0.567 19203 72 1 1 . 1 1 19 19 VAL N N 19 119.956 119.956 118.960 0.996 19203 73 1 1 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.794 0.131 19203 74 1 1 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.650 -2.879 19203 75 1 1 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.559 -3.985 19203 76 1 1 . 1 1 19 19 VAL H H 19 9.111 9.111 8.668 0.443 19203 77 1 1 . 1 1 20 20 VAL N N 20 125.976 125.976 123.752 2.224 19203 78 1 1 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.680 0.689 19203 79 1 1 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.797 -4.282 19203 80 1 1 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.763 -2.716 19203 81 1 1 . 1 1 20 20 VAL H H 20 8.678 8.678 9.074 -0.396 19203 82 1 1 . 1 1 21 21 SER N N 21 117.905 117.905 118.980 -1.075 19203 83 1 1 . 1 1 21 21 SER HA H 21 5.075 5.075 5.120 -0.045 19203 84 1 1 . 1 1 21 21 SER CA C 21 54.228 54.228 56.525 -2.297 19203 85 1 1 . 1 1 21 21 SER CB C 21 63.312 63.312 66.196 -2.884 19203 86 1 1 . 1 1 21 21 SER H H 21 8.917 8.917 8.825 0.092 19203 87 1 1 . 1 1 22 22 GLY N N 22 108.144 108.144 110.618 -2.474 19203 88 1 1 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.899 -2.434 19203 89 1 1 . 1 1 22 22 GLY H H 22 8.079 8.079 8.807 -0.728 19203 90 1 1 . 1 1 23 23 LEU N N 23 119.379 119.379 121.881 -2.502 19203 91 1 1 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.077 -0.654 19203 92 1 1 . 1 1 23 23 LEU CA C 23 50.873 50.873 54.081 -3.208 19203 93 1 1 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.000 -2.922 19203 94 1 1 . 1 1 23 23 LEU H H 23 8.485 8.485 7.537 0.948 19203 95 1 1 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.917 -3.018 19203 96 1 1 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.377 -0.119 19203 97 1 1 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.644 -1.885 19203 98 1 1 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.982 -2.753 19203 99 1 1 . 1 1 26 26 SER N N 26 106.249 106.249 114.310 -8.061 19203 100 1 1 . 1 1 26 26 SER HA H 26 4.319 4.319 4.741 -0.422 19203 101 1 1 . 1 1 26 26 SER CA C 26 55.722 55.722 58.022 -2.300 19203 102 1 1 . 1 1 26 26 SER CB C 26 61.171 61.171 63.833 -2.662 19203 103 1 1 . 1 1 26 26 SER H H 26 7.309 7.309 7.709 -0.400 19203 104 1 1 . 1 1 27 27 GLY N N 27 107.883 107.883 109.590 -1.707 19203 105 1 1 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.036 0.168 19203 106 1 1 . 1 1 27 27 GLY H H 27 8.075 8.075 7.782 0.293 19203 107 1 1 . 1 1 28 28 SER N N 28 123.917 123.917 113.339 10.578 19203 108 1 1 . 1 1 28 28 SER HA H 28 4.903 4.903 4.631 0.272 19203 109 1 1 . 1 1 28 28 SER CA C 28 53.260 53.260 56.907 -3.647 19203 110 1 1 . 1 1 28 28 SER CB C 28 64.609 64.609 65.137 -0.528 19203 111 1 1 . 1 1 28 28 SER H H 28 9.021 9.021 8.556 0.465 19203 112 1 1 . 1 1 29 29 TRP N N 29 120.079 120.079 119.782 0.297 19203 113 1 1 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.594 -0.570 19203 114 1 1 . 1 1 29 29 TRP CA C 29 58.064 58.064 58.745 -0.681 19203 115 1 1 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.689 -3.467 19203 116 1 1 . 1 1 29 29 TRP H H 29 9.042 9.042 8.351 0.691 19203 117 1 1 . 1 1 30 30 GLN N N 30 123.085 123.085 121.309 1.776 19203 118 1 1 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.928 -0.734 19203 119 1 1 . 1 1 30 30 GLN CA C 30 56.966 56.966 58.712 -1.746 19203 120 1 1 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.651 -2.967 19203 121 1 1 . 1 1 30 30 GLN H H 30 7.587 7.587 6.877 0.710 19203 122 1 1 . 1 1 31 31 ASP N N 31 120.127 120.127 120.471 -0.344 19203 123 1 1 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.274 -0.124 19203 124 1 1 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.429 -3.094 19203 125 1 1 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.426 -1.154 19203 126 1 1 . 1 1 31 31 ASP H H 31 7.697 7.697 7.531 0.166 19203 127 1 1 . 1 1 32 32 LEU N N 32 122.010 122.010 121.744 0.266 19203 128 1 1 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.332 -0.127 19203 129 1 1 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.335 -2.796 19203 130 1 1 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.647 -2.646 19203 131 1 1 . 1 1 32 32 LEU H H 32 8.260 8.260 7.935 0.325 19203 132 1 1 . 1 1 33 33 LYS N N 33 120.333 120.333 119.195 1.138 19203 133 1 1 . 1 1 33 33 LYS HA H 33 3.512 3.512 3.961 -0.449 19203 134 1 1 . 1 1 33 33 LYS CA C 33 58.485 58.485 60.060 -1.575 19203 135 1 1 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.349 -2.710 19203 136 1 1 . 1 1 33 33 LYS H H 33 8.506 8.506 8.310 0.196 19203 137 1 1 . 1 1 34 34 ASP N N 34 117.666 117.666 118.448 -0.782 19203 138 1 1 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.409 -0.126 19203 139 1 1 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.987 -2.105 19203 140 1 1 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.203 -3.663 19203 141 1 1 . 1 1 34 34 ASP H H 34 8.353 8.353 7.928 0.425 19203 142 1 1 . 1 1 35 35 HIS N N 35 119.654 119.654 118.889 0.765 19203 143 1 1 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.447 -0.341 19203 144 1 1 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.206 -0.882 19203 145 1 1 . 1 1 35 35 HIS CB C 35 30.265 30.265 30.658 -0.393 19203 146 1 1 . 1 1 35 35 HIS H H 35 7.943 7.943 7.962 -0.019 19203 147 1 1 . 1 1 36 36 MET N N 36 111.628 111.628 117.811 -6.183 19203 148 1 1 . 1 1 36 36 MET HA H 36 4.572 4.572 4.241 0.331 19203 149 1 1 . 1 1 36 36 MET CA C 36 52.172 52.172 57.488 -5.316 19203 150 1 1 . 1 1 36 36 MET CB C 36 31.060 31.060 33.008 -1.948 19203 151 1 1 . 1 1 36 36 MET H H 36 7.812 7.812 8.386 -0.574 19203 152 1 1 . 1 1 37 37 ARG N N 37 119.419 119.419 119.059 0.360 19203 153 1 1 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.097 0.536 19203 154 1 1 . 1 1 37 37 ARG CA C 37 55.407 55.407 57.078 -1.671 19203 155 1 1 . 1 1 37 37 ARG CB C 37 27.001 27.001 27.793 -0.792 19203 156 1 1 . 1 1 37 37 ARG H H 37 7.929 7.929 8.104 -0.175 19203 157 1 1 . 1 1 38 38 GLU N N 38 118.450 118.450 118.369 0.081 19203 158 1 1 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.438 -0.451 19203 159 1 1 . 1 1 38 38 GLU CA C 38 55.587 55.587 56.468 -0.881 19203 160 1 1 . 1 1 38 38 GLU CB C 38 27.457 27.457 30.744 -3.287 19203 161 1 1 . 1 1 38 38 GLU H H 38 7.524 7.524 8.024 -0.500 19203 162 1 1 . 1 1 39 39 ALA N N 39 118.496 118.496 119.112 -0.616 19203 163 1 1 . 1 1 39 39 ALA HA H 39 3.979 3.979 5.108 -1.129 19203 164 1 1 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.208 -1.982 19203 165 1 1 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.961 -2.304 19203 166 1 1 . 1 1 39 39 ALA H H 39 7.958 7.958 7.691 0.267 19203 167 1 1 . 1 1 40 40 GLY N N 40 101.970 101.970 107.238 -5.268 19203 168 1 1 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.872 -3.352 19203 169 1 1 . 1 1 40 40 GLY H H 40 7.172 7.172 7.982 -0.810 19203 170 1 1 . 1 1 41 41 ASP N N 41 116.412 116.412 122.327 -5.915 19203 171 1 1 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.819 -0.368 19203 172 1 1 . 1 1 41 41 ASP CA C 41 53.248 53.248 52.724 0.524 19203 173 1 1 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.648 -5.263 19203 174 1 1 . 1 1 41 41 ASP H H 41 7.917 7.917 8.053 -0.136 19203 175 1 1 . 1 1 42 42 VAL N N 42 128.043 128.043 124.568 3.475 19203 176 1 1 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.044 -0.018 19203 177 1 1 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.719 -1.896 19203 178 1 1 . 1 1 42 42 VAL CB C 42 31.944 31.944 31.311 0.634 19203 179 1 1 . 1 1 42 42 VAL H H 42 8.366 8.366 8.379 -0.013 19203 180 1 1 . 1 1 43 43 CYS N N 43 122.686 122.686 124.967 -2.281 19203 181 1 1 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.337 0.442 19203 182 1 1 . 1 1 43 43 CYS CA C 43 54.138 54.138 59.729 -5.591 19203 183 1 1 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.034 -1.379 19203 184 1 1 . 1 1 43 43 CYS H H 43 8.800 8.800 9.029 -0.229 19203 185 1 1 . 1 1 44 44 TYR N N 44 122.582 122.582 119.855 2.727 19203 186 1 1 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.626 -0.190 19203 187 1 1 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.239 -1.451 19203 188 1 1 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.728 -1.925 19203 189 1 1 . 1 1 44 44 TYR H H 44 7.420 7.420 7.759 -0.339 19203 190 1 1 . 1 1 45 45 ALA N N 45 127.108 127.108 128.902 -1.794 19203 191 1 1 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.501 0.440 19203 192 1 1 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.840 -2.805 19203 193 1 1 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.969 -1.730 19203 194 1 1 . 1 1 45 45 ALA H H 45 7.107 7.107 7.693 -0.586 19203 195 1 1 . 1 1 46 46 ASP N N 46 117.612 117.612 120.742 -3.130 19203 196 1 1 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.832 -0.209 19203 197 1 1 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.099 -2.580 19203 198 1 1 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.744 -2.951 19203 199 1 1 . 1 1 46 46 ASP H H 46 8.463 8.463 8.494 -0.031 19203 200 1 1 . 1 1 47 47 VAL N N 47 116.535 116.535 116.520 0.015 19203 201 1 1 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.042 0.204 19203 202 1 1 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.404 -2.347 19203 203 1 1 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.194 -1.293 19203 204 1 1 . 1 1 47 47 VAL H H 47 8.096 8.096 7.961 0.135 19203 205 1 1 . 1 1 48 48 TYR N N 48 124.428 124.428 119.262 5.166 19203 206 1 1 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.857 0.086 19203 207 1 1 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.774 -3.506 19203 208 1 1 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.077 -2.892 19203 209 1 1 . 1 1 48 48 TYR H H 48 8.673 8.673 7.619 1.054 19203 210 1 1 . 1 1 49 49 ARG N N 49 117.750 117.750 119.913 -2.163 19203 211 1 1 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.059 0.130 19203 212 1 1 . 1 1 49 49 ARG CA C 49 55.114 55.114 59.068 -3.954 19203 213 1 1 . 1 1 49 49 ARG CB C 49 26.710 26.710 30.675 -3.966 19203 214 1 1 . 1 1 49 49 ARG H H 49 8.520 8.520 8.649 -0.129 19203 215 1 1 . 1 1 50 50 ASP N N 50 117.696 117.696 111.865 5.831 19203 216 1 1 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.623 -0.043 19203 217 1 1 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.379 -3.203 19203 218 1 1 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.290 -5.385 19203 219 1 1 . 1 1 50 50 ASP H H 50 7.960 7.960 7.669 0.291 19203 220 1 1 . 1 1 51 51 GLY N N 51 108.367 108.367 105.714 2.653 19203 221 1 1 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.643 -3.080 19203 222 1 1 . 1 1 51 51 GLY H H 51 8.053 8.053 8.511 -0.458 19203 223 1 1 . 1 1 52 52 THR N N 52 109.991 109.991 113.843 -3.852 19203 224 1 1 . 1 1 52 52 THR HA H 52 5.497 5.497 5.178 0.319 19203 225 1 1 . 1 1 52 52 THR CA C 52 57.040 57.040 60.390 -3.350 19203 226 1 1 . 1 1 52 52 THR CB C 52 69.847 69.847 72.672 -2.825 19203 227 1 1 . 1 1 52 52 THR H H 52 7.637 7.637 7.733 -0.096 19203 228 1 1 . 1 1 53 53 GLY N N 53 105.727 105.727 106.430 -0.703 19203 229 1 1 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.513 -1.215 19203 230 1 1 . 1 1 53 53 GLY H H 53 8.801 8.801 8.612 0.189 19203 231 1 1 . 1 1 54 54 VAL N N 54 117.327 117.327 120.682 -3.355 19203 232 1 1 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.785 0.572 19203 233 1 1 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.850 -3.030 19203 234 1 1 . 1 1 54 54 VAL CB C 54 33.723 33.723 34.976 -1.253 19203 235 1 1 . 1 1 54 54 VAL H H 54 8.585 8.585 8.498 0.087 19203 236 1 1 . 1 1 55 55 VAL N N 55 120.925 120.925 127.064 -6.139 19203 237 1 1 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.813 -0.182 19203 238 1 1 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.686 -2.706 19203 239 1 1 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.401 -3.613 19203 240 1 1 . 1 1 55 55 VAL H H 55 8.475 8.475 8.736 -0.261 19203 241 1 1 . 1 1 56 56 GLU N N 56 123.932 123.932 122.719 1.213 19203 242 1 1 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.909 0.089 19203 243 1 1 . 1 1 56 56 GLU CA C 56 51.359 51.359 54.966 -3.607 19203 244 1 1 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.733 -4.659 19203 245 1 1 . 1 1 56 56 GLU H H 56 8.896 8.896 8.494 0.402 19203 246 1 1 . 1 1 57 57 PHE N N 57 120.441 120.441 123.090 -2.649 19203 247 1 1 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.993 -0.004 19203 248 1 1 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.321 -2.246 19203 249 1 1 . 1 1 57 57 PHE CB C 57 39.280 39.280 41.565 -2.284 19203 250 1 1 . 1 1 57 57 PHE H H 57 8.549 8.549 9.239 -0.690 19203 251 1 1 . 1 1 58 58 VAL N N 58 125.263 125.263 118.916 6.347 19203 252 1 1 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.973 -0.401 19203 253 1 1 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.770 -0.377 19203 254 1 1 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.541 -2.980 19203 255 1 1 . 1 1 58 58 VAL H H 58 8.123 8.123 8.084 0.039 19203 256 1 1 . 1 1 59 59 ARG N N 59 117.434 117.434 117.853 -0.419 19203 257 1 1 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.584 0.129 19203 258 1 1 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.562 -2.522 19203 259 1 1 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.237 -3.629 19203 260 1 1 . 1 1 59 59 ARG H H 59 9.504 9.504 7.883 1.621 19203 261 1 1 . 1 1 60 60 LYS N N 60 127.390 127.390 122.787 4.603 19203 262 1 1 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.150 -0.524 19203 263 1 1 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.894 -2.469 19203 264 1 1 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.529 -2.889 19203 265 1 1 . 1 1 60 60 LYS H H 60 8.955 8.955 8.883 0.072 19203 266 1 1 . 1 1 61 61 GLU N N 61 117.610 117.610 119.092 -1.482 19203 267 1 1 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.089 -0.116 19203 268 1 1 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.169 -3.296 19203 269 1 1 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.075 -2.984 19203 270 1 1 . 1 1 61 61 GLU H H 61 9.814 9.814 8.853 0.961 19203 271 1 1 . 1 1 62 62 ASP N N 62 121.439 121.439 120.785 0.654 19203 272 1 1 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.524 -0.175 19203 273 1 1 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.220 -3.797 19203 274 1 1 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.366 -3.096 19203 275 1 1 . 1 1 62 62 ASP H H 62 6.760 6.760 8.393 -1.633 19203 276 1 1 . 1 1 63 63 MET N N 63 120.225 120.225 119.097 1.128 19203 277 1 1 . 1 1 63 63 MET HA H 63 3.070 3.070 3.590 -0.520 19203 278 1 1 . 1 1 63 63 MET CA C 63 56.211 56.211 58.850 -2.639 19203 279 1 1 . 1 1 63 63 MET CB C 63 30.414 30.414 32.341 -1.927 19203 280 1 1 . 1 1 63 63 MET H H 63 6.863 6.863 8.473 -1.610 19203 281 1 1 . 1 1 64 64 THR N N 64 113.874 113.874 115.183 -1.309 19203 282 1 1 . 1 1 64 64 THR HA H 64 3.663 3.663 3.903 -0.240 19203 283 1 1 . 1 1 64 64 THR CA C 64 63.733 63.733 66.746 -3.013 19203 284 1 1 . 1 1 64 64 THR CB C 64 65.692 65.692 68.547 -2.855 19203 285 1 1 . 1 1 64 64 THR H H 64 7.900 7.900 8.371 -0.471 19203 286 1 1 . 1 1 65 65 TYR N N 65 122.573 122.573 123.256 -0.683 19203 287 1 1 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.052 -0.047 19203 288 1 1 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.310 -2.860 19203 289 1 1 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.042 -2.344 19203 290 1 1 . 1 1 65 65 TYR H H 65 7.530 7.530 8.431 -0.901 19203 291 1 1 . 1 1 66 66 ALA N N 66 120.898 120.898 121.996 -1.098 19203 292 1 1 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.027 -0.389 19203 293 1 1 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.421 -2.399 19203 294 1 1 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.189 -1.607 19203 295 1 1 . 1 1 66 66 ALA H H 66 8.144 8.144 8.686 -0.542 19203 296 1 1 . 1 1 67 67 VAL N N 67 115.474 115.474 116.188 -0.714 19203 297 1 1 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.712 -0.396 19203 298 1 1 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.784 -1.135 19203 299 1 1 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.419 -1.957 19203 300 1 1 . 1 1 67 67 VAL H H 67 7.602 7.602 7.612 -0.010 19203 301 1 1 . 1 1 68 68 ARG N N 68 116.635 116.635 118.377 -1.742 19203 302 1 1 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.329 -0.287 19203 303 1 1 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.411 -0.422 19203 304 1 1 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.102 -2.650 19203 305 1 1 . 1 1 68 68 ARG H H 68 7.531 7.531 7.802 -0.271 19203 306 1 1 . 1 1 69 69 LYS N N 69 115.566 115.566 115.781 -0.215 19203 307 1 1 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.467 -0.246 19203 308 1 1 . 1 1 69 69 LYS CA C 69 53.569 53.569 55.546 -1.977 19203 309 1 1 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.250 -3.257 19203 310 1 1 . 1 1 69 69 LYS H H 69 8.664 8.664 8.138 0.526 19203 311 1 1 . 1 1 70 70 LEU N N 70 114.943 114.943 119.893 -4.950 19203 312 1 1 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.665 0.161 19203 313 1 1 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.326 -3.840 19203 314 1 1 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.581 -4.316 19203 315 1 1 . 1 1 70 70 LEU H H 70 8.164 8.164 7.873 0.291 19203 316 1 1 . 1 1 71 71 ASP N N 71 119.864 119.864 120.510 -0.646 19203 317 1 1 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.617 -0.225 19203 318 1 1 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.128 0.056 19203 319 1 1 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.831 -3.368 19203 320 1 1 . 1 1 71 71 ASP H H 71 6.910 6.910 7.638 -0.728 19203 321 1 1 . 1 1 72 72 ASN N N 72 123.602 123.602 117.771 5.831 19203 322 1 1 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.522 0.159 19203 323 1 1 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.571 -2.869 19203 324 1 1 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.098 -3.038 19203 325 1 1 . 1 1 72 72 ASN H H 72 9.037 9.037 8.449 0.588 19203 326 1 1 . 1 1 73 73 THR N N 73 105.063 105.063 109.958 -4.895 19203 327 1 1 . 1 1 73 73 THR HA H 73 4.674 4.674 4.507 0.167 19203 328 1 1 . 1 1 73 73 THR CA C 73 57.397 57.397 61.349 -3.952 19203 329 1 1 . 1 1 73 73 THR CB C 73 70.412 70.412 70.836 -0.424 19203 330 1 1 . 1 1 73 73 THR H H 73 7.187 7.187 7.750 -0.563 19203 331 1 1 . 1 1 74 74 LYS N N 74 120.141 120.141 121.936 -1.795 19203 332 1 1 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.911 -1.255 19203 333 1 1 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.051 -2.218 19203 334 1 1 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.051 -4.146 19203 335 1 1 . 1 1 74 74 LYS H H 74 8.384 8.384 8.419 -0.035 19203 336 1 1 . 1 1 75 75 PHE N N 75 132.829 132.829 125.321 7.508 19203 337 1 1 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.550 -0.234 19203 338 1 1 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.133 -2.930 19203 339 1 1 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.620 -2.164 19203 340 1 1 . 1 1 75 75 PHE H H 75 9.243 9.243 9.294 -0.051 19203 341 1 1 . 1 1 76 76 ARG N N 76 128.489 128.489 126.544 1.945 19203 342 1 1 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.403 0.395 19203 343 1 1 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.564 -4.583 19203 344 1 1 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.858 -1.484 19203 345 1 1 . 1 1 76 76 ARG H H 76 8.293 8.293 7.929 0.364 19203 346 1 1 . 1 1 77 77 SER N N 77 120.971 120.971 115.555 5.416 19203 347 1 1 . 1 1 77 77 SER HA H 77 4.278 4.278 4.793 -0.515 19203 348 1 1 . 1 1 77 77 SER CA C 77 53.406 53.406 56.796 -3.390 19203 349 1 1 . 1 1 77 77 SER CB C 77 63.802 63.802 66.128 -2.326 19203 350 1 1 . 1 1 77 77 SER H H 77 9.107 9.107 7.952 1.155 19203 351 1 1 . 1 1 78 78 HIS N N 78 118.463 118.463 118.668 -0.205 19203 352 1 1 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.615 -0.240 19203 353 1 1 . 1 1 78 78 HIS CA C 78 55.891 55.891 56.929 -1.038 19203 354 1 1 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.018 -5.779 19203 355 1 1 . 1 1 78 78 HIS H H 78 9.696 9.696 8.814 0.882 19203 356 1 1 . 1 1 79 79 GLU N N 79 116.714 116.714 118.978 -2.264 19203 357 1 1 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.478 -0.135 19203 358 1 1 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.753 -2.813 19203 359 1 1 . 1 1 79 79 GLU CB C 79 27.513 27.513 30.115 -2.602 19203 360 1 1 . 1 1 79 79 GLU H H 79 7.053 7.053 7.710 -0.657 19203 361 1 1 . 1 1 80 80 GLY N N 80 108.106 108.106 108.332 -0.226 19203 362 1 1 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.580 -2.943 19203 363 1 1 . 1 1 80 80 GLY H H 80 7.835 7.835 8.460 -0.625 19203 364 1 1 . 1 1 81 81 GLU N N 81 119.017 119.017 118.708 0.309 19203 365 1 1 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.857 -0.523 19203 366 1 1 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.585 -0.858 19203 367 1 1 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.765 -2.287 19203 368 1 1 . 1 1 81 81 GLU H H 81 7.067 7.067 8.060 -0.993 19203 369 1 1 . 1 1 82 82 THR N N 82 114.312 114.312 111.834 2.478 19203 370 1 1 . 1 1 82 82 THR HA H 82 5.771 5.771 5.123 0.648 19203 371 1 1 . 1 1 82 82 THR CA C 82 56.694 56.694 60.621 -3.927 19203 372 1 1 . 1 1 82 82 THR CB C 82 69.359 69.359 71.293 -1.934 19203 373 1 1 . 1 1 82 82 THR H H 82 8.499 8.499 8.259 0.240 19203 374 1 1 . 1 1 83 83 ALA N N 83 123.125 123.125 128.221 -5.096 19203 375 1 1 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.813 -0.372 19203 376 1 1 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.572 -1.475 19203 377 1 1 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.283 0.216 19203 378 1 1 . 1 1 83 83 ALA H H 83 8.674 8.674 8.390 0.284 19203 379 1 1 . 1 1 84 84 TYR N N 84 120.587 120.587 117.316 3.271 19203 380 1 1 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.490 -0.517 19203 381 1 1 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.195 -0.295 19203 382 1 1 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.809 -3.657 19203 383 1 1 . 1 1 84 84 TYR H H 84 8.708 8.708 8.427 0.281 19203 384 1 1 . 1 1 85 85 ILE N N 85 116.081 116.081 113.752 2.329 19203 385 1 1 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.030 -0.178 19203 386 1 1 . 1 1 85 85 ILE CA C 85 56.929 56.929 59.023 -2.094 19203 387 1 1 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.324 -3.949 19203 388 1 1 . 1 1 85 85 ILE H H 85 8.182 8.182 8.540 -0.358 19203 389 1 1 . 1 1 86 86 ARG N N 86 117.289 117.289 122.315 -5.026 19203 390 1 1 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.067 0.170 19203 391 1 1 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.105 -4.958 19203 392 1 1 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.630 -5.157 19203 393 1 1 . 1 1 86 86 ARG H H 86 8.250 8.250 8.662 -0.412 19203 394 1 1 . 1 1 87 87 VAL N N 87 121.679 121.679 124.881 -3.202 19203 395 1 1 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.627 0.006 19203 396 1 1 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.599 -1.960 19203 397 1 1 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.542 -0.913 19203 398 1 1 . 1 1 87 87 VAL H H 87 8.983 8.983 8.635 0.348 19203 399 1 1 . 1 1 88 88 LYS N N 88 123.579 123.579 123.374 0.205 19203 400 1 1 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.658 0.095 19203 401 1 1 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.416 -2.518 19203 402 1 1 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.095 -0.952 19203 403 1 1 . 1 1 88 88 LYS H H 88 8.679 8.679 8.586 0.093 19203 404 1 1 . 1 1 89 89 VAL N N 89 119.787 119.787 120.730 -0.943 19203 405 1 1 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.988 0.137 19203 406 1 1 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.656 -1.616 19203 407 1 1 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.225 -1.884 19203 408 1 1 . 1 1 89 89 VAL H H 89 8.454 8.454 8.572 -0.118 19203 409 1 2 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.654 -0.121 19203 410 1 2 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.699 -3.814 19203 411 1 2 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.401 -3.779 19203 412 1 2 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.502 0.324 19203 413 1 2 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.461 -4.152 19203 414 1 2 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.540 -4.748 19203 415 1 2 . 1 1 4 4 ARG N N 4 121.678 121.678 122.052 -0.374 19203 416 1 2 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.378 -0.157 19203 417 1 2 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.814 -2.239 19203 418 1 2 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.557 -3.090 19203 419 1 2 . 1 1 4 4 ARG H H 4 8.483 8.483 8.420 0.063 19203 420 1 2 . 1 1 5 5 GLY N N 5 109.928 109.928 113.567 -3.639 19203 421 1 2 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.667 -1.999 19203 422 1 2 . 1 1 5 5 GLY H H 5 8.344 8.344 8.495 -0.151 19203 423 1 2 . 1 1 6 6 ARG N N 6 120.896 120.896 119.366 1.530 19203 424 1 2 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.504 -0.362 19203 425 1 2 . 1 1 6 6 ARG CA C 6 53.519 53.519 54.997 -1.478 19203 426 1 2 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.128 -1.910 19203 427 1 2 . 1 1 6 6 ARG H H 6 8.144 8.144 8.461 -0.317 19203 428 1 2 . 1 1 7 7 TYR N N 7 121.118 121.118 120.904 0.214 19203 429 1 2 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.550 0.010 19203 430 1 2 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.870 -3.065 19203 431 1 2 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.204 -2.700 19203 432 1 2 . 1 1 7 7 TYR H H 7 8.218 8.218 7.971 0.247 19203 433 1 2 . 1 1 8 8 GLY N N 8 110.613 110.613 116.494 -5.881 19203 434 1 2 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.915 -3.010 19203 435 1 2 . 1 1 8 8 GLY H H 8 8.021 8.021 8.388 -0.367 19203 436 1 2 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.776 -0.209 19203 437 1 2 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.863 -3.063 19203 438 1 2 . 1 1 9 9 PRO CB C 9 28.361 28.361 30.901 -2.539 19203 439 1 2 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.443 -0.079 19203 440 1 2 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.842 -2.428 19203 441 1 2 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.726 -1.258 19203 442 1 2 . 1 1 11 11 SER N N 11 116.042 116.042 119.584 -3.542 19203 443 1 2 . 1 1 11 11 SER HA H 11 4.394 4.394 4.350 0.044 19203 444 1 2 . 1 1 11 11 SER CA C 11 55.641 55.641 58.226 -2.585 19203 445 1 2 . 1 1 11 11 SER CB C 11 61.349 61.349 64.302 -2.953 19203 446 1 2 . 1 1 11 11 SER H H 11 8.263 8.263 8.332 -0.069 19203 447 1 2 . 1 1 12 12 ARG N N 12 123.432 123.432 121.370 2.062 19203 448 1 2 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.250 0.039 19203 449 1 2 . 1 1 12 12 ARG CA C 12 53.311 53.311 56.854 -3.543 19203 450 1 2 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.157 -1.431 19203 451 1 2 . 1 1 12 12 ARG H H 12 8.317 8.317 8.535 -0.218 19203 452 1 2 . 1 1 13 13 ARG N N 13 119.550 119.550 122.694 -3.144 19203 453 1 2 . 1 1 13 13 ARG CB C 13 28.583 28.583 28.611 -0.028 19203 454 1 2 . 1 1 13 13 ARG H H 13 7.967 7.967 8.745 -0.778 19203 455 1 2 . 1 1 14 14 SER N N 14 117.366 117.366 115.524 1.842 19203 456 1 2 . 1 1 14 14 SER HA H 14 4.588 4.588 4.641 -0.053 19203 457 1 2 . 1 1 14 14 SER CA C 14 54.505 54.505 57.149 -2.644 19203 458 1 2 . 1 1 14 14 SER CB C 14 63.906 63.906 65.694 -1.788 19203 459 1 2 . 1 1 14 14 SER H H 14 8.660 8.660 8.076 0.584 19203 460 1 2 . 1 1 15 15 GLU N N 15 116.212 116.212 120.198 -3.986 19203 461 1 2 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.320 -0.008 19203 462 1 2 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.340 -3.393 19203 463 1 2 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.289 -1.182 19203 464 1 2 . 1 1 15 15 GLU H H 15 8.472 8.472 8.888 -0.416 19203 465 1 2 . 1 1 16 16 ASN N N 16 120.295 120.295 115.690 4.605 19203 466 1 2 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.891 0.106 19203 467 1 2 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.596 -2.665 19203 468 1 2 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.626 -6.315 19203 469 1 2 . 1 1 16 16 ASN H H 16 8.326 8.326 7.938 0.388 19203 470 1 2 . 1 1 17 17 ARG N N 17 123.774 123.774 121.226 2.548 19203 471 1 2 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.774 0.495 19203 472 1 2 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.116 -2.276 19203 473 1 2 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.311 -1.889 19203 474 1 2 . 1 1 17 17 ARG H H 17 7.726 7.726 7.712 0.014 19203 475 1 2 . 1 1 18 18 VAL N N 18 117.634 117.634 119.413 -1.779 19203 476 1 2 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.971 0.071 19203 477 1 2 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.121 -3.031 19203 478 1 2 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.296 -3.550 19203 479 1 2 . 1 1 18 18 VAL H H 18 9.197 9.197 9.093 0.104 19203 480 1 2 . 1 1 19 19 VAL N N 19 119.956 119.956 120.298 -0.342 19203 481 1 2 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.624 0.301 19203 482 1 2 . 1 1 19 19 VAL CA C 19 57.771 57.771 61.730 -3.958 19203 483 1 2 . 1 1 19 19 VAL CB C 19 31.575 31.575 34.891 -3.316 19203 484 1 2 . 1 1 19 19 VAL H H 19 9.111 9.111 8.131 0.980 19203 485 1 2 . 1 1 20 20 VAL N N 20 125.976 125.976 127.027 -1.051 19203 486 1 2 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.880 0.489 19203 487 1 2 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.713 -4.199 19203 488 1 2 . 1 1 20 20 VAL CB C 20 32.047 32.047 32.880 -0.833 19203 489 1 2 . 1 1 20 20 VAL H H 20 8.678 8.678 9.051 -0.373 19203 490 1 2 . 1 1 21 21 SER N N 21 117.905 117.905 117.402 0.503 19203 491 1 2 . 1 1 21 21 SER HA H 21 5.075 5.075 5.075 -0.000 19203 492 1 2 . 1 1 21 21 SER CA C 21 54.228 54.228 56.856 -2.628 19203 493 1 2 . 1 1 21 21 SER CB C 21 63.312 63.312 66.263 -2.951 19203 494 1 2 . 1 1 21 21 SER H H 21 8.917 8.917 8.857 0.060 19203 495 1 2 . 1 1 22 22 GLY N N 22 108.144 108.144 109.234 -1.090 19203 496 1 2 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.057 -2.592 19203 497 1 2 . 1 1 22 22 GLY H H 22 8.079 8.079 8.517 -0.438 19203 498 1 2 . 1 1 23 23 LEU N N 23 119.379 119.379 122.318 -2.939 19203 499 1 2 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.034 -0.611 19203 500 1 2 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.365 -2.492 19203 501 1 2 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.014 -1.936 19203 502 1 2 . 1 1 23 23 LEU H H 23 8.485 8.485 7.389 1.096 19203 503 1 2 . 1 1 24 24 PRO CB C 24 27.899 27.899 31.041 -3.142 19203 504 1 2 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.387 -0.129 19203 505 1 2 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.245 -1.486 19203 506 1 2 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.812 -2.583 19203 507 1 2 . 1 1 26 26 SER N N 26 106.249 106.249 114.978 -8.729 19203 508 1 2 . 1 1 26 26 SER HA H 26 4.319 4.319 4.694 -0.375 19203 509 1 2 . 1 1 26 26 SER CA C 26 55.722 55.722 58.226 -2.504 19203 510 1 2 . 1 1 26 26 SER CB C 26 61.171 61.171 64.596 -3.425 19203 511 1 2 . 1 1 26 26 SER H H 26 7.309 7.309 7.745 -0.436 19203 512 1 2 . 1 1 27 27 GLY N N 27 107.883 107.883 108.439 -0.556 19203 513 1 2 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.517 -0.313 19203 514 1 2 . 1 1 27 27 GLY H H 27 8.075 8.075 7.743 0.332 19203 515 1 2 . 1 1 28 28 SER N N 28 123.917 123.917 117.438 6.479 19203 516 1 2 . 1 1 28 28 SER HA H 28 4.903 4.903 4.977 -0.074 19203 517 1 2 . 1 1 28 28 SER CA C 28 53.260 53.260 55.613 -2.353 19203 518 1 2 . 1 1 28 28 SER CB C 28 64.609 64.609 66.188 -1.579 19203 519 1 2 . 1 1 28 28 SER H H 28 9.021 9.021 8.448 0.573 19203 520 1 2 . 1 1 29 29 TRP N N 29 120.079 120.079 122.358 -2.279 19203 521 1 2 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.407 -0.383 19203 522 1 2 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.147 -2.083 19203 523 1 2 . 1 1 29 29 TRP CB C 29 25.222 25.222 29.009 -3.787 19203 524 1 2 . 1 1 29 29 TRP H H 29 9.042 9.042 8.999 0.043 19203 525 1 2 . 1 1 30 30 GLN N N 30 123.085 123.085 120.588 2.497 19203 526 1 2 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.690 -0.496 19203 527 1 2 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.558 -2.592 19203 528 1 2 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.394 -2.710 19203 529 1 2 . 1 1 30 30 GLN H H 30 7.587 7.587 7.344 0.243 19203 530 1 2 . 1 1 31 31 ASP N N 31 120.127 120.127 119.693 0.434 19203 531 1 2 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.306 -0.156 19203 532 1 2 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.114 -2.779 19203 533 1 2 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.456 -1.184 19203 534 1 2 . 1 1 31 31 ASP H H 31 7.697 7.697 7.910 -0.213 19203 535 1 2 . 1 1 32 32 LEU N N 32 122.010 122.010 121.074 0.936 19203 536 1 2 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.293 -0.088 19203 537 1 2 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.151 -2.612 19203 538 1 2 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.560 -2.559 19203 539 1 2 . 1 1 32 32 LEU H H 32 8.260 8.260 7.959 0.301 19203 540 1 2 . 1 1 33 33 LYS N N 33 120.333 120.333 119.229 1.104 19203 541 1 2 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.094 -0.582 19203 542 1 2 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.932 -1.447 19203 543 1 2 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.448 -2.809 19203 544 1 2 . 1 1 33 33 LYS H H 33 8.506 8.506 8.518 -0.012 19203 545 1 2 . 1 1 34 34 ASP N N 34 117.666 117.666 116.433 1.233 19203 546 1 2 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.599 -0.317 19203 547 1 2 . 1 1 34 34 ASP CA C 34 54.882 54.882 55.582 -0.700 19203 548 1 2 . 1 1 34 34 ASP CB C 34 37.540 37.540 40.889 -3.349 19203 549 1 2 . 1 1 34 34 ASP H H 34 8.353 8.353 7.837 0.516 19203 550 1 2 . 1 1 35 35 HIS N N 35 119.654 119.654 117.258 2.396 19203 551 1 2 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.663 -0.556 19203 552 1 2 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.111 0.213 19203 553 1 2 . 1 1 35 35 HIS CB C 35 30.265 30.265 32.909 -2.644 19203 554 1 2 . 1 1 35 35 HIS H H 35 7.943 7.943 7.935 0.008 19203 555 1 2 . 1 1 36 36 MET N N 36 111.628 111.628 122.323 -10.695 19203 556 1 2 . 1 1 36 36 MET HA H 36 4.572 4.572 4.596 -0.024 19203 557 1 2 . 1 1 36 36 MET CA C 36 52.172 52.172 55.810 -3.638 19203 558 1 2 . 1 1 36 36 MET CB C 36 31.060 31.060 31.872 -0.812 19203 559 1 2 . 1 1 36 36 MET H H 36 7.812 7.812 8.471 -0.659 19203 560 1 2 . 1 1 37 37 ARG N N 37 119.419 119.419 120.703 -1.284 19203 561 1 2 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.598 0.035 19203 562 1 2 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.944 -0.537 19203 563 1 2 . 1 1 37 37 ARG CB C 37 27.001 27.001 31.215 -4.214 19203 564 1 2 . 1 1 37 37 ARG H H 37 7.929 7.929 8.342 -0.413 19203 565 1 2 . 1 1 38 38 GLU N N 38 118.450 118.450 120.926 -2.476 19203 566 1 2 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.293 -0.306 19203 567 1 2 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.320 -1.733 19203 568 1 2 . 1 1 38 38 GLU CB C 38 27.457 27.457 30.050 -2.594 19203 569 1 2 . 1 1 38 38 GLU H H 38 7.524 7.524 8.166 -0.642 19203 570 1 2 . 1 1 39 39 ALA N N 39 118.496 118.496 121.776 -3.280 19203 571 1 2 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.630 -0.651 19203 572 1 2 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.259 -1.033 19203 573 1 2 . 1 1 39 39 ALA CB C 39 17.657 17.657 18.981 -1.324 19203 574 1 2 . 1 1 39 39 ALA H H 39 7.958 7.958 7.599 0.359 19203 575 1 2 . 1 1 40 40 GLY N N 40 101.970 101.970 110.576 -8.606 19203 576 1 2 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.993 -3.473 19203 577 1 2 . 1 1 40 40 GLY H H 40 7.172 7.172 8.030 -0.858 19203 578 1 2 . 1 1 41 41 ASP N N 41 116.412 116.412 124.882 -8.470 19203 579 1 2 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.747 -0.296 19203 580 1 2 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.232 0.016 19203 581 1 2 . 1 1 41 41 ASP CB C 41 38.386 38.386 41.942 -3.556 19203 582 1 2 . 1 1 41 41 ASP H H 41 7.917 7.917 8.381 -0.464 19203 583 1 2 . 1 1 42 42 VAL N N 42 128.043 128.043 125.739 2.304 19203 584 1 2 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.981 0.045 19203 585 1 2 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.812 -1.990 19203 586 1 2 . 1 1 42 42 VAL CB C 42 31.944 31.944 31.573 0.371 19203 587 1 2 . 1 1 42 42 VAL H H 42 8.366 8.366 8.423 -0.057 19203 588 1 2 . 1 1 43 43 CYS N N 43 122.686 122.686 126.845 -4.159 19203 589 1 2 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.328 0.451 19203 590 1 2 . 1 1 43 43 CYS CA C 43 54.138 54.138 60.636 -6.498 19203 591 1 2 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.055 -1.400 19203 592 1 2 . 1 1 43 43 CYS H H 43 8.800 8.800 8.956 -0.156 19203 593 1 2 . 1 1 44 44 TYR N N 44 122.582 122.582 120.067 2.515 19203 594 1 2 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.680 -0.244 19203 595 1 2 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.100 -1.312 19203 596 1 2 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.766 -1.963 19203 597 1 2 . 1 1 44 44 TYR H H 44 7.420 7.420 7.850 -0.430 19203 598 1 2 . 1 1 45 45 ALA N N 45 127.108 127.108 127.914 -0.806 19203 599 1 2 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.581 0.360 19203 600 1 2 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.401 -3.366 19203 601 1 2 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.856 -1.617 19203 602 1 2 . 1 1 45 45 ALA H H 45 7.107 7.107 7.822 -0.715 19203 603 1 2 . 1 1 46 46 ASP N N 46 117.612 117.612 122.499 -4.887 19203 604 1 2 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.712 -0.089 19203 605 1 2 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.089 -3.570 19203 606 1 2 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.769 -2.976 19203 607 1 2 . 1 1 46 46 ASP H H 46 8.463 8.463 8.573 -0.110 19203 608 1 2 . 1 1 47 47 VAL N N 47 116.535 116.535 124.647 -8.112 19203 609 1 2 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.097 0.149 19203 610 1 2 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.602 -3.545 19203 611 1 2 . 1 1 47 47 VAL CB C 47 32.901 32.901 32.623 0.278 19203 612 1 2 . 1 1 47 47 VAL H H 47 8.096 8.096 8.607 -0.511 19203 613 1 2 . 1 1 48 48 TYR N N 48 124.428 124.428 128.028 -3.600 19203 614 1 2 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.591 0.352 19203 615 1 2 . 1 1 48 48 TYR CA C 48 53.268 53.268 57.101 -3.833 19203 616 1 2 . 1 1 48 48 TYR CB C 48 36.185 36.185 38.795 -2.610 19203 617 1 2 . 1 1 48 48 TYR H H 48 8.673 8.673 7.956 0.717 19203 618 1 2 . 1 1 49 49 ARG N N 49 117.750 117.750 120.707 -2.957 19203 619 1 2 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.434 -0.245 19203 620 1 2 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.013 -0.899 19203 621 1 2 . 1 1 49 49 ARG CB C 49 26.710 26.710 30.139 -3.429 19203 622 1 2 . 1 1 49 49 ARG H H 49 8.520 8.520 8.671 -0.151 19203 623 1 2 . 1 1 50 50 ASP N N 50 117.696 117.696 123.271 -5.575 19203 624 1 2 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.753 -0.173 19203 625 1 2 . 1 1 50 50 ASP CA C 50 50.176 50.176 54.016 -3.840 19203 626 1 2 . 1 1 50 50 ASP CB C 50 37.905 37.905 41.242 -3.337 19203 627 1 2 . 1 1 50 50 ASP H H 50 7.960 7.960 8.186 -0.226 19203 628 1 2 . 1 1 51 51 GLY N N 51 108.367 108.367 107.831 0.536 19203 629 1 2 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.403 -2.840 19203 630 1 2 . 1 1 51 51 GLY H H 51 8.053 8.053 8.762 -0.709 19203 631 1 2 . 1 1 52 52 THR N N 52 109.991 109.991 109.605 0.386 19203 632 1 2 . 1 1 52 52 THR HA H 52 5.497 5.497 5.001 0.496 19203 633 1 2 . 1 1 52 52 THR CA C 52 57.040 57.040 59.733 -2.693 19203 634 1 2 . 1 1 52 52 THR CB C 52 69.847 69.847 72.633 -2.786 19203 635 1 2 . 1 1 52 52 THR H H 52 7.637 7.637 7.141 0.496 19203 636 1 2 . 1 1 53 53 GLY N N 53 105.727 105.727 106.780 -1.053 19203 637 1 2 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.551 -1.253 19203 638 1 2 . 1 1 53 53 GLY H H 53 8.801 8.801 8.538 0.263 19203 639 1 2 . 1 1 54 54 VAL N N 54 117.327 117.327 122.441 -5.114 19203 640 1 2 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.706 0.651 19203 641 1 2 . 1 1 54 54 VAL CA C 54 56.820 56.820 60.469 -3.649 19203 642 1 2 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.272 -1.548 19203 643 1 2 . 1 1 54 54 VAL H H 54 8.585 8.585 9.144 -0.559 19203 644 1 2 . 1 1 55 55 VAL N N 55 120.925 120.925 128.972 -8.047 19203 645 1 2 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.776 -0.145 19203 646 1 2 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.990 -3.010 19203 647 1 2 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.808 -4.020 19203 648 1 2 . 1 1 55 55 VAL H H 55 8.475 8.475 8.938 -0.463 19203 649 1 2 . 1 1 56 56 GLU N N 56 123.932 123.932 124.519 -0.587 19203 650 1 2 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.786 0.212 19203 651 1 2 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.300 -3.941 19203 652 1 2 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.426 -3.352 19203 653 1 2 . 1 1 56 56 GLU H H 56 8.896 8.896 8.510 0.386 19203 654 1 2 . 1 1 57 57 PHE N N 57 120.441 120.441 124.761 -4.320 19203 655 1 2 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.704 0.285 19203 656 1 2 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.890 -2.815 19203 657 1 2 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.266 -0.986 19203 658 1 2 . 1 1 57 57 PHE H H 57 8.549 8.549 9.173 -0.624 19203 659 1 2 . 1 1 58 58 VAL N N 58 125.263 125.263 120.954 4.309 19203 660 1 2 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.848 -0.276 19203 661 1 2 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.704 -0.311 19203 662 1 2 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.097 -2.536 19203 663 1 2 . 1 1 58 58 VAL H H 58 8.123 8.123 8.611 -0.488 19203 664 1 2 . 1 1 59 59 ARG N N 59 117.434 117.434 115.740 1.694 19203 665 1 2 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.568 0.145 19203 666 1 2 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.738 -2.697 19203 667 1 2 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.367 -3.759 19203 668 1 2 . 1 1 59 59 ARG H H 59 9.504 9.504 8.005 1.499 19203 669 1 2 . 1 1 60 60 LYS N N 60 127.390 127.390 122.085 5.305 19203 670 1 2 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.028 -0.402 19203 671 1 2 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.906 -2.481 19203 672 1 2 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.412 -2.772 19203 673 1 2 . 1 1 60 60 LYS H H 60 8.955 8.955 8.803 0.152 19203 674 1 2 . 1 1 61 61 GLU N N 61 117.610 117.610 118.836 -1.226 19203 675 1 2 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.170 -0.197 19203 676 1 2 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.442 -2.570 19203 677 1 2 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.575 -2.484 19203 678 1 2 . 1 1 61 61 GLU H H 61 9.814 9.814 8.884 0.930 19203 679 1 2 . 1 1 62 62 ASP N N 62 121.439 121.439 120.979 0.460 19203 680 1 2 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.467 -0.118 19203 681 1 2 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.306 -3.883 19203 682 1 2 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.455 -3.185 19203 683 1 2 . 1 1 62 62 ASP H H 62 6.760 6.760 8.460 -1.700 19203 684 1 2 . 1 1 63 63 MET N N 63 120.225 120.225 120.056 0.169 19203 685 1 2 . 1 1 63 63 MET HA H 63 3.070 3.070 3.513 -0.443 19203 686 1 2 . 1 1 63 63 MET CA C 63 56.211 56.211 59.221 -3.010 19203 687 1 2 . 1 1 63 63 MET CB C 63 30.414 30.414 32.618 -2.204 19203 688 1 2 . 1 1 63 63 MET H H 63 6.863 6.863 8.446 -1.583 19203 689 1 2 . 1 1 64 64 THR N N 64 113.874 113.874 115.688 -1.814 19203 690 1 2 . 1 1 64 64 THR HA H 64 3.663 3.663 3.893 -0.230 19203 691 1 2 . 1 1 64 64 THR CA C 64 63.733 63.733 67.128 -3.395 19203 692 1 2 . 1 1 64 64 THR CB C 64 65.692 65.692 68.518 -2.826 19203 693 1 2 . 1 1 64 64 THR H H 64 7.900 7.900 8.491 -0.591 19203 694 1 2 . 1 1 65 65 TYR N N 65 122.573 122.573 122.497 0.076 19203 695 1 2 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.038 -0.033 19203 696 1 2 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.558 -3.108 19203 697 1 2 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.160 -2.462 19203 698 1 2 . 1 1 65 65 TYR H H 65 7.530 7.530 8.288 -0.758 19203 699 1 2 . 1 1 66 66 ALA N N 66 120.898 120.898 121.347 -0.449 19203 700 1 2 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.133 -0.495 19203 701 1 2 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.312 -2.290 19203 702 1 2 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.882 -1.300 19203 703 1 2 . 1 1 66 66 ALA H H 66 8.144 8.144 7.904 0.240 19203 704 1 2 . 1 1 67 67 VAL N N 67 115.474 115.474 114.435 1.039 19203 705 1 2 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.808 -0.492 19203 706 1 2 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.576 -0.927 19203 707 1 2 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.595 -2.133 19203 708 1 2 . 1 1 67 67 VAL H H 67 7.602 7.602 7.600 0.002 19203 709 1 2 . 1 1 68 68 ARG N N 68 116.635 116.635 116.520 0.115 19203 710 1 2 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.341 -0.299 19203 711 1 2 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.810 -0.821 19203 712 1 2 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.411 -2.959 19203 713 1 2 . 1 1 68 68 ARG H H 68 7.531 7.531 7.478 0.053 19203 714 1 2 . 1 1 69 69 LYS N N 69 115.566 115.566 115.894 -0.328 19203 715 1 2 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.432 -0.211 19203 716 1 2 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.396 -2.827 19203 717 1 2 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.403 -3.410 19203 718 1 2 . 1 1 69 69 LYS H H 69 8.664 8.664 8.185 0.479 19203 719 1 2 . 1 1 70 70 LEU N N 70 114.943 114.943 120.582 -5.639 19203 720 1 2 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.643 0.183 19203 721 1 2 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.965 -3.479 19203 722 1 2 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.741 -3.476 19203 723 1 2 . 1 1 70 70 LEU H H 70 8.164 8.164 7.893 0.271 19203 724 1 2 . 1 1 71 71 ASP N N 71 119.864 119.864 118.961 0.903 19203 725 1 2 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.685 -0.293 19203 726 1 2 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.240 0.944 19203 727 1 2 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.980 -3.517 19203 728 1 2 . 1 1 71 71 ASP H H 71 6.910 6.910 7.474 -0.564 19203 729 1 2 . 1 1 72 72 ASN N N 72 123.602 123.602 118.700 4.902 19203 730 1 2 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.574 0.107 19203 731 1 2 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.486 -2.784 19203 732 1 2 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.080 -3.020 19203 733 1 2 . 1 1 72 72 ASN H H 72 9.037 9.037 8.546 0.491 19203 734 1 2 . 1 1 73 73 THR N N 73 105.063 105.063 109.673 -4.610 19203 735 1 2 . 1 1 73 73 THR HA H 73 4.674 4.674 4.504 0.170 19203 736 1 2 . 1 1 73 73 THR CA C 73 57.397 57.397 62.452 -5.055 19203 737 1 2 . 1 1 73 73 THR CB C 73 70.412 70.412 70.332 0.080 19203 738 1 2 . 1 1 73 73 THR H H 73 7.187 7.187 7.813 -0.626 19203 739 1 2 . 1 1 74 74 LYS N N 74 120.141 120.141 119.726 0.415 19203 740 1 2 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.750 -1.094 19203 741 1 2 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.628 -3.795 19203 742 1 2 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.054 -4.149 19203 743 1 2 . 1 1 74 74 LYS H H 74 8.384 8.384 8.370 0.014 19203 744 1 2 . 1 1 75 75 PHE N N 75 132.829 132.829 117.136 15.693 19203 745 1 2 . 1 1 75 75 PHE HA H 75 4.316 4.316 3.796 0.520 19203 746 1 2 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.494 -3.291 19203 747 1 2 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.448 -1.992 19203 748 1 2 . 1 1 75 75 PHE H H 75 9.243 9.243 8.603 0.640 19203 749 1 2 . 1 1 76 76 ARG N N 76 128.489 128.489 127.659 0.830 19203 750 1 2 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.246 0.552 19203 751 1 2 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.607 -4.626 19203 752 1 2 . 1 1 76 76 ARG CB C 76 30.374 30.374 30.277 0.097 19203 753 1 2 . 1 1 76 76 ARG H H 76 8.293 8.293 7.845 0.448 19203 754 1 2 . 1 1 77 77 SER N N 77 120.971 120.971 118.551 2.420 19203 755 1 2 . 1 1 77 77 SER HA H 77 4.278 4.278 4.910 -0.632 19203 756 1 2 . 1 1 77 77 SER CA C 77 53.406 53.406 57.256 -3.850 19203 757 1 2 . 1 1 77 77 SER CB C 77 63.802 63.802 65.730 -1.928 19203 758 1 2 . 1 1 77 77 SER H H 77 9.107 9.107 8.759 0.348 19203 759 1 2 . 1 1 78 78 HIS N N 78 118.463 118.463 121.701 -3.238 19203 760 1 2 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.514 -0.139 19203 761 1 2 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.445 -1.554 19203 762 1 2 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.992 -5.753 19203 763 1 2 . 1 1 78 78 HIS H H 78 9.696 9.696 9.010 0.686 19203 764 1 2 . 1 1 79 79 GLU N N 79 116.714 116.714 118.288 -1.574 19203 765 1 2 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.295 0.048 19203 766 1 2 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.156 -3.216 19203 767 1 2 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.595 -2.082 19203 768 1 2 . 1 1 79 79 GLU H H 79 7.053 7.053 8.264 -1.211 19203 769 1 2 . 1 1 80 80 GLY N N 80 108.106 108.106 108.448 -0.342 19203 770 1 2 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.587 -2.950 19203 771 1 2 . 1 1 80 80 GLY H H 80 7.835 7.835 7.867 -0.032 19203 772 1 2 . 1 1 81 81 GLU N N 81 119.017 119.017 117.664 1.353 19203 773 1 2 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.783 -0.449 19203 774 1 2 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.064 -0.337 19203 775 1 2 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.596 -2.118 19203 776 1 2 . 1 1 81 81 GLU H H 81 7.067 7.067 7.962 -0.895 19203 777 1 2 . 1 1 82 82 THR N N 82 114.312 114.312 110.819 3.493 19203 778 1 2 . 1 1 82 82 THR HA H 82 5.771 5.771 5.059 0.712 19203 779 1 2 . 1 1 82 82 THR CA C 82 56.694 56.694 60.585 -3.891 19203 780 1 2 . 1 1 82 82 THR CB C 82 69.359 69.359 71.729 -2.370 19203 781 1 2 . 1 1 82 82 THR H H 82 8.499 8.499 8.308 0.191 19203 782 1 2 . 1 1 83 83 ALA N N 83 123.125 123.125 128.056 -4.931 19203 783 1 2 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.828 -0.387 19203 784 1 2 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.235 -1.138 19203 785 1 2 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.536 -0.037 19203 786 1 2 . 1 1 83 83 ALA H H 83 8.674 8.674 8.718 -0.044 19203 787 1 2 . 1 1 84 84 TYR N N 84 120.587 120.587 116.252 4.335 19203 788 1 2 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.432 -0.459 19203 789 1 2 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.900 0.000 19203 790 1 2 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.114 -3.962 19203 791 1 2 . 1 1 84 84 TYR H H 84 8.708 8.708 8.255 0.453 19203 792 1 2 . 1 1 85 85 ILE N N 85 116.081 116.081 113.944 2.137 19203 793 1 2 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.954 -0.102 19203 794 1 2 . 1 1 85 85 ILE CA C 85 56.929 56.929 59.127 -2.198 19203 795 1 2 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.073 -3.698 19203 796 1 2 . 1 1 85 85 ILE H H 85 8.182 8.182 8.808 -0.626 19203 797 1 2 . 1 1 86 86 ARG N N 86 117.289 117.289 124.402 -7.113 19203 798 1 2 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.695 0.542 19203 799 1 2 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.492 -5.345 19203 800 1 2 . 1 1 86 86 ARG CB C 86 27.473 27.473 31.566 -4.093 19203 801 1 2 . 1 1 86 86 ARG H H 86 8.250 8.250 8.642 -0.392 19203 802 1 2 . 1 1 87 87 VAL N N 87 121.679 121.679 124.568 -2.889 19203 803 1 2 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.059 0.574 19203 804 1 2 . 1 1 87 87 VAL CA C 87 58.639 58.639 62.098 -3.459 19203 805 1 2 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.313 0.316 19203 806 1 2 . 1 1 87 87 VAL H H 87 8.983 8.983 8.664 0.319 19203 807 1 2 . 1 1 88 88 LYS N N 88 123.579 123.579 125.987 -2.408 19203 808 1 2 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.652 0.101 19203 809 1 2 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.433 -2.535 19203 810 1 2 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.284 -1.141 19203 811 1 2 . 1 1 88 88 LYS H H 88 8.679 8.679 7.940 0.739 19203 812 1 2 . 1 1 89 89 VAL N N 89 119.787 119.787 121.915 -2.128 19203 813 1 2 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.888 0.237 19203 814 1 2 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.539 -1.500 19203 815 1 2 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.656 -1.315 19203 816 1 2 . 1 1 89 89 VAL H H 89 8.454 8.454 8.546 -0.092 19203 817 1 3 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.517 0.016 19203 818 1 3 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.450 -3.565 19203 819 1 3 . 1 1 2 2 ALA CB C 2 15.622 15.622 18.241 -2.619 19203 820 1 3 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.483 0.343 19203 821 1 3 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.844 -4.535 19203 822 1 3 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.470 -4.678 19203 823 1 3 . 1 1 4 4 ARG N N 4 121.678 121.678 116.452 5.226 19203 824 1 3 . 1 1 4 4 ARG HA H 4 4.221 4.221 5.107 -0.886 19203 825 1 3 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.832 -2.257 19203 826 1 3 . 1 1 4 4 ARG CB C 4 28.467 28.467 33.077 -4.610 19203 827 1 3 . 1 1 4 4 ARG H H 4 8.483 8.483 8.309 0.174 19203 828 1 3 . 1 1 5 5 GLY N N 5 109.928 109.928 107.857 2.071 19203 829 1 3 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.745 -3.077 19203 830 1 3 . 1 1 5 5 GLY H H 5 8.344 8.344 8.581 -0.237 19203 831 1 3 . 1 1 6 6 ARG N N 6 120.896 120.896 119.331 1.565 19203 832 1 3 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.771 -0.629 19203 833 1 3 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.142 -1.623 19203 834 1 3 . 1 1 6 6 ARG CB C 6 28.218 28.218 32.169 -3.951 19203 835 1 3 . 1 1 6 6 ARG H H 6 8.144 8.144 8.329 -0.185 19203 836 1 3 . 1 1 7 7 TYR N N 7 121.118 121.118 123.521 -2.403 19203 837 1 3 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.731 -0.171 19203 838 1 3 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.834 -3.029 19203 839 1 3 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.746 -4.242 19203 840 1 3 . 1 1 7 7 TYR H H 7 8.218 8.218 8.741 -0.523 19203 841 1 3 . 1 1 8 8 GLY N N 8 110.613 110.613 112.459 -1.846 19203 842 1 3 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.899 -2.994 19203 843 1 3 . 1 1 8 8 GLY H H 8 8.021 8.021 7.981 0.040 19203 844 1 3 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.654 -0.087 19203 845 1 3 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.603 -2.803 19203 846 1 3 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.178 -2.817 19203 847 1 3 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.584 -0.220 19203 848 1 3 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.064 -2.650 19203 849 1 3 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.142 -0.675 19203 850 1 3 . 1 1 11 11 SER N N 11 116.042 116.042 117.285 -1.243 19203 851 1 3 . 1 1 11 11 SER HA H 11 4.394 4.394 4.672 -0.278 19203 852 1 3 . 1 1 11 11 SER CA C 11 55.641 55.641 58.027 -2.386 19203 853 1 3 . 1 1 11 11 SER CB C 11 61.349 61.349 64.865 -3.516 19203 854 1 3 . 1 1 11 11 SER H H 11 8.263 8.263 7.797 0.466 19203 855 1 3 . 1 1 12 12 ARG N N 12 123.432 123.432 121.647 1.785 19203 856 1 3 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.732 -0.443 19203 857 1 3 . 1 1 12 12 ARG CA C 12 53.311 53.311 54.520 -1.209 19203 858 1 3 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.361 -2.635 19203 859 1 3 . 1 1 12 12 ARG H H 12 8.317 8.317 8.460 -0.143 19203 860 1 3 . 1 1 13 13 ARG N N 13 119.550 119.550 121.710 -2.160 19203 861 1 3 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.647 -2.064 19203 862 1 3 . 1 1 13 13 ARG H H 13 7.967 7.967 8.729 -0.762 19203 863 1 3 . 1 1 14 14 SER N N 14 117.366 117.366 111.977 5.389 19203 864 1 3 . 1 1 14 14 SER HA H 14 4.588 4.588 4.578 0.010 19203 865 1 3 . 1 1 14 14 SER CA C 14 54.505 54.505 57.701 -3.196 19203 866 1 3 . 1 1 14 14 SER CB C 14 63.906 63.906 65.210 -1.304 19203 867 1 3 . 1 1 14 14 SER H H 14 8.660 8.660 7.899 0.761 19203 868 1 3 . 1 1 15 15 GLU N N 15 116.212 116.212 119.569 -3.357 19203 869 1 3 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.165 0.147 19203 870 1 3 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.274 -4.327 19203 871 1 3 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.242 -1.135 19203 872 1 3 . 1 1 15 15 GLU H H 15 8.472 8.472 8.900 -0.428 19203 873 1 3 . 1 1 16 16 ASN N N 16 120.295 120.295 115.832 4.463 19203 874 1 3 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.965 0.032 19203 875 1 3 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.483 -2.552 19203 876 1 3 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.232 -5.921 19203 877 1 3 . 1 1 16 16 ASN H H 16 8.326 8.326 8.108 0.218 19203 878 1 3 . 1 1 17 17 ARG N N 17 123.774 123.774 120.410 3.364 19203 879 1 3 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.872 0.397 19203 880 1 3 . 1 1 17 17 ARG CA C 17 52.840 52.840 54.903 -2.063 19203 881 1 3 . 1 1 17 17 ARG CB C 17 31.422 31.422 34.184 -2.762 19203 882 1 3 . 1 1 17 17 ARG H H 17 7.726 7.726 7.531 0.195 19203 883 1 3 . 1 1 18 18 VAL N N 18 117.634 117.634 120.536 -2.902 19203 884 1 3 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.732 0.310 19203 885 1 3 . 1 1 18 18 VAL CA C 18 56.090 56.090 60.370 -4.280 19203 886 1 3 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.329 -3.583 19203 887 1 3 . 1 1 18 18 VAL H H 18 9.197 9.197 8.638 0.559 19203 888 1 3 . 1 1 19 19 VAL N N 19 119.956 119.956 120.894 -0.938 19203 889 1 3 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.746 0.179 19203 890 1 3 . 1 1 19 19 VAL CA C 19 57.771 57.771 61.626 -3.855 19203 891 1 3 . 1 1 19 19 VAL CB C 19 31.575 31.575 34.389 -2.814 19203 892 1 3 . 1 1 19 19 VAL H H 19 9.111 9.111 8.759 0.352 19203 893 1 3 . 1 1 20 20 VAL N N 20 125.976 125.976 127.606 -1.630 19203 894 1 3 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.839 0.530 19203 895 1 3 . 1 1 20 20 VAL CA C 20 56.514 56.514 61.549 -5.035 19203 896 1 3 . 1 1 20 20 VAL CB C 20 32.047 32.047 33.157 -1.111 19203 897 1 3 . 1 1 20 20 VAL H H 20 8.678 8.678 9.052 -0.374 19203 898 1 3 . 1 1 21 21 SER N N 21 117.905 117.905 116.293 1.612 19203 899 1 3 . 1 1 21 21 SER HA H 21 5.075 5.075 5.156 -0.081 19203 900 1 3 . 1 1 21 21 SER CA C 21 54.228 54.228 57.067 -2.839 19203 901 1 3 . 1 1 21 21 SER CB C 21 63.312 63.312 66.633 -3.321 19203 902 1 3 . 1 1 21 21 SER H H 21 8.917 8.917 7.984 0.933 19203 903 1 3 . 1 1 22 22 GLY N N 22 108.144 108.144 108.464 -0.320 19203 904 1 3 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.231 -2.766 19203 905 1 3 . 1 1 22 22 GLY H H 22 8.079 8.079 8.310 -0.231 19203 906 1 3 . 1 1 23 23 LEU N N 23 119.379 119.379 121.519 -2.140 19203 907 1 3 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.248 -0.825 19203 908 1 3 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.097 -2.224 19203 909 1 3 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.659 -3.581 19203 910 1 3 . 1 1 23 23 LEU H H 23 8.485 8.485 7.166 1.319 19203 911 1 3 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.881 -2.982 19203 912 1 3 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.351 -0.093 19203 913 1 3 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.652 -1.893 19203 914 1 3 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.796 -2.567 19203 915 1 3 . 1 1 26 26 SER N N 26 106.249 106.249 113.665 -7.416 19203 916 1 3 . 1 1 26 26 SER HA H 26 4.319 4.319 4.598 -0.279 19203 917 1 3 . 1 1 26 26 SER CA C 26 55.722 55.722 57.137 -1.415 19203 918 1 3 . 1 1 26 26 SER CB C 26 61.171 61.171 63.333 -2.162 19203 919 1 3 . 1 1 26 26 SER H H 26 7.309 7.309 8.168 -0.859 19203 920 1 3 . 1 1 27 27 GLY N N 27 107.883 107.883 109.324 -1.441 19203 921 1 3 . 1 1 27 27 GLY CA C 27 44.204 44.204 45.209 -1.006 19203 922 1 3 . 1 1 27 27 GLY H H 27 8.075 8.075 7.575 0.500 19203 923 1 3 . 1 1 28 28 SER N N 28 123.917 123.917 114.960 8.957 19203 924 1 3 . 1 1 28 28 SER HA H 28 4.903 4.903 4.691 0.212 19203 925 1 3 . 1 1 28 28 SER CA C 28 53.260 53.260 57.241 -3.981 19203 926 1 3 . 1 1 28 28 SER CB C 28 64.609 64.609 66.358 -1.748 19203 927 1 3 . 1 1 28 28 SER H H 28 9.021 9.021 8.469 0.552 19203 928 1 3 . 1 1 29 29 TRP N N 29 120.079 120.079 121.885 -1.806 19203 929 1 3 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.339 -0.315 19203 930 1 3 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.657 -1.593 19203 931 1 3 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.884 -3.662 19203 932 1 3 . 1 1 29 29 TRP H H 29 9.042 9.042 8.613 0.429 19203 933 1 3 . 1 1 30 30 GLN N N 30 123.085 123.085 121.056 2.029 19203 934 1 3 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.915 -0.721 19203 935 1 3 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.473 -2.507 19203 936 1 3 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.853 -3.169 19203 937 1 3 . 1 1 30 30 GLN H H 30 7.587 7.587 7.303 0.284 19203 938 1 3 . 1 1 31 31 ASP N N 31 120.127 120.127 119.257 0.870 19203 939 1 3 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.391 -0.241 19203 940 1 3 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.067 -2.732 19203 941 1 3 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.673 -1.401 19203 942 1 3 . 1 1 31 31 ASP H H 31 7.697 7.697 7.940 -0.243 19203 943 1 3 . 1 1 32 32 LEU N N 32 122.010 122.010 121.369 0.641 19203 944 1 3 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.282 -0.077 19203 945 1 3 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.263 -2.724 19203 946 1 3 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.462 -2.461 19203 947 1 3 . 1 1 32 32 LEU H H 32 8.260 8.260 7.916 0.344 19203 948 1 3 . 1 1 33 33 LYS N N 33 120.333 120.333 118.300 2.033 19203 949 1 3 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.108 -0.596 19203 950 1 3 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.171 -0.686 19203 951 1 3 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.337 -2.699 19203 952 1 3 . 1 1 33 33 LYS H H 33 8.506 8.506 8.103 0.403 19203 953 1 3 . 1 1 34 34 ASP N N 34 117.666 117.666 115.735 1.931 19203 954 1 3 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.642 -0.359 19203 955 1 3 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.421 -1.539 19203 956 1 3 . 1 1 34 34 ASP CB C 34 37.540 37.540 40.976 -3.436 19203 957 1 3 . 1 1 34 34 ASP H H 34 8.353 8.353 7.611 0.742 19203 958 1 3 . 1 1 35 35 HIS N N 35 119.654 119.654 119.638 0.016 19203 959 1 3 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.707 -0.600 19203 960 1 3 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.989 -0.665 19203 961 1 3 . 1 1 35 35 HIS CB C 35 30.265 30.265 32.377 -2.112 19203 962 1 3 . 1 1 35 35 HIS H H 35 7.943 7.943 8.268 -0.325 19203 963 1 3 . 1 1 36 36 MET N N 36 111.628 111.628 121.565 -9.937 19203 964 1 3 . 1 1 36 36 MET HA H 36 4.572 4.572 4.646 -0.074 19203 965 1 3 . 1 1 36 36 MET CA C 36 52.172 52.172 55.661 -3.489 19203 966 1 3 . 1 1 36 36 MET CB C 36 31.060 31.060 31.955 -0.895 19203 967 1 3 . 1 1 36 36 MET H H 36 7.812 7.812 8.493 -0.681 19203 968 1 3 . 1 1 37 37 ARG N N 37 119.419 119.419 119.675 -0.256 19203 969 1 3 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.505 0.128 19203 970 1 3 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.518 -1.111 19203 971 1 3 . 1 1 37 37 ARG CB C 37 27.001 27.001 30.598 -3.596 19203 972 1 3 . 1 1 37 37 ARG H H 37 7.929 7.929 8.487 -0.558 19203 973 1 3 . 1 1 38 38 GLU N N 38 118.450 118.450 120.486 -2.036 19203 974 1 3 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.396 -0.409 19203 975 1 3 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.233 -1.646 19203 976 1 3 . 1 1 38 38 GLU CB C 38 27.457 27.457 30.095 -2.638 19203 977 1 3 . 1 1 38 38 GLU H H 38 7.524 7.524 8.665 -1.141 19203 978 1 3 . 1 1 39 39 ALA N N 39 118.496 118.496 119.643 -1.147 19203 979 1 3 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.668 -0.689 19203 980 1 3 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.927 -1.701 19203 981 1 3 . 1 1 39 39 ALA CB C 39 17.657 17.657 20.430 -2.773 19203 982 1 3 . 1 1 39 39 ALA H H 39 7.958 7.958 7.973 -0.015 19203 983 1 3 . 1 1 40 40 GLY N N 40 101.970 101.970 106.211 -4.241 19203 984 1 3 . 1 1 40 40 GLY CA C 40 41.520 41.520 45.260 -3.740 19203 985 1 3 . 1 1 40 40 GLY H H 40 7.172 7.172 7.554 -0.382 19203 986 1 3 . 1 1 41 41 ASP N N 41 116.412 116.412 120.478 -4.066 19203 987 1 3 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.751 -0.300 19203 988 1 3 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.047 0.201 19203 989 1 3 . 1 1 41 41 ASP CB C 41 38.386 38.386 42.837 -4.452 19203 990 1 3 . 1 1 41 41 ASP H H 41 7.917 7.917 8.177 -0.260 19203 991 1 3 . 1 1 42 42 VAL N N 42 128.043 128.043 123.717 4.326 19203 992 1 3 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.062 -0.036 19203 993 1 3 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.789 -1.966 19203 994 1 3 . 1 1 42 42 VAL CB C 42 31.944 31.944 31.253 0.691 19203 995 1 3 . 1 1 42 42 VAL H H 42 8.366 8.366 8.124 0.242 19203 996 1 3 . 1 1 43 43 CYS N N 43 122.686 122.686 127.069 -4.383 19203 997 1 3 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.201 0.578 19203 998 1 3 . 1 1 43 43 CYS CA C 43 54.138 54.138 61.563 -7.426 19203 999 1 3 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.339 -1.684 19203 1000 1 3 . 1 1 43 43 CYS H H 43 8.800 8.800 8.828 -0.028 19203 1001 1 3 . 1 1 44 44 TYR N N 44 122.582 122.582 119.794 2.788 19203 1002 1 3 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.401 0.035 19203 1003 1 3 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.083 -2.295 19203 1004 1 3 . 1 1 44 44 TYR CB C 44 39.803 39.803 39.885 -0.082 19203 1005 1 3 . 1 1 44 44 TYR H H 44 7.420 7.420 7.515 -0.095 19203 1006 1 3 . 1 1 45 45 ALA N N 45 127.108 127.108 124.343 2.765 19203 1007 1 3 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.091 0.850 19203 1008 1 3 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.695 -3.660 19203 1009 1 3 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.224 -0.985 19203 1010 1 3 . 1 1 45 45 ALA H H 45 7.107 7.107 7.478 -0.371 19203 1011 1 3 . 1 1 46 46 ASP N N 46 117.612 117.612 122.028 -4.416 19203 1012 1 3 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.756 -0.133 19203 1013 1 3 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.004 -3.485 19203 1014 1 3 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.939 -3.146 19203 1015 1 3 . 1 1 46 46 ASP H H 46 8.463 8.463 8.468 -0.005 19203 1016 1 3 . 1 1 47 47 VAL N N 47 116.535 116.535 120.528 -3.993 19203 1017 1 3 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.220 0.026 19203 1018 1 3 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.459 -3.402 19203 1019 1 3 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.780 -1.879 19203 1020 1 3 . 1 1 47 47 VAL H H 47 8.096 8.096 8.376 -0.280 19203 1021 1 3 . 1 1 48 48 TYR N N 48 124.428 124.428 124.349 0.079 19203 1022 1 3 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.951 -0.008 19203 1023 1 3 . 1 1 48 48 TYR CA C 48 53.268 53.268 55.811 -2.543 19203 1024 1 3 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.711 -3.526 19203 1025 1 3 . 1 1 48 48 TYR H H 48 8.673 8.673 7.937 0.736 19203 1026 1 3 . 1 1 49 49 ARG N N 49 117.750 117.750 122.761 -5.011 19203 1027 1 3 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.257 -0.068 19203 1028 1 3 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.921 -1.807 19203 1029 1 3 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.740 -2.030 19203 1030 1 3 . 1 1 49 49 ARG H H 49 8.520 8.520 8.906 -0.386 19203 1031 1 3 . 1 1 50 50 ASP N N 50 117.696 117.696 120.465 -2.769 19203 1032 1 3 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.826 -0.246 19203 1033 1 3 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.575 -3.399 19203 1034 1 3 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.803 -4.898 19203 1035 1 3 . 1 1 50 50 ASP H H 50 7.960 7.960 8.311 -0.351 19203 1036 1 3 . 1 1 51 51 GLY N N 51 108.367 108.367 107.194 1.173 19203 1037 1 3 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.024 -1.461 19203 1038 1 3 . 1 1 51 51 GLY H H 51 8.053 8.053 7.595 0.458 19203 1039 1 3 . 1 1 52 52 THR N N 52 109.991 109.991 112.172 -2.181 19203 1040 1 3 . 1 1 52 52 THR HA H 52 5.497 5.497 4.891 0.606 19203 1041 1 3 . 1 1 52 52 THR CA C 52 57.040 57.040 60.265 -3.225 19203 1042 1 3 . 1 1 52 52 THR CB C 52 69.847 69.847 71.981 -2.134 19203 1043 1 3 . 1 1 52 52 THR H H 52 7.637 7.637 6.999 0.638 19203 1044 1 3 . 1 1 53 53 GLY N N 53 105.727 105.727 108.620 -2.893 19203 1045 1 3 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.058 -1.760 19203 1046 1 3 . 1 1 53 53 GLY H H 53 8.801 8.801 8.213 0.588 19203 1047 1 3 . 1 1 54 54 VAL N N 54 117.327 117.327 125.642 -8.315 19203 1048 1 3 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.299 1.058 19203 1049 1 3 . 1 1 54 54 VAL CA C 54 56.820 56.820 63.585 -6.765 19203 1050 1 3 . 1 1 54 54 VAL CB C 54 33.723 33.723 33.059 0.663 19203 1051 1 3 . 1 1 54 54 VAL H H 54 8.585 8.585 8.413 0.172 19203 1052 1 3 . 1 1 55 55 VAL N N 55 120.925 120.925 125.798 -4.873 19203 1053 1 3 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.687 -0.056 19203 1054 1 3 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.788 -2.808 19203 1055 1 3 . 1 1 55 55 VAL CB C 55 32.788 32.788 35.867 -3.079 19203 1056 1 3 . 1 1 55 55 VAL H H 55 8.475 8.475 9.039 -0.564 19203 1057 1 3 . 1 1 56 56 GLU N N 56 123.932 123.932 121.949 1.983 19203 1058 1 3 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.017 -0.019 19203 1059 1 3 . 1 1 56 56 GLU CA C 56 51.359 51.359 56.010 -4.651 19203 1060 1 3 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.334 -4.260 19203 1061 1 3 . 1 1 56 56 GLU H H 56 8.896 8.896 8.797 0.099 19203 1062 1 3 . 1 1 57 57 PHE N N 57 120.441 120.441 123.411 -2.970 19203 1063 1 3 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.959 0.030 19203 1064 1 3 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.148 -2.073 19203 1065 1 3 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.737 -1.457 19203 1066 1 3 . 1 1 57 57 PHE H H 57 8.549 8.549 9.125 -0.576 19203 1067 1 3 . 1 1 58 58 VAL N N 58 125.263 125.263 120.298 4.965 19203 1068 1 3 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.885 -0.313 19203 1069 1 3 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.446 -1.053 19203 1070 1 3 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.343 -2.782 19203 1071 1 3 . 1 1 58 58 VAL H H 58 8.123 8.123 8.276 -0.153 19203 1072 1 3 . 1 1 59 59 ARG N N 59 117.434 117.434 116.838 0.596 19203 1073 1 3 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.652 0.061 19203 1074 1 3 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.789 -2.748 19203 1075 1 3 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.557 -2.949 19203 1076 1 3 . 1 1 59 59 ARG H H 59 9.504 9.504 7.797 1.707 19203 1077 1 3 . 1 1 60 60 LYS N N 60 127.390 127.390 122.573 4.817 19203 1078 1 3 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.174 -0.548 19203 1079 1 3 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.536 -2.111 19203 1080 1 3 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.430 -2.790 19203 1081 1 3 . 1 1 60 60 LYS H H 60 8.955 8.955 8.869 0.086 19203 1082 1 3 . 1 1 61 61 GLU N N 61 117.610 117.610 118.306 -0.696 19203 1083 1 3 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.039 -0.066 19203 1084 1 3 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.080 -3.208 19203 1085 1 3 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.110 -3.019 19203 1086 1 3 . 1 1 61 61 GLU H H 61 9.814 9.814 8.886 0.928 19203 1087 1 3 . 1 1 62 62 ASP N N 62 121.439 121.439 119.807 1.632 19203 1088 1 3 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.649 -0.300 19203 1089 1 3 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.975 -3.552 19203 1090 1 3 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.727 -3.457 19203 1091 1 3 . 1 1 62 62 ASP H H 62 6.760 6.760 7.743 -0.983 19203 1092 1 3 . 1 1 63 63 MET N N 63 120.225 120.225 120.066 0.159 19203 1093 1 3 . 1 1 63 63 MET HA H 63 3.070 3.070 3.643 -0.573 19203 1094 1 3 . 1 1 63 63 MET CA C 63 56.211 56.211 58.177 -1.966 19203 1095 1 3 . 1 1 63 63 MET CB C 63 30.414 30.414 32.137 -1.723 19203 1096 1 3 . 1 1 63 63 MET H H 63 6.863 6.863 8.211 -1.348 19203 1097 1 3 . 1 1 64 64 THR N N 64 113.874 113.874 114.704 -0.830 19203 1098 1 3 . 1 1 64 64 THR HA H 64 3.663 3.663 3.959 -0.296 19203 1099 1 3 . 1 1 64 64 THR CA C 64 63.733 63.733 66.840 -3.107 19203 1100 1 3 . 1 1 64 64 THR CB C 64 65.692 65.692 68.613 -2.921 19203 1101 1 3 . 1 1 64 64 THR H H 64 7.900 7.900 8.517 -0.617 19203 1102 1 3 . 1 1 65 65 TYR N N 65 122.573 122.573 122.889 -0.316 19203 1103 1 3 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.119 -0.114 19203 1104 1 3 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.398 -2.948 19203 1105 1 3 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.075 -2.377 19203 1106 1 3 . 1 1 65 65 TYR H H 65 7.530 7.530 7.797 -0.267 19203 1107 1 3 . 1 1 66 66 ALA N N 66 120.898 120.898 121.827 -0.929 19203 1108 1 3 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.102 -0.464 19203 1109 1 3 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.455 -2.433 19203 1110 1 3 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.727 -1.145 19203 1111 1 3 . 1 1 66 66 ALA H H 66 8.144 8.144 7.981 0.163 19203 1112 1 3 . 1 1 67 67 VAL N N 67 115.474 115.474 115.411 0.063 19203 1113 1 3 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.823 -0.507 19203 1114 1 3 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.410 -1.761 19203 1115 1 3 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.538 -2.076 19203 1116 1 3 . 1 1 67 67 VAL H H 67 7.602 7.602 7.451 0.151 19203 1117 1 3 . 1 1 68 68 ARG N N 68 116.635 116.635 118.930 -2.295 19203 1118 1 3 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.075 -0.033 19203 1119 1 3 . 1 1 68 68 ARG CA C 68 55.989 55.989 58.715 -2.726 19203 1120 1 3 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.082 -1.630 19203 1121 1 3 . 1 1 68 68 ARG H H 68 7.531 7.531 7.385 0.146 19203 1122 1 3 . 1 1 69 69 LYS N N 69 115.566 115.566 117.042 -1.476 19203 1123 1 3 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.382 -0.161 19203 1124 1 3 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.583 -3.014 19203 1125 1 3 . 1 1 69 69 LYS CB C 69 30.993 30.993 33.816 -2.823 19203 1126 1 3 . 1 1 69 69 LYS H H 69 8.664 8.664 7.964 0.700 19203 1127 1 3 . 1 1 70 70 LEU N N 70 114.943 114.943 119.875 -4.932 19203 1128 1 3 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.624 0.202 19203 1129 1 3 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.598 -3.112 19203 1130 1 3 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.464 -4.199 19203 1131 1 3 . 1 1 70 70 LEU H H 70 8.164 8.164 7.960 0.204 19203 1132 1 3 . 1 1 71 71 ASP N N 71 119.864 119.864 118.513 1.351 19203 1133 1 3 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.690 -0.298 19203 1134 1 3 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.410 0.774 19203 1135 1 3 . 1 1 71 71 ASP CB C 71 39.463 39.463 43.001 -3.538 19203 1136 1 3 . 1 1 71 71 ASP H H 71 6.910 6.910 7.647 -0.737 19203 1137 1 3 . 1 1 72 72 ASN N N 72 123.602 123.602 115.066 8.536 19203 1138 1 3 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.468 0.213 19203 1139 1 3 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.028 -2.326 19203 1140 1 3 . 1 1 72 72 ASN CB C 72 35.060 35.060 36.940 -1.880 19203 1141 1 3 . 1 1 72 72 ASN H H 72 9.037 9.037 8.566 0.471 19203 1142 1 3 . 1 1 73 73 THR N N 73 105.063 105.063 107.802 -2.739 19203 1143 1 3 . 1 1 73 73 THR HA H 73 4.674 4.674 4.537 0.137 19203 1144 1 3 . 1 1 73 73 THR CA C 73 57.397 57.397 60.851 -3.454 19203 1145 1 3 . 1 1 73 73 THR CB C 73 70.412 70.412 70.915 -0.503 19203 1146 1 3 . 1 1 73 73 THR H H 73 7.187 7.187 7.754 -0.567 19203 1147 1 3 . 1 1 74 74 LYS N N 74 120.141 120.141 121.001 -0.860 19203 1148 1 3 . 1 1 74 74 LYS HA H 74 3.656 3.656 5.059 -1.403 19203 1149 1 3 . 1 1 74 74 LYS CA C 74 53.833 53.833 55.697 -1.864 19203 1150 1 3 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.506 -4.601 19203 1151 1 3 . 1 1 74 74 LYS H H 74 8.384 8.384 8.440 -0.056 19203 1152 1 3 . 1 1 75 75 PHE N N 75 132.829 132.829 119.675 13.154 19203 1153 1 3 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.132 0.184 19203 1154 1 3 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.916 -3.713 19203 1155 1 3 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.822 -2.366 19203 1156 1 3 . 1 1 75 75 PHE H H 75 9.243 9.243 8.757 0.486 19203 1157 1 3 . 1 1 76 76 ARG N N 76 128.489 128.489 126.057 2.432 19203 1158 1 3 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.287 0.511 19203 1159 1 3 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.883 -3.902 19203 1160 1 3 . 1 1 76 76 ARG CB C 76 30.374 30.374 30.094 0.280 19203 1161 1 3 . 1 1 76 76 ARG H H 76 8.293 8.293 7.760 0.533 19203 1162 1 3 . 1 1 77 77 SER N N 77 120.971 120.971 116.206 4.765 19203 1163 1 3 . 1 1 77 77 SER HA H 77 4.278 4.278 4.664 -0.386 19203 1164 1 3 . 1 1 77 77 SER CA C 77 53.406 53.406 56.175 -2.769 19203 1165 1 3 . 1 1 77 77 SER CB C 77 63.802 63.802 66.041 -2.239 19203 1166 1 3 . 1 1 77 77 SER H H 77 9.107 9.107 8.400 0.707 19203 1167 1 3 . 1 1 78 78 HIS N N 78 118.463 118.463 120.550 -2.087 19203 1168 1 3 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.412 -0.037 19203 1169 1 3 . 1 1 78 78 HIS CA C 78 55.891 55.891 58.343 -2.452 19203 1170 1 3 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.148 -5.909 19203 1171 1 3 . 1 1 78 78 HIS H H 78 9.696 9.696 8.776 0.920 19203 1172 1 3 . 1 1 79 79 GLU N N 79 116.714 116.714 118.131 -1.417 19203 1173 1 3 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.314 0.029 19203 1174 1 3 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.833 -2.893 19203 1175 1 3 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.736 -2.223 19203 1176 1 3 . 1 1 79 79 GLU H H 79 7.053 7.053 7.798 -0.745 19203 1177 1 3 . 1 1 80 80 GLY N N 80 108.106 108.106 107.704 0.402 19203 1178 1 3 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.409 -2.772 19203 1179 1 3 . 1 1 80 80 GLY H H 80 7.835 7.835 7.900 -0.065 19203 1180 1 3 . 1 1 81 81 GLU N N 81 119.017 119.017 117.610 1.407 19203 1181 1 3 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.723 -0.389 19203 1182 1 3 . 1 1 81 81 GLU CA C 81 53.727 53.727 53.995 -0.267 19203 1183 1 3 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.857 -2.379 19203 1184 1 3 . 1 1 81 81 GLU H H 81 7.067 7.067 8.034 -0.967 19203 1185 1 3 . 1 1 82 82 THR N N 82 114.312 114.312 112.500 1.812 19203 1186 1 3 . 1 1 82 82 THR HA H 82 5.771 5.771 5.126 0.645 19203 1187 1 3 . 1 1 82 82 THR CA C 82 56.694 56.694 60.743 -4.049 19203 1188 1 3 . 1 1 82 82 THR CB C 82 69.359 69.359 70.765 -1.406 19203 1189 1 3 . 1 1 82 82 THR H H 82 8.499 8.499 8.314 0.185 19203 1190 1 3 . 1 1 83 83 ALA N N 83 123.125 123.125 128.885 -5.760 19203 1191 1 3 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.692 -0.251 19203 1192 1 3 . 1 1 83 83 ALA CA C 83 49.097 49.097 51.209 -2.112 19203 1193 1 3 . 1 1 83 83 ALA CB C 83 21.499 21.499 20.888 0.611 19203 1194 1 3 . 1 1 83 83 ALA H H 83 8.674 8.674 8.692 -0.018 19203 1195 1 3 . 1 1 84 84 TYR N N 84 120.587 120.587 116.572 4.015 19203 1196 1 3 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.552 -0.579 19203 1197 1 3 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.399 0.501 19203 1198 1 3 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.970 -3.818 19203 1199 1 3 . 1 1 84 84 TYR H H 84 8.708 8.708 8.234 0.474 19203 1200 1 3 . 1 1 85 85 ILE N N 85 116.081 116.081 115.353 0.728 19203 1201 1 3 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.103 -0.251 19203 1202 1 3 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.496 -1.567 19203 1203 1 3 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.428 -4.053 19203 1204 1 3 . 1 1 85 85 ILE H H 85 8.182 8.182 8.428 -0.246 19203 1205 1 3 . 1 1 86 86 ARG N N 86 117.289 117.289 118.677 -1.388 19203 1206 1 3 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.105 0.132 19203 1207 1 3 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.070 -4.923 19203 1208 1 3 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.623 -7.150 19203 1209 1 3 . 1 1 86 86 ARG H H 86 8.250 8.250 8.085 0.165 19203 1210 1 3 . 1 1 87 87 VAL N N 87 121.679 121.679 122.895 -1.216 19203 1211 1 3 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.257 0.376 19203 1212 1 3 . 1 1 87 87 VAL CA C 87 58.639 58.639 62.049 -3.410 19203 1213 1 3 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.689 -0.060 19203 1214 1 3 . 1 1 87 87 VAL H H 87 8.983 8.983 9.347 -0.364 19203 1215 1 3 . 1 1 88 88 LYS N N 88 123.579 123.579 126.614 -3.035 19203 1216 1 3 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.728 0.025 19203 1217 1 3 . 1 1 88 88 LYS CA C 88 51.898 51.898 53.692 -1.794 19203 1218 1 3 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.169 -1.026 19203 1219 1 3 . 1 1 88 88 LYS H H 88 8.679 8.679 7.823 0.856 19203 1220 1 3 . 1 1 89 89 VAL N N 89 119.787 119.787 119.868 -0.081 19203 1221 1 3 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.015 0.110 19203 1222 1 3 . 1 1 89 89 VAL CA C 89 61.040 61.040 63.048 -2.008 19203 1223 1 3 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.106 -1.765 19203 1224 1 3 . 1 1 89 89 VAL H H 89 8.454 8.454 8.410 0.044 19203 1225 1 4 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.232 -0.699 19203 1226 1 4 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.236 -3.351 19203 1227 1 4 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.105 -4.483 19203 1228 1 4 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.760 0.066 19203 1229 1 4 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.577 -4.268 19203 1230 1 4 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.443 -4.651 19203 1231 1 4 . 1 1 4 4 ARG N N 4 121.678 121.678 119.194 2.484 19203 1232 1 4 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.532 -0.311 19203 1233 1 4 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.326 -1.751 19203 1234 1 4 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.026 -2.558 19203 1235 1 4 . 1 1 4 4 ARG H H 4 8.483 8.483 8.291 0.192 19203 1236 1 4 . 1 1 5 5 GLY N N 5 109.928 109.928 107.950 1.978 19203 1237 1 4 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.099 -2.431 19203 1238 1 4 . 1 1 5 5 GLY H H 5 8.344 8.344 8.686 -0.342 19203 1239 1 4 . 1 1 6 6 ARG N N 6 120.896 120.896 118.302 2.594 19203 1240 1 4 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.524 -0.382 19203 1241 1 4 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.361 -1.842 19203 1242 1 4 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.365 -2.147 19203 1243 1 4 . 1 1 6 6 ARG H H 6 8.144 8.144 8.338 -0.194 19203 1244 1 4 . 1 1 7 7 TYR N N 7 121.118 121.118 119.857 1.261 19203 1245 1 4 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.810 -0.250 19203 1246 1 4 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.109 -3.304 19203 1247 1 4 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.941 -3.437 19203 1248 1 4 . 1 1 7 7 TYR H H 7 8.218 8.218 7.507 0.711 19203 1249 1 4 . 1 1 8 8 GLY N N 8 110.613 110.613 112.556 -1.943 19203 1250 1 4 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.690 -2.785 19203 1251 1 4 . 1 1 8 8 GLY H H 8 8.021 8.021 8.421 -0.400 19203 1252 1 4 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.764 -0.197 19203 1253 1 4 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.834 -3.034 19203 1254 1 4 . 1 1 9 9 PRO CB C 9 28.361 28.361 30.854 -2.493 19203 1255 1 4 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.589 -0.225 19203 1256 1 4 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.914 -2.500 19203 1257 1 4 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.273 -0.806 19203 1258 1 4 . 1 1 11 11 SER N N 11 116.042 116.042 118.603 -2.561 19203 1259 1 4 . 1 1 11 11 SER HA H 11 4.394 4.394 4.703 -0.309 19203 1260 1 4 . 1 1 11 11 SER CA C 11 55.641 55.641 57.998 -2.357 19203 1261 1 4 . 1 1 11 11 SER CB C 11 61.349 61.349 64.738 -3.389 19203 1262 1 4 . 1 1 11 11 SER H H 11 8.263 8.263 8.152 0.111 19203 1263 1 4 . 1 1 12 12 ARG N N 12 123.432 123.432 122.933 0.499 19203 1264 1 4 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.370 -0.081 19203 1265 1 4 . 1 1 12 12 ARG CA C 12 53.311 53.311 56.461 -3.150 19203 1266 1 4 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.790 -2.064 19203 1267 1 4 . 1 1 12 12 ARG H H 12 8.317 8.317 8.428 -0.111 19203 1268 1 4 . 1 1 13 13 ARG N N 13 119.550 119.550 118.864 0.686 19203 1269 1 4 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.803 -2.220 19203 1270 1 4 . 1 1 13 13 ARG H H 13 7.967 7.967 8.616 -0.649 19203 1271 1 4 . 1 1 14 14 SER N N 14 117.366 117.366 113.066 4.300 19203 1272 1 4 . 1 1 14 14 SER HA H 14 4.588 4.588 4.585 0.003 19203 1273 1 4 . 1 1 14 14 SER CA C 14 54.505 54.505 57.715 -3.210 19203 1274 1 4 . 1 1 14 14 SER CB C 14 63.906 63.906 64.828 -0.922 19203 1275 1 4 . 1 1 14 14 SER H H 14 8.660 8.660 7.887 0.773 19203 1276 1 4 . 1 1 15 15 GLU N N 15 116.212 116.212 121.930 -5.718 19203 1277 1 4 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.235 0.077 19203 1278 1 4 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.894 -3.947 19203 1279 1 4 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.750 -0.643 19203 1280 1 4 . 1 1 15 15 GLU H H 15 8.472 8.472 8.797 -0.325 19203 1281 1 4 . 1 1 16 16 ASN N N 16 120.295 120.295 116.529 3.766 19203 1282 1 4 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.915 0.082 19203 1283 1 4 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.423 -2.492 19203 1284 1 4 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.006 -5.695 19203 1285 1 4 . 1 1 16 16 ASN H H 16 8.326 8.326 8.095 0.231 19203 1286 1 4 . 1 1 17 17 ARG N N 17 123.774 123.774 120.885 2.889 19203 1287 1 4 . 1 1 17 17 ARG HA H 17 5.269 5.269 5.014 0.255 19203 1288 1 4 . 1 1 17 17 ARG CA C 17 52.840 52.840 54.833 -1.993 19203 1289 1 4 . 1 1 17 17 ARG CB C 17 31.422 31.422 34.179 -2.757 19203 1290 1 4 . 1 1 17 17 ARG H H 17 7.726 7.726 7.665 0.061 19203 1291 1 4 . 1 1 18 18 VAL N N 18 117.634 117.634 120.697 -3.063 19203 1292 1 4 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.615 0.427 19203 1293 1 4 . 1 1 18 18 VAL CA C 18 56.090 56.090 60.016 -3.926 19203 1294 1 4 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.210 -3.464 19203 1295 1 4 . 1 1 18 18 VAL H H 18 9.197 9.197 8.884 0.313 19203 1296 1 4 . 1 1 19 19 VAL N N 19 119.956 119.956 119.423 0.533 19203 1297 1 4 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.678 0.247 19203 1298 1 4 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.969 -3.198 19203 1299 1 4 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.940 -4.365 19203 1300 1 4 . 1 1 19 19 VAL H H 19 9.111 9.111 7.891 1.220 19203 1301 1 4 . 1 1 20 20 VAL N N 20 125.976 125.976 121.333 4.643 19203 1302 1 4 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.176 0.193 19203 1303 1 4 . 1 1 20 20 VAL CA C 20 56.514 56.514 59.847 -3.333 19203 1304 1 4 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.785 -3.738 19203 1305 1 4 . 1 1 20 20 VAL H H 20 8.678 8.678 8.893 -0.215 19203 1306 1 4 . 1 1 21 21 SER N N 21 117.905 117.905 116.386 1.519 19203 1307 1 4 . 1 1 21 21 SER HA H 21 5.075 5.075 5.195 -0.120 19203 1308 1 4 . 1 1 21 21 SER CA C 21 54.228 54.228 56.490 -2.262 19203 1309 1 4 . 1 1 21 21 SER CB C 21 63.312 63.312 66.626 -3.314 19203 1310 1 4 . 1 1 21 21 SER H H 21 8.917 8.917 8.735 0.182 19203 1311 1 4 . 1 1 22 22 GLY N N 22 108.144 108.144 107.509 0.635 19203 1312 1 4 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.019 -2.554 19203 1313 1 4 . 1 1 22 22 GLY H H 22 8.079 8.079 8.627 -0.548 19203 1314 1 4 . 1 1 23 23 LEU N N 23 119.379 119.379 121.897 -2.518 19203 1315 1 4 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.003 -0.580 19203 1316 1 4 . 1 1 23 23 LEU CA C 23 50.873 50.873 52.944 -2.071 19203 1317 1 4 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.111 -2.033 19203 1318 1 4 . 1 1 23 23 LEU H H 23 8.485 8.485 7.084 1.401 19203 1319 1 4 . 1 1 24 24 PRO CB C 24 27.899 27.899 31.171 -3.272 19203 1320 1 4 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.338 -0.080 19203 1321 1 4 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.604 -1.845 19203 1322 1 4 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.640 -2.411 19203 1323 1 4 . 1 1 26 26 SER N N 26 106.249 106.249 112.146 -5.897 19203 1324 1 4 . 1 1 26 26 SER HA H 26 4.319 4.319 4.619 -0.300 19203 1325 1 4 . 1 1 26 26 SER CA C 26 55.722 55.722 58.010 -2.288 19203 1326 1 4 . 1 1 26 26 SER CB C 26 61.171 61.171 64.090 -2.919 19203 1327 1 4 . 1 1 26 26 SER H H 26 7.309 7.309 7.697 -0.388 19203 1328 1 4 . 1 1 27 27 GLY N N 27 107.883 107.883 110.982 -3.099 19203 1329 1 4 . 1 1 27 27 GLY CA C 27 44.204 44.204 45.491 -1.287 19203 1330 1 4 . 1 1 27 27 GLY H H 27 8.075 8.075 7.757 0.318 19203 1331 1 4 . 1 1 28 28 SER N N 28 123.917 123.917 119.653 4.264 19203 1332 1 4 . 1 1 28 28 SER HA H 28 4.903 4.903 4.582 0.321 19203 1333 1 4 . 1 1 28 28 SER CA C 28 53.260 53.260 56.979 -3.719 19203 1334 1 4 . 1 1 28 28 SER CB C 28 64.609 64.609 65.295 -0.686 19203 1335 1 4 . 1 1 28 28 SER H H 28 9.021 9.021 8.087 0.934 19203 1336 1 4 . 1 1 29 29 TRP N N 29 120.079 120.079 121.262 -1.183 19203 1337 1 4 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.367 -0.343 19203 1338 1 4 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.722 -1.658 19203 1339 1 4 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.594 -3.372 19203 1340 1 4 . 1 1 29 29 TRP H H 29 9.042 9.042 8.469 0.573 19203 1341 1 4 . 1 1 30 30 GLN N N 30 123.085 123.085 120.461 2.624 19203 1342 1 4 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.952 -0.758 19203 1343 1 4 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.374 -2.408 19203 1344 1 4 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.418 -2.734 19203 1345 1 4 . 1 1 30 30 GLN H H 30 7.587 7.587 7.854 -0.267 19203 1346 1 4 . 1 1 31 31 ASP N N 31 120.127 120.127 120.147 -0.020 19203 1347 1 4 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.340 -0.190 19203 1348 1 4 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.231 -2.896 19203 1349 1 4 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.904 -1.632 19203 1350 1 4 . 1 1 31 31 ASP H H 31 7.697 7.697 7.610 0.087 19203 1351 1 4 . 1 1 32 32 LEU N N 32 122.010 122.010 121.529 0.481 19203 1352 1 4 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.315 -0.110 19203 1353 1 4 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.326 -2.787 19203 1354 1 4 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.651 -2.650 19203 1355 1 4 . 1 1 32 32 LEU H H 32 8.260 8.260 8.191 0.069 19203 1356 1 4 . 1 1 33 33 LYS N N 33 120.333 120.333 118.166 2.167 19203 1357 1 4 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.044 -0.532 19203 1358 1 4 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.746 -1.261 19203 1359 1 4 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.434 -2.795 19203 1360 1 4 . 1 1 33 33 LYS H H 33 8.506 8.506 8.409 0.097 19203 1361 1 4 . 1 1 34 34 ASP N N 34 117.666 117.666 117.133 0.533 19203 1362 1 4 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.618 -0.335 19203 1363 1 4 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.056 -1.174 19203 1364 1 4 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.016 -3.476 19203 1365 1 4 . 1 1 34 34 ASP H H 34 8.353 8.353 7.740 0.613 19203 1366 1 4 . 1 1 35 35 HIS N N 35 119.654 119.654 119.410 0.244 19203 1367 1 4 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.587 -0.480 19203 1368 1 4 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.251 -0.927 19203 1369 1 4 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.807 -1.542 19203 1370 1 4 . 1 1 35 35 HIS H H 35 7.943 7.943 8.041 -0.098 19203 1371 1 4 . 1 1 36 36 MET N N 36 111.628 111.628 120.278 -8.650 19203 1372 1 4 . 1 1 36 36 MET HA H 36 4.572 4.572 4.376 0.196 19203 1373 1 4 . 1 1 36 36 MET CA C 36 52.172 52.172 58.132 -5.960 19203 1374 1 4 . 1 1 36 36 MET CB C 36 31.060 31.060 32.786 -1.726 19203 1375 1 4 . 1 1 36 36 MET H H 36 7.812 7.812 8.727 -0.915 19203 1376 1 4 . 1 1 37 37 ARG N N 37 119.419 119.419 119.250 0.169 19203 1377 1 4 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.195 0.438 19203 1378 1 4 . 1 1 37 37 ARG CA C 37 55.407 55.407 58.392 -2.985 19203 1379 1 4 . 1 1 37 37 ARG CB C 37 27.001 27.001 28.648 -1.647 19203 1380 1 4 . 1 1 37 37 ARG H H 37 7.929 7.929 8.209 -0.280 19203 1381 1 4 . 1 1 38 38 GLU N N 38 118.450 118.450 121.452 -3.002 19203 1382 1 4 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.089 -0.102 19203 1383 1 4 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.789 -3.202 19203 1384 1 4 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.420 -1.963 19203 1385 1 4 . 1 1 38 38 GLU H H 38 7.524 7.524 7.697 -0.173 19203 1386 1 4 . 1 1 39 39 ALA N N 39 118.496 118.496 117.588 0.908 19203 1387 1 4 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.628 -0.649 19203 1388 1 4 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.797 -2.571 19203 1389 1 4 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.922 -2.265 19203 1390 1 4 . 1 1 39 39 ALA H H 39 7.958 7.958 7.639 0.319 19203 1391 1 4 . 1 1 40 40 GLY N N 40 101.970 101.970 105.770 -3.800 19203 1392 1 4 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.414 -2.894 19203 1393 1 4 . 1 1 40 40 GLY H H 40 7.172 7.172 7.674 -0.502 19203 1394 1 4 . 1 1 41 41 ASP N N 41 116.412 116.412 124.672 -8.260 19203 1395 1 4 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.829 -0.378 19203 1396 1 4 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.590 -0.342 19203 1397 1 4 . 1 1 41 41 ASP CB C 41 38.386 38.386 40.160 -1.774 19203 1398 1 4 . 1 1 41 41 ASP H H 41 7.917 7.917 8.780 -0.863 19203 1399 1 4 . 1 1 42 42 VAL N N 42 128.043 128.043 120.591 7.452 19203 1400 1 4 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.394 0.632 19203 1401 1 4 . 1 1 42 42 VAL CA C 42 58.823 58.823 63.187 -4.364 19203 1402 1 4 . 1 1 42 42 VAL CB C 42 31.944 31.944 32.069 -0.125 19203 1403 1 4 . 1 1 42 42 VAL H H 42 8.366 8.366 7.671 0.695 19203 1404 1 4 . 1 1 43 43 CYS N N 43 122.686 122.686 123.141 -0.455 19203 1405 1 4 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.615 0.164 19203 1406 1 4 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.643 -3.505 19203 1407 1 4 . 1 1 43 43 CYS CB C 43 26.655 26.655 30.030 -3.375 19203 1408 1 4 . 1 1 43 43 CYS H H 43 8.800 8.800 8.703 0.097 19203 1409 1 4 . 1 1 44 44 TYR N N 44 122.582 122.582 120.458 2.124 19203 1410 1 4 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.606 -0.170 19203 1411 1 4 . 1 1 44 44 TYR CA C 44 55.788 55.788 56.983 -1.195 19203 1412 1 4 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.789 -1.986 19203 1413 1 4 . 1 1 44 44 TYR H H 44 7.420 7.420 7.720 -0.300 19203 1414 1 4 . 1 1 45 45 ALA N N 45 127.108 127.108 127.069 0.039 19203 1415 1 4 . 1 1 45 45 ALA HA H 45 4.941 4.941 5.043 -0.102 19203 1416 1 4 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.068 -3.033 19203 1417 1 4 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.214 -1.975 19203 1418 1 4 . 1 1 45 45 ALA H H 45 7.107 7.107 7.962 -0.855 19203 1419 1 4 . 1 1 46 46 ASP N N 46 117.612 117.612 120.326 -2.714 19203 1420 1 4 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.892 -0.269 19203 1421 1 4 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.612 -3.093 19203 1422 1 4 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.656 -2.863 19203 1423 1 4 . 1 1 46 46 ASP H H 46 8.463 8.463 8.806 -0.343 19203 1424 1 4 . 1 1 47 47 VAL N N 47 116.535 116.535 117.458 -0.923 19203 1425 1 4 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.332 -0.086 19203 1426 1 4 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.458 -2.401 19203 1427 1 4 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.506 -2.605 19203 1428 1 4 . 1 1 47 47 VAL H H 47 8.096 8.096 8.314 -0.218 19203 1429 1 4 . 1 1 48 48 TYR N N 48 124.428 124.428 116.961 7.467 19203 1430 1 4 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.959 -0.016 19203 1431 1 4 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.337 -3.069 19203 1432 1 4 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.333 -3.147 19203 1433 1 4 . 1 1 48 48 TYR H H 48 8.673 8.673 7.528 1.145 19203 1434 1 4 . 1 1 49 49 ARG N N 49 117.750 117.750 121.357 -3.607 19203 1435 1 4 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.332 -0.143 19203 1436 1 4 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.628 -1.514 19203 1437 1 4 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.226 -2.516 19203 1438 1 4 . 1 1 49 49 ARG H H 49 8.520 8.520 8.745 -0.225 19203 1439 1 4 . 1 1 50 50 ASP N N 50 117.696 117.696 119.115 -1.419 19203 1440 1 4 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.813 -0.233 19203 1441 1 4 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.243 -3.067 19203 1442 1 4 . 1 1 50 50 ASP CB C 50 37.905 37.905 44.523 -6.618 19203 1443 1 4 . 1 1 50 50 ASP H H 50 7.960 7.960 7.982 -0.022 19203 1444 1 4 . 1 1 51 51 GLY N N 51 108.367 108.367 108.567 -0.200 19203 1445 1 4 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.048 -1.485 19203 1446 1 4 . 1 1 51 51 GLY H H 51 8.053 8.053 8.662 -0.609 19203 1447 1 4 . 1 1 52 52 THR N N 52 109.991 109.991 113.397 -3.406 19203 1448 1 4 . 1 1 52 52 THR HA H 52 5.497 5.497 4.812 0.685 19203 1449 1 4 . 1 1 52 52 THR CA C 52 57.040 57.040 60.493 -3.453 19203 1450 1 4 . 1 1 52 52 THR CB C 52 69.847 69.847 72.319 -2.472 19203 1451 1 4 . 1 1 52 52 THR H H 52 7.637 7.637 7.459 0.178 19203 1452 1 4 . 1 1 53 53 GLY N N 53 105.727 105.727 107.779 -2.052 19203 1453 1 4 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.405 -1.107 19203 1454 1 4 . 1 1 53 53 GLY H H 53 8.801 8.801 8.687 0.114 19203 1455 1 4 . 1 1 54 54 VAL N N 54 117.327 117.327 119.391 -2.064 19203 1456 1 4 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.795 0.562 19203 1457 1 4 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.466 -4.646 19203 1458 1 4 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.356 -2.633 19203 1459 1 4 . 1 1 54 54 VAL H H 54 8.585 8.585 8.991 -0.406 19203 1460 1 4 . 1 1 55 55 VAL N N 55 120.925 120.925 122.525 -1.600 19203 1461 1 4 . 1 1 55 55 VAL HA H 55 4.631 4.631 5.135 -0.504 19203 1462 1 4 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.347 -2.367 19203 1463 1 4 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.917 -4.129 19203 1464 1 4 . 1 1 55 55 VAL H H 55 8.475 8.475 9.075 -0.600 19203 1465 1 4 . 1 1 56 56 GLU N N 56 123.932 123.932 121.183 2.749 19203 1466 1 4 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.087 -0.089 19203 1467 1 4 . 1 1 56 56 GLU CA C 56 51.359 51.359 54.776 -3.417 19203 1468 1 4 . 1 1 56 56 GLU CB C 56 29.074 29.074 34.182 -5.109 19203 1469 1 4 . 1 1 56 56 GLU H H 56 8.896 8.896 8.631 0.265 19203 1470 1 4 . 1 1 57 57 PHE N N 57 120.441 120.441 123.153 -2.712 19203 1471 1 4 . 1 1 57 57 PHE HA H 57 4.989 4.989 5.274 -0.285 19203 1472 1 4 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.055 -0.980 19203 1473 1 4 . 1 1 57 57 PHE CB C 57 39.280 39.280 42.432 -3.152 19203 1474 1 4 . 1 1 57 57 PHE H H 57 8.549 8.549 9.187 -0.638 19203 1475 1 4 . 1 1 58 58 VAL N N 58 125.263 125.263 118.429 6.834 19203 1476 1 4 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.983 -0.411 19203 1477 1 4 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.000 0.393 19203 1478 1 4 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.205 -2.644 19203 1479 1 4 . 1 1 58 58 VAL H H 58 8.123 8.123 8.834 -0.711 19203 1480 1 4 . 1 1 59 59 ARG N N 59 117.434 117.434 117.270 0.164 19203 1481 1 4 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.704 0.009 19203 1482 1 4 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.278 -3.237 19203 1483 1 4 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.141 -3.533 19203 1484 1 4 . 1 1 59 59 ARG H H 59 9.504 9.504 7.621 1.883 19203 1485 1 4 . 1 1 60 60 LYS N N 60 127.390 127.390 122.957 4.433 19203 1486 1 4 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.031 -0.405 19203 1487 1 4 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.346 -1.921 19203 1488 1 4 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.476 -2.836 19203 1489 1 4 . 1 1 60 60 LYS H H 60 8.955 8.955 8.857 0.098 19203 1490 1 4 . 1 1 61 61 GLU N N 61 117.610 117.610 119.277 -1.667 19203 1491 1 4 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.083 -0.110 19203 1492 1 4 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.151 -3.279 19203 1493 1 4 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.104 -3.013 19203 1494 1 4 . 1 1 61 61 GLU H H 61 9.814 9.814 8.741 1.073 19203 1495 1 4 . 1 1 62 62 ASP N N 62 121.439 121.439 120.411 1.028 19203 1496 1 4 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.497 -0.148 19203 1497 1 4 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.606 -4.183 19203 1498 1 4 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.568 -3.298 19203 1499 1 4 . 1 1 62 62 ASP H H 62 6.760 6.760 8.452 -1.692 19203 1500 1 4 . 1 1 63 63 MET N N 63 120.225 120.225 119.598 0.627 19203 1501 1 4 . 1 1 63 63 MET HA H 63 3.070 3.070 3.034 0.036 19203 1502 1 4 . 1 1 63 63 MET CA C 63 56.211 56.211 59.007 -2.796 19203 1503 1 4 . 1 1 63 63 MET CB C 63 30.414 30.414 32.510 -2.096 19203 1504 1 4 . 1 1 63 63 MET H H 63 6.863 6.863 8.351 -1.488 19203 1505 1 4 . 1 1 64 64 THR N N 64 113.874 113.874 115.495 -1.621 19203 1506 1 4 . 1 1 64 64 THR HA H 64 3.663 3.663 3.933 -0.270 19203 1507 1 4 . 1 1 64 64 THR CA C 64 63.733 63.733 66.828 -3.095 19203 1508 1 4 . 1 1 64 64 THR CB C 64 65.692 65.692 68.523 -2.831 19203 1509 1 4 . 1 1 64 64 THR H H 64 7.900 7.900 8.134 -0.234 19203 1510 1 4 . 1 1 65 65 TYR N N 65 122.573 122.573 122.249 0.324 19203 1511 1 4 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.043 -0.038 19203 1512 1 4 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.532 -3.082 19203 1513 1 4 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.244 -2.546 19203 1514 1 4 . 1 1 65 65 TYR H H 65 7.530 7.530 8.422 -0.892 19203 1515 1 4 . 1 1 66 66 ALA N N 66 120.898 120.898 121.494 -0.596 19203 1516 1 4 . 1 1 66 66 ALA HA H 66 3.638 3.638 3.996 -0.358 19203 1517 1 4 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.211 -2.189 19203 1518 1 4 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.101 -1.519 19203 1519 1 4 . 1 1 66 66 ALA H H 66 8.144 8.144 7.762 0.382 19203 1520 1 4 . 1 1 67 67 VAL N N 67 115.474 115.474 116.095 -0.621 19203 1521 1 4 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.748 -0.432 19203 1522 1 4 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.957 -1.308 19203 1523 1 4 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.546 -2.084 19203 1524 1 4 . 1 1 67 67 VAL H H 67 7.602 7.602 7.555 0.047 19203 1525 1 4 . 1 1 68 68 ARG N N 68 116.635 116.635 117.407 -0.772 19203 1526 1 4 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.223 -0.181 19203 1527 1 4 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.966 -0.977 19203 1528 1 4 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.390 -1.938 19203 1529 1 4 . 1 1 68 68 ARG H H 68 7.531 7.531 7.525 0.006 19203 1530 1 4 . 1 1 69 69 LYS N N 69 115.566 115.566 115.427 0.139 19203 1531 1 4 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.459 -0.238 19203 1532 1 4 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.107 -2.538 19203 1533 1 4 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.087 -3.094 19203 1534 1 4 . 1 1 69 69 LYS H H 69 8.664 8.664 7.587 1.077 19203 1535 1 4 . 1 1 70 70 LEU N N 70 114.943 114.943 120.285 -5.342 19203 1536 1 4 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.668 0.158 19203 1537 1 4 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.483 -3.997 19203 1538 1 4 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.871 -3.606 19203 1539 1 4 . 1 1 70 70 LEU H H 70 8.164 8.164 8.323 -0.159 19203 1540 1 4 . 1 1 71 71 ASP N N 71 119.864 119.864 119.580 0.284 19203 1541 1 4 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.687 -0.295 19203 1542 1 4 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.632 0.552 19203 1543 1 4 . 1 1 71 71 ASP CB C 71 39.463 39.463 43.001 -3.538 19203 1544 1 4 . 1 1 71 71 ASP H H 71 6.910 6.910 7.674 -0.764 19203 1545 1 4 . 1 1 72 72 ASN N N 72 123.602 123.602 117.025 6.577 19203 1546 1 4 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.615 0.066 19203 1547 1 4 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.567 -2.865 19203 1548 1 4 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.823 -2.763 19203 1549 1 4 . 1 1 72 72 ASN H H 72 9.037 9.037 8.585 0.452 19203 1550 1 4 . 1 1 73 73 THR N N 73 105.063 105.063 107.484 -2.421 19203 1551 1 4 . 1 1 73 73 THR HA H 73 4.674 4.674 4.404 0.270 19203 1552 1 4 . 1 1 73 73 THR CA C 73 57.397 57.397 61.826 -4.429 19203 1553 1 4 . 1 1 73 73 THR CB C 73 70.412 70.412 70.437 -0.025 19203 1554 1 4 . 1 1 73 73 THR H H 73 7.187 7.187 7.423 -0.236 19203 1555 1 4 . 1 1 74 74 LYS N N 74 120.141 120.141 120.884 -0.743 19203 1556 1 4 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.717 -1.061 19203 1557 1 4 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.328 -3.495 19203 1558 1 4 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.421 -4.516 19203 1559 1 4 . 1 1 74 74 LYS H H 74 8.384 8.384 8.510 -0.126 19203 1560 1 4 . 1 1 75 75 PHE N N 75 132.829 132.829 118.226 14.603 19203 1561 1 4 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.326 -0.010 19203 1562 1 4 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.314 -3.111 19203 1563 1 4 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.814 -2.358 19203 1564 1 4 . 1 1 75 75 PHE H H 75 9.243 9.243 8.511 0.732 19203 1565 1 4 . 1 1 76 76 ARG N N 76 128.489 128.489 126.297 2.192 19203 1566 1 4 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.281 0.517 19203 1567 1 4 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.903 -3.922 19203 1568 1 4 . 1 1 76 76 ARG CB C 76 30.374 30.374 29.486 0.888 19203 1569 1 4 . 1 1 76 76 ARG H H 76 8.293 8.293 7.284 1.009 19203 1570 1 4 . 1 1 77 77 SER N N 77 120.971 120.971 117.902 3.069 19203 1571 1 4 . 1 1 77 77 SER HA H 77 4.278 4.278 4.679 -0.401 19203 1572 1 4 . 1 1 77 77 SER CA C 77 53.406 53.406 56.237 -2.831 19203 1573 1 4 . 1 1 77 77 SER CB C 77 63.802 63.802 65.057 -1.255 19203 1574 1 4 . 1 1 77 77 SER H H 77 9.107 9.107 8.488 0.619 19203 1575 1 4 . 1 1 78 78 HIS N N 78 118.463 118.463 121.886 -3.423 19203 1576 1 4 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.532 -0.157 19203 1577 1 4 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.426 -1.535 19203 1578 1 4 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.174 -5.935 19203 1579 1 4 . 1 1 78 78 HIS H H 78 9.696 9.696 9.045 0.651 19203 1580 1 4 . 1 1 79 79 GLU N N 79 116.714 116.714 119.849 -3.135 19203 1581 1 4 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.311 0.032 19203 1582 1 4 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.957 -3.017 19203 1583 1 4 . 1 1 79 79 GLU CB C 79 27.513 27.513 28.771 -1.258 19203 1584 1 4 . 1 1 79 79 GLU H H 79 7.053 7.053 7.893 -0.840 19203 1585 1 4 . 1 1 80 80 GLY N N 80 108.106 108.106 108.163 -0.057 19203 1586 1 4 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.472 -2.836 19203 1587 1 4 . 1 1 80 80 GLY H H 80 7.835 7.835 7.872 -0.037 19203 1588 1 4 . 1 1 81 81 GLU N N 81 119.017 119.017 117.130 1.887 19203 1589 1 4 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.736 -0.402 19203 1590 1 4 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.301 -0.574 19203 1591 1 4 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.790 -2.312 19203 1592 1 4 . 1 1 81 81 GLU H H 81 7.067 7.067 7.901 -0.834 19203 1593 1 4 . 1 1 82 82 THR N N 82 114.312 114.312 112.019 2.293 19203 1594 1 4 . 1 1 82 82 THR HA H 82 5.771 5.771 5.123 0.648 19203 1595 1 4 . 1 1 82 82 THR CA C 82 56.694 56.694 60.938 -4.244 19203 1596 1 4 . 1 1 82 82 THR CB C 82 69.359 69.359 71.750 -2.391 19203 1597 1 4 . 1 1 82 82 THR H H 82 8.499 8.499 8.289 0.210 19203 1598 1 4 . 1 1 83 83 ALA N N 83 123.125 123.125 127.469 -4.344 19203 1599 1 4 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.889 -0.448 19203 1600 1 4 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.285 -1.188 19203 1601 1 4 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.542 -0.043 19203 1602 1 4 . 1 1 83 83 ALA H H 83 8.674 8.674 8.250 0.424 19203 1603 1 4 . 1 1 84 84 TYR N N 84 120.587 120.587 116.321 4.266 19203 1604 1 4 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.528 -0.555 19203 1605 1 4 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.046 -0.146 19203 1606 1 4 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.056 -3.904 19203 1607 1 4 . 1 1 84 84 TYR H H 84 8.708 8.708 8.272 0.436 19203 1608 1 4 . 1 1 85 85 ILE N N 85 116.081 116.081 113.033 3.048 19203 1609 1 4 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.098 -0.246 19203 1610 1 4 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.742 -1.813 19203 1611 1 4 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.625 -4.250 19203 1612 1 4 . 1 1 85 85 ILE H H 85 8.182 8.182 8.921 -0.739 19203 1613 1 4 . 1 1 86 86 ARG N N 86 117.289 117.289 119.975 -2.686 19203 1614 1 4 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.865 0.372 19203 1615 1 4 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.197 -5.050 19203 1616 1 4 . 1 1 86 86 ARG CB C 86 27.473 27.473 33.672 -6.199 19203 1617 1 4 . 1 1 86 86 ARG H H 86 8.250 8.250 8.561 -0.311 19203 1618 1 4 . 1 1 87 87 VAL N N 87 121.679 121.679 124.332 -2.653 19203 1619 1 4 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.523 0.110 19203 1620 1 4 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.546 -1.907 19203 1621 1 4 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.728 -1.099 19203 1622 1 4 . 1 1 87 87 VAL H H 87 8.983 8.983 8.563 0.420 19203 1623 1 4 . 1 1 88 88 LYS N N 88 123.579 123.579 126.625 -3.046 19203 1624 1 4 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.635 0.118 19203 1625 1 4 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.942 -3.044 19203 1626 1 4 . 1 1 88 88 LYS CB C 88 34.143 34.143 34.795 -0.652 19203 1627 1 4 . 1 1 88 88 LYS H H 88 8.679 8.679 8.411 0.268 19203 1628 1 4 . 1 1 89 89 VAL N N 89 119.787 119.787 119.292 0.495 19203 1629 1 4 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.074 0.051 19203 1630 1 4 . 1 1 89 89 VAL CA C 89 61.040 61.040 61.277 -0.237 19203 1631 1 4 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.728 -2.387 19203 1632 1 4 . 1 1 89 89 VAL H H 89 8.454 8.454 8.397 0.057 19203 1633 1 5 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.946 -0.413 19203 1634 1 5 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.391 -3.506 19203 1635 1 5 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.334 -4.712 19203 1636 1 5 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.744 0.082 19203 1637 1 5 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.558 -4.249 19203 1638 1 5 . 1 1 3 3 PRO CB C 3 27.792 27.792 33.464 -5.672 19203 1639 1 5 . 1 1 4 4 ARG N N 4 121.678 121.678 118.173 3.505 19203 1640 1 5 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.394 -0.173 19203 1641 1 5 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.710 -2.135 19203 1642 1 5 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.034 -2.567 19203 1643 1 5 . 1 1 4 4 ARG H H 4 8.483 8.483 8.682 -0.199 19203 1644 1 5 . 1 1 5 5 GLY N N 5 109.928 109.928 109.054 0.874 19203 1645 1 5 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.527 -1.859 19203 1646 1 5 . 1 1 5 5 GLY H H 5 8.344 8.344 7.809 0.535 19203 1647 1 5 . 1 1 6 6 ARG N N 6 120.896 120.896 120.811 0.085 19203 1648 1 5 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.601 -0.459 19203 1649 1 5 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.698 -2.179 19203 1650 1 5 . 1 1 6 6 ARG CB C 6 28.218 28.218 32.551 -4.333 19203 1651 1 5 . 1 1 6 6 ARG H H 6 8.144 8.144 8.647 -0.503 19203 1652 1 5 . 1 1 7 7 TYR N N 7 121.118 121.118 124.732 -3.614 19203 1653 1 5 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.742 -0.182 19203 1654 1 5 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.973 -3.168 19203 1655 1 5 . 1 1 7 7 TYR CB C 7 36.504 36.504 41.047 -4.543 19203 1656 1 5 . 1 1 7 7 TYR H H 7 8.218 8.218 8.458 -0.240 19203 1657 1 5 . 1 1 8 8 GLY N N 8 110.613 110.613 112.381 -1.768 19203 1658 1 5 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.998 -3.093 19203 1659 1 5 . 1 1 8 8 GLY H H 8 8.021 8.021 8.280 -0.259 19203 1660 1 5 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.809 -0.242 19203 1661 1 5 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.375 -2.575 19203 1662 1 5 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.103 -2.742 19203 1663 1 5 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.563 -0.199 19203 1664 1 5 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.170 -2.756 19203 1665 1 5 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.160 -0.693 19203 1666 1 5 . 1 1 11 11 SER N N 11 116.042 116.042 118.282 -2.240 19203 1667 1 5 . 1 1 11 11 SER HA H 11 4.394 4.394 4.775 -0.381 19203 1668 1 5 . 1 1 11 11 SER CA C 11 55.641 55.641 57.643 -2.002 19203 1669 1 5 . 1 1 11 11 SER CB C 11 61.349 61.349 66.277 -4.928 19203 1670 1 5 . 1 1 11 11 SER H H 11 8.263 8.263 8.136 0.127 19203 1671 1 5 . 1 1 12 12 ARG N N 12 123.432 123.432 121.289 2.143 19203 1672 1 5 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.133 0.156 19203 1673 1 5 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.131 -1.820 19203 1674 1 5 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.571 -2.845 19203 1675 1 5 . 1 1 12 12 ARG H H 12 8.317 8.317 8.310 0.007 19203 1676 1 5 . 1 1 13 13 ARG N N 13 119.550 119.550 121.796 -2.246 19203 1677 1 5 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.512 -1.929 19203 1678 1 5 . 1 1 13 13 ARG H H 13 7.967 7.967 8.621 -0.654 19203 1679 1 5 . 1 1 14 14 SER N N 14 117.366 117.366 111.419 5.947 19203 1680 1 5 . 1 1 14 14 SER HA H 14 4.588 4.588 4.548 0.040 19203 1681 1 5 . 1 1 14 14 SER CA C 14 54.505 54.505 57.589 -3.084 19203 1682 1 5 . 1 1 14 14 SER CB C 14 63.906 63.906 64.986 -1.080 19203 1683 1 5 . 1 1 14 14 SER H H 14 8.660 8.660 7.752 0.908 19203 1684 1 5 . 1 1 15 15 GLU N N 15 116.212 116.212 119.986 -3.774 19203 1685 1 5 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.237 0.075 19203 1686 1 5 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.496 -3.549 19203 1687 1 5 . 1 1 15 15 GLU CB C 15 27.107 27.107 29.748 -2.641 19203 1688 1 5 . 1 1 15 15 GLU H H 15 8.472 8.472 8.746 -0.274 19203 1689 1 5 . 1 1 16 16 ASN N N 16 120.295 120.295 115.228 5.067 19203 1690 1 5 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.862 0.135 19203 1691 1 5 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.684 -2.753 19203 1692 1 5 . 1 1 16 16 ASN CB C 16 34.311 34.311 39.381 -5.070 19203 1693 1 5 . 1 1 16 16 ASN H H 16 8.326 8.326 8.233 0.093 19203 1694 1 5 . 1 1 17 17 ARG N N 17 123.774 123.774 120.431 3.343 19203 1695 1 5 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.654 0.615 19203 1696 1 5 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.269 -2.429 19203 1697 1 5 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.178 -1.756 19203 1698 1 5 . 1 1 17 17 ARG H H 17 7.726 7.726 8.065 -0.339 19203 1699 1 5 . 1 1 18 18 VAL N N 18 117.634 117.634 122.162 -4.528 19203 1700 1 5 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.270 -0.228 19203 1701 1 5 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.363 -3.273 19203 1702 1 5 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.424 -3.678 19203 1703 1 5 . 1 1 18 18 VAL H H 18 9.197 9.197 8.099 1.098 19203 1704 1 5 . 1 1 19 19 VAL N N 19 119.956 119.956 115.698 4.258 19203 1705 1 5 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.725 0.200 19203 1706 1 5 . 1 1 19 19 VAL CA C 19 57.771 57.771 59.696 -1.925 19203 1707 1 5 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.363 -3.788 19203 1708 1 5 . 1 1 19 19 VAL H H 19 9.111 9.111 8.994 0.117 19203 1709 1 5 . 1 1 20 20 VAL N N 20 125.976 125.976 116.647 9.329 19203 1710 1 5 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.114 0.255 19203 1711 1 5 . 1 1 20 20 VAL CA C 20 56.514 56.514 59.071 -2.557 19203 1712 1 5 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.159 -3.112 19203 1713 1 5 . 1 1 20 20 VAL H H 20 8.678 8.678 8.767 -0.089 19203 1714 1 5 . 1 1 21 21 SER N N 21 117.905 117.905 117.023 0.882 19203 1715 1 5 . 1 1 21 21 SER HA H 21 5.075 5.075 5.163 -0.088 19203 1716 1 5 . 1 1 21 21 SER CA C 21 54.228 54.228 56.869 -2.641 19203 1717 1 5 . 1 1 21 21 SER CB C 21 63.312 63.312 65.920 -2.608 19203 1718 1 5 . 1 1 21 21 SER H H 21 8.917 8.917 7.937 0.980 19203 1719 1 5 . 1 1 22 22 GLY N N 22 108.144 108.144 108.217 -0.073 19203 1720 1 5 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.691 -3.226 19203 1721 1 5 . 1 1 22 22 GLY H H 22 8.079 8.079 8.180 -0.101 19203 1722 1 5 . 1 1 23 23 LEU N N 23 119.379 119.379 121.578 -2.199 19203 1723 1 5 . 1 1 23 23 LEU HA H 23 3.423 3.423 3.992 -0.569 19203 1724 1 5 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.783 -2.910 19203 1725 1 5 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.315 -3.237 19203 1726 1 5 . 1 1 23 23 LEU H H 23 8.485 8.485 7.541 0.944 19203 1727 1 5 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.822 -2.923 19203 1728 1 5 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.362 -0.104 19203 1729 1 5 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.878 -2.119 19203 1730 1 5 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.822 -2.592 19203 1731 1 5 . 1 1 26 26 SER N N 26 106.249 106.249 113.891 -7.642 19203 1732 1 5 . 1 1 26 26 SER HA H 26 4.319 4.319 4.663 -0.344 19203 1733 1 5 . 1 1 26 26 SER CA C 26 55.722 55.722 57.160 -1.438 19203 1734 1 5 . 1 1 26 26 SER CB C 26 61.171 61.171 63.077 -1.906 19203 1735 1 5 . 1 1 26 26 SER H H 26 7.309 7.309 8.462 -1.153 19203 1736 1 5 . 1 1 27 27 GLY N N 27 107.883 107.883 109.645 -1.762 19203 1737 1 5 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.732 -0.528 19203 1738 1 5 . 1 1 27 27 GLY H H 27 8.075 8.075 7.462 0.613 19203 1739 1 5 . 1 1 28 28 SER N N 28 123.917 123.917 113.494 10.423 19203 1740 1 5 . 1 1 28 28 SER HA H 28 4.903 4.903 4.591 0.312 19203 1741 1 5 . 1 1 28 28 SER CA C 28 53.260 53.260 57.136 -3.876 19203 1742 1 5 . 1 1 28 28 SER CB C 28 64.609 64.609 65.597 -0.988 19203 1743 1 5 . 1 1 28 28 SER H H 28 9.021 9.021 8.414 0.607 19203 1744 1 5 . 1 1 29 29 TRP N N 29 120.079 120.079 120.300 -0.221 19203 1745 1 5 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.440 -0.416 19203 1746 1 5 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.989 -1.925 19203 1747 1 5 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.529 -3.307 19203 1748 1 5 . 1 1 29 29 TRP H H 29 9.042 9.042 8.499 0.543 19203 1749 1 5 . 1 1 30 30 GLN N N 30 123.085 123.085 120.875 2.210 19203 1750 1 5 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.101 -0.907 19203 1751 1 5 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.378 -2.412 19203 1752 1 5 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.931 -3.247 19203 1753 1 5 . 1 1 30 30 GLN H H 30 7.587 7.587 7.642 -0.055 19203 1754 1 5 . 1 1 31 31 ASP N N 31 120.127 120.127 119.256 0.871 19203 1755 1 5 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.299 -0.149 19203 1756 1 5 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.766 -2.431 19203 1757 1 5 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.341 -1.069 19203 1758 1 5 . 1 1 31 31 ASP H H 31 7.697 7.697 7.547 0.150 19203 1759 1 5 . 1 1 32 32 LEU N N 32 122.010 122.010 120.673 1.337 19203 1760 1 5 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.432 -0.227 19203 1761 1 5 . 1 1 32 32 LEU CA C 32 55.539 55.539 57.315 -1.776 19203 1762 1 5 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.996 -2.995 19203 1763 1 5 . 1 1 32 32 LEU H H 32 8.260 8.260 7.732 0.528 19203 1764 1 5 . 1 1 33 33 LYS N N 33 120.333 120.333 119.551 0.782 19203 1765 1 5 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.024 -0.512 19203 1766 1 5 . 1 1 33 33 LYS CA C 33 58.485 58.485 60.123 -1.638 19203 1767 1 5 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.456 -2.817 19203 1768 1 5 . 1 1 33 33 LYS H H 33 8.506 8.506 8.492 0.014 19203 1769 1 5 . 1 1 34 34 ASP N N 34 117.666 117.666 116.240 1.426 19203 1770 1 5 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.567 -0.284 19203 1771 1 5 . 1 1 34 34 ASP CA C 34 54.882 54.882 55.947 -1.065 19203 1772 1 5 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.049 -3.509 19203 1773 1 5 . 1 1 34 34 ASP H H 34 8.353 8.353 8.159 0.194 19203 1774 1 5 . 1 1 35 35 HIS N N 35 119.654 119.654 118.478 1.176 19203 1775 1 5 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.671 -0.564 19203 1776 1 5 . 1 1 35 35 HIS CA C 35 57.324 57.324 56.642 0.682 19203 1777 1 5 . 1 1 35 35 HIS CB C 35 30.265 30.265 32.089 -1.824 19203 1778 1 5 . 1 1 35 35 HIS H H 35 7.943 7.943 7.818 0.125 19203 1779 1 5 . 1 1 36 36 MET N N 36 111.628 111.628 120.811 -9.183 19203 1780 1 5 . 1 1 36 36 MET HA H 36 4.572 4.572 4.615 -0.043 19203 1781 1 5 . 1 1 36 36 MET CA C 36 52.172 52.172 56.011 -3.839 19203 1782 1 5 . 1 1 36 36 MET CB C 36 31.060 31.060 31.899 -0.839 19203 1783 1 5 . 1 1 36 36 MET H H 36 7.812 7.812 8.586 -0.774 19203 1784 1 5 . 1 1 37 37 ARG N N 37 119.419 119.419 117.040 2.379 19203 1785 1 5 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.568 0.065 19203 1786 1 5 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.526 -1.119 19203 1787 1 5 . 1 1 37 37 ARG CB C 37 27.001 27.001 30.977 -3.976 19203 1788 1 5 . 1 1 37 37 ARG H H 37 7.929 7.929 8.150 -0.221 19203 1789 1 5 . 1 1 38 38 GLU N N 38 118.450 118.450 121.927 -3.477 19203 1790 1 5 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.340 -0.353 19203 1791 1 5 . 1 1 38 38 GLU CA C 38 55.587 55.587 56.779 -1.192 19203 1792 1 5 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.196 -1.739 19203 1793 1 5 . 1 1 38 38 GLU H H 38 7.524 7.524 8.366 -0.842 19203 1794 1 5 . 1 1 39 39 ALA N N 39 118.496 118.496 118.605 -0.109 19203 1795 1 5 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.724 -0.745 19203 1796 1 5 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.108 -1.883 19203 1797 1 5 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.934 -2.277 19203 1798 1 5 . 1 1 39 39 ALA H H 39 7.958 7.958 7.957 0.001 19203 1799 1 5 . 1 1 40 40 GLY N N 40 101.970 101.970 104.915 -2.945 19203 1800 1 5 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.376 -2.856 19203 1801 1 5 . 1 1 40 40 GLY H H 40 7.172 7.172 7.409 -0.237 19203 1802 1 5 . 1 1 41 41 ASP N N 41 116.412 116.412 121.252 -4.840 19203 1803 1 5 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.713 -0.262 19203 1804 1 5 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.318 -1.070 19203 1805 1 5 . 1 1 41 41 ASP CB C 41 38.386 38.386 42.139 -3.753 19203 1806 1 5 . 1 1 41 41 ASP H H 41 7.917 7.917 8.427 -0.510 19203 1807 1 5 . 1 1 42 42 VAL N N 42 128.043 128.043 124.703 3.340 19203 1808 1 5 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.942 0.084 19203 1809 1 5 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.738 -1.915 19203 1810 1 5 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.111 -1.167 19203 1811 1 5 . 1 1 42 42 VAL H H 42 8.366 8.366 8.291 0.075 19203 1812 1 5 . 1 1 43 43 CYS N N 43 122.686 122.686 125.980 -3.294 19203 1813 1 5 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.514 0.265 19203 1814 1 5 . 1 1 43 43 CYS CA C 43 54.138 54.138 59.042 -4.904 19203 1815 1 5 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.158 -1.503 19203 1816 1 5 . 1 1 43 43 CYS H H 43 8.800 8.800 8.685 0.115 19203 1817 1 5 . 1 1 44 44 TYR N N 44 122.582 122.582 120.379 2.203 19203 1818 1 5 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.557 -0.121 19203 1819 1 5 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.337 -1.549 19203 1820 1 5 . 1 1 44 44 TYR CB C 44 39.803 39.803 42.078 -2.275 19203 1821 1 5 . 1 1 44 44 TYR H H 44 7.420 7.420 7.882 -0.462 19203 1822 1 5 . 1 1 45 45 ALA N N 45 127.108 127.108 124.877 2.231 19203 1823 1 5 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.388 0.553 19203 1824 1 5 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.596 -3.561 19203 1825 1 5 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.833 -1.594 19203 1826 1 5 . 1 1 45 45 ALA H H 45 7.107 7.107 7.324 -0.217 19203 1827 1 5 . 1 1 46 46 ASP N N 46 117.612 117.612 121.520 -3.908 19203 1828 1 5 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.886 -0.263 19203 1829 1 5 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.611 -3.092 19203 1830 1 5 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.512 -2.719 19203 1831 1 5 . 1 1 46 46 ASP H H 46 8.463 8.463 8.808 -0.345 19203 1832 1 5 . 1 1 47 47 VAL N N 47 116.535 116.535 120.943 -4.408 19203 1833 1 5 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.368 -0.122 19203 1834 1 5 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.384 -3.327 19203 1835 1 5 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.544 -2.643 19203 1836 1 5 . 1 1 47 47 VAL H H 47 8.096 8.096 8.471 -0.375 19203 1837 1 5 . 1 1 48 48 TYR N N 48 124.428 124.428 122.816 1.612 19203 1838 1 5 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.020 -0.077 19203 1839 1 5 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.248 -2.979 19203 1840 1 5 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.706 -3.521 19203 1841 1 5 . 1 1 48 48 TYR H H 48 8.673 8.673 8.221 0.452 19203 1842 1 5 . 1 1 49 49 ARG N N 49 117.750 117.750 121.175 -3.425 19203 1843 1 5 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.297 -0.108 19203 1844 1 5 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.792 -1.678 19203 1845 1 5 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.397 -2.687 19203 1846 1 5 . 1 1 49 49 ARG H H 49 8.520 8.520 8.748 -0.228 19203 1847 1 5 . 1 1 50 50 ASP N N 50 117.696 117.696 119.938 -2.242 19203 1848 1 5 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.799 -0.219 19203 1849 1 5 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.230 -3.054 19203 1850 1 5 . 1 1 50 50 ASP CB C 50 37.905 37.905 41.147 -3.242 19203 1851 1 5 . 1 1 50 50 ASP H H 50 7.960 7.960 7.807 0.153 19203 1852 1 5 . 1 1 51 51 GLY N N 51 108.367 108.367 109.380 -1.013 19203 1853 1 5 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.315 -2.752 19203 1854 1 5 . 1 1 51 51 GLY H H 51 8.053 8.053 8.463 -0.410 19203 1855 1 5 . 1 1 52 52 THR N N 52 109.991 109.991 109.868 0.123 19203 1856 1 5 . 1 1 52 52 THR HA H 52 5.497 5.497 4.822 0.675 19203 1857 1 5 . 1 1 52 52 THR CA C 52 57.040 57.040 59.673 -2.633 19203 1858 1 5 . 1 1 52 52 THR CB C 52 69.847 69.847 71.816 -1.969 19203 1859 1 5 . 1 1 52 52 THR H H 52 7.637 7.637 6.993 0.644 19203 1860 1 5 . 1 1 53 53 GLY N N 53 105.727 105.727 107.231 -1.504 19203 1861 1 5 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.240 -0.942 19203 1862 1 5 . 1 1 53 53 GLY H H 53 8.801 8.801 7.988 0.813 19203 1863 1 5 . 1 1 54 54 VAL N N 54 117.327 117.327 118.759 -1.432 19203 1864 1 5 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.444 0.913 19203 1865 1 5 . 1 1 54 54 VAL CA C 54 56.820 56.820 62.183 -5.363 19203 1866 1 5 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.279 -2.556 19203 1867 1 5 . 1 1 54 54 VAL H H 54 8.585 8.585 8.964 -0.379 19203 1868 1 5 . 1 1 55 55 VAL N N 55 120.925 120.925 124.102 -3.177 19203 1869 1 5 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.944 -0.313 19203 1870 1 5 . 1 1 55 55 VAL CA C 55 57.980 57.980 59.732 -1.752 19203 1871 1 5 . 1 1 55 55 VAL CB C 55 32.788 32.788 35.210 -2.422 19203 1872 1 5 . 1 1 55 55 VAL H H 55 8.475 8.475 9.143 -0.668 19203 1873 1 5 . 1 1 56 56 GLU N N 56 123.932 123.932 119.905 4.027 19203 1874 1 5 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.798 0.200 19203 1875 1 5 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.602 -4.243 19203 1876 1 5 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.167 -4.093 19203 1877 1 5 . 1 1 56 56 GLU H H 56 8.896 8.896 8.799 0.097 19203 1878 1 5 . 1 1 57 57 PHE N N 57 120.441 120.441 123.755 -3.314 19203 1879 1 5 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.804 0.185 19203 1880 1 5 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.795 -1.720 19203 1881 1 5 . 1 1 57 57 PHE CB C 57 39.280 39.280 41.092 -1.812 19203 1882 1 5 . 1 1 57 57 PHE H H 57 8.549 8.549 8.869 -0.320 19203 1883 1 5 . 1 1 58 58 VAL N N 58 125.263 125.263 117.351 7.912 19203 1884 1 5 . 1 1 58 58 VAL HA H 58 3.572 3.572 4.007 -0.435 19203 1885 1 5 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.204 0.189 19203 1886 1 5 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.312 -2.751 19203 1887 1 5 . 1 1 58 58 VAL H H 58 8.123 8.123 8.414 -0.291 19203 1888 1 5 . 1 1 59 59 ARG N N 59 117.434 117.434 117.888 -0.454 19203 1889 1 5 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.684 0.029 19203 1890 1 5 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.022 -2.981 19203 1891 1 5 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.047 -3.439 19203 1892 1 5 . 1 1 59 59 ARG H H 59 9.504 9.504 7.643 1.861 19203 1893 1 5 . 1 1 60 60 LYS N N 60 127.390 127.390 122.174 5.216 19203 1894 1 5 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.080 -0.454 19203 1895 1 5 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.447 -2.022 19203 1896 1 5 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.425 -2.785 19203 1897 1 5 . 1 1 60 60 LYS H H 60 8.955 8.955 8.827 0.128 19203 1898 1 5 . 1 1 61 61 GLU N N 61 117.610 117.610 119.146 -1.536 19203 1899 1 5 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.149 -0.176 19203 1900 1 5 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.517 -2.645 19203 1901 1 5 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.597 -2.506 19203 1902 1 5 . 1 1 61 61 GLU H H 61 9.814 9.814 8.865 0.949 19203 1903 1 5 . 1 1 62 62 ASP N N 62 121.439 121.439 121.161 0.278 19203 1904 1 5 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.528 -0.179 19203 1905 1 5 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.483 -4.060 19203 1906 1 5 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.647 -3.377 19203 1907 1 5 . 1 1 62 62 ASP H H 62 6.760 6.760 8.471 -1.711 19203 1908 1 5 . 1 1 63 63 MET N N 63 120.225 120.225 120.212 0.013 19203 1909 1 5 . 1 1 63 63 MET HA H 63 3.070 3.070 3.176 -0.106 19203 1910 1 5 . 1 1 63 63 MET CA C 63 56.211 56.211 58.688 -2.477 19203 1911 1 5 . 1 1 63 63 MET CB C 63 30.414 30.414 31.971 -1.557 19203 1912 1 5 . 1 1 63 63 MET H H 63 6.863 6.863 8.077 -1.214 19203 1913 1 5 . 1 1 64 64 THR N N 64 113.874 113.874 115.325 -1.451 19203 1914 1 5 . 1 1 64 64 THR HA H 64 3.663 3.663 3.796 -0.133 19203 1915 1 5 . 1 1 64 64 THR CA C 64 63.733 63.733 66.612 -2.878 19203 1916 1 5 . 1 1 64 64 THR CB C 64 65.692 65.692 68.680 -2.988 19203 1917 1 5 . 1 1 64 64 THR H H 64 7.900 7.900 8.200 -0.300 19203 1918 1 5 . 1 1 65 65 TYR N N 65 122.573 122.573 121.434 1.139 19203 1919 1 5 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.091 -0.086 19203 1920 1 5 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.528 -3.078 19203 1921 1 5 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.467 -2.769 19203 1922 1 5 . 1 1 65 65 TYR H H 65 7.530 7.530 7.908 -0.378 19203 1923 1 5 . 1 1 66 66 ALA N N 66 120.898 120.898 122.497 -1.599 19203 1924 1 5 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.126 -0.488 19203 1925 1 5 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.264 -2.242 19203 1926 1 5 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.206 -1.624 19203 1927 1 5 . 1 1 66 66 ALA H H 66 8.144 8.144 8.269 -0.125 19203 1928 1 5 . 1 1 67 67 VAL N N 67 115.474 115.474 116.362 -0.888 19203 1929 1 5 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.874 -0.558 19203 1930 1 5 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.614 -0.965 19203 1931 1 5 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.096 -1.634 19203 1932 1 5 . 1 1 67 67 VAL H H 67 7.602 7.602 7.558 0.044 19203 1933 1 5 . 1 1 68 68 ARG N N 68 116.635 116.635 116.065 0.570 19203 1934 1 5 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.418 -0.376 19203 1935 1 5 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.381 -0.392 19203 1936 1 5 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.560 -3.108 19203 1937 1 5 . 1 1 68 68 ARG H H 68 7.531 7.531 7.608 -0.077 19203 1938 1 5 . 1 1 69 69 LYS N N 69 115.566 115.566 117.792 -2.226 19203 1939 1 5 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.397 -0.176 19203 1940 1 5 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.441 -2.873 19203 1941 1 5 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.761 -3.768 19203 1942 1 5 . 1 1 69 69 LYS H H 69 8.664 8.664 7.891 0.773 19203 1943 1 5 . 1 1 70 70 LEU N N 70 114.943 114.943 121.098 -6.155 19203 1944 1 5 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.582 0.244 19203 1945 1 5 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.373 -3.887 19203 1946 1 5 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.869 -3.604 19203 1947 1 5 . 1 1 70 70 LEU H H 70 8.164 8.164 7.970 0.194 19203 1948 1 5 . 1 1 71 71 ASP N N 71 119.864 119.864 118.946 0.918 19203 1949 1 5 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.623 -0.231 19203 1950 1 5 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.389 0.795 19203 1951 1 5 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.785 -3.322 19203 1952 1 5 . 1 1 71 71 ASP H H 71 6.910 6.910 7.514 -0.604 19203 1953 1 5 . 1 1 72 72 ASN N N 72 123.602 123.602 117.215 6.387 19203 1954 1 5 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.559 0.122 19203 1955 1 5 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.416 -2.714 19203 1956 1 5 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.188 -3.128 19203 1957 1 5 . 1 1 72 72 ASN H H 72 9.037 9.037 8.583 0.454 19203 1958 1 5 . 1 1 73 73 THR N N 73 105.063 105.063 108.015 -2.952 19203 1959 1 5 . 1 1 73 73 THR HA H 73 4.674 4.674 4.385 0.289 19203 1960 1 5 . 1 1 73 73 THR CA C 73 57.397 57.397 61.309 -3.912 19203 1961 1 5 . 1 1 73 73 THR CB C 73 70.412 70.412 70.557 -0.145 19203 1962 1 5 . 1 1 73 73 THR H H 73 7.187 7.187 7.646 -0.459 19203 1963 1 5 . 1 1 74 74 LYS N N 74 120.141 120.141 121.366 -1.225 19203 1964 1 5 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.719 -1.063 19203 1965 1 5 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.904 -3.071 19203 1966 1 5 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.137 -4.232 19203 1967 1 5 . 1 1 74 74 LYS H H 74 8.384 8.384 8.480 -0.096 19203 1968 1 5 . 1 1 75 75 PHE N N 75 132.829 132.829 123.879 8.950 19203 1969 1 5 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.974 -0.658 19203 1970 1 5 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.632 -3.429 19203 1971 1 5 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.850 -2.394 19203 1972 1 5 . 1 1 75 75 PHE H H 75 9.243 9.243 8.938 0.305 19203 1973 1 5 . 1 1 76 76 ARG N N 76 128.489 128.489 127.900 0.589 19203 1974 1 5 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.585 0.213 19203 1975 1 5 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.811 -4.830 19203 1976 1 5 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.384 -1.010 19203 1977 1 5 . 1 1 76 76 ARG H H 76 8.293 8.293 8.194 0.099 19203 1978 1 5 . 1 1 77 77 SER N N 77 120.971 120.971 113.721 7.250 19203 1979 1 5 . 1 1 77 77 SER HA H 77 4.278 4.278 5.071 -0.793 19203 1980 1 5 . 1 1 77 77 SER CA C 77 53.406 53.406 56.191 -2.784 19203 1981 1 5 . 1 1 77 77 SER CB C 77 63.802 63.802 66.609 -2.807 19203 1982 1 5 . 1 1 77 77 SER H H 77 9.107 9.107 8.436 0.671 19203 1983 1 5 . 1 1 78 78 HIS N N 78 118.463 118.463 120.745 -2.282 19203 1984 1 5 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.369 0.006 19203 1985 1 5 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.559 -1.668 19203 1986 1 5 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.061 -5.822 19203 1987 1 5 . 1 1 78 78 HIS H H 78 9.696 9.696 8.907 0.789 19203 1988 1 5 . 1 1 79 79 GLU N N 79 116.714 116.714 118.612 -1.898 19203 1989 1 5 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.219 0.124 19203 1990 1 5 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.265 -3.325 19203 1991 1 5 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.054 -1.541 19203 1992 1 5 . 1 1 79 79 GLU H H 79 7.053 7.053 8.306 -1.253 19203 1993 1 5 . 1 1 80 80 GLY N N 80 108.106 108.106 107.885 0.221 19203 1994 1 5 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.474 -2.837 19203 1995 1 5 . 1 1 80 80 GLY H H 80 7.835 7.835 7.869 -0.034 19203 1996 1 5 . 1 1 81 81 GLU N N 81 119.017 119.017 117.826 1.191 19203 1997 1 5 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.807 -0.473 19203 1998 1 5 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.104 -0.377 19203 1999 1 5 . 1 1 81 81 GLU CB C 81 29.478 29.478 32.003 -2.525 19203 2000 1 5 . 1 1 81 81 GLU H H 81 7.067 7.067 7.889 -0.822 19203 2001 1 5 . 1 1 82 82 THR N N 82 114.312 114.312 111.804 2.508 19203 2002 1 5 . 1 1 82 82 THR HA H 82 5.771 5.771 5.239 0.532 19203 2003 1 5 . 1 1 82 82 THR CA C 82 56.694 56.694 60.397 -3.703 19203 2004 1 5 . 1 1 82 82 THR CB C 82 69.359 69.359 72.140 -2.781 19203 2005 1 5 . 1 1 82 82 THR H H 82 8.499 8.499 8.301 0.198 19203 2006 1 5 . 1 1 83 83 ALA N N 83 123.125 123.125 127.131 -4.006 19203 2007 1 5 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.839 -0.398 19203 2008 1 5 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.554 -1.457 19203 2009 1 5 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.287 0.212 19203 2010 1 5 . 1 1 83 83 ALA H H 83 8.674 8.674 8.971 -0.297 19203 2011 1 5 . 1 1 84 84 TYR N N 84 120.587 120.587 116.038 4.549 19203 2012 1 5 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.679 -0.706 19203 2013 1 5 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.781 0.120 19203 2014 1 5 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.948 -4.796 19203 2015 1 5 . 1 1 84 84 TYR H H 84 8.708 8.708 8.357 0.351 19203 2016 1 5 . 1 1 85 85 ILE N N 85 116.081 116.081 113.234 2.847 19203 2017 1 5 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.820 0.032 19203 2018 1 5 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.653 -1.724 19203 2019 1 5 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.367 -3.992 19203 2020 1 5 . 1 1 85 85 ILE H H 85 8.182 8.182 8.480 -0.298 19203 2021 1 5 . 1 1 86 86 ARG N N 86 117.289 117.289 121.456 -4.167 19203 2022 1 5 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.790 0.447 19203 2023 1 5 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.243 -5.096 19203 2024 1 5 . 1 1 86 86 ARG CB C 86 27.473 27.473 31.540 -4.067 19203 2025 1 5 . 1 1 86 86 ARG H H 86 8.250 8.250 8.614 -0.364 19203 2026 1 5 . 1 1 87 87 VAL N N 87 121.679 121.679 126.200 -4.521 19203 2027 1 5 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.473 0.160 19203 2028 1 5 . 1 1 87 87 VAL CA C 87 58.639 58.639 63.314 -4.675 19203 2029 1 5 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.544 0.085 19203 2030 1 5 . 1 1 87 87 VAL H H 87 8.983 8.983 8.730 0.253 19203 2031 1 5 . 1 1 88 88 LYS N N 88 123.579 123.579 126.221 -2.642 19203 2032 1 5 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.666 0.087 19203 2033 1 5 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.086 -2.188 19203 2034 1 5 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.767 -1.624 19203 2035 1 5 . 1 1 88 88 LYS H H 88 8.679 8.679 8.926 -0.247 19203 2036 1 5 . 1 1 89 89 VAL N N 89 119.787 119.787 120.771 -0.984 19203 2037 1 5 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.115 0.010 19203 2038 1 5 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.578 -1.538 19203 2039 1 5 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.823 -1.482 19203 2040 1 5 . 1 1 89 89 VAL H H 89 8.454 8.454 8.481 -0.027 19203 2041 1 6 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.773 -0.240 19203 2042 1 6 . 1 1 2 2 ALA CA C 2 47.885 47.885 50.359 -2.474 19203 2043 1 6 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.860 -4.238 19203 2044 1 6 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.516 0.310 19203 2045 1 6 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.517 -4.208 19203 2046 1 6 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.526 -4.734 19203 2047 1 6 . 1 1 4 4 ARG N N 4 121.678 121.678 120.417 1.261 19203 2048 1 6 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.494 -0.273 19203 2049 1 6 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.274 -1.699 19203 2050 1 6 . 1 1 4 4 ARG CB C 4 28.467 28.467 33.231 -4.764 19203 2051 1 6 . 1 1 4 4 ARG H H 4 8.483 8.483 8.620 -0.137 19203 2052 1 6 . 1 1 5 5 GLY N N 5 109.928 109.928 112.226 -2.298 19203 2053 1 6 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.586 -1.918 19203 2054 1 6 . 1 1 5 5 GLY H H 5 8.344 8.344 8.418 -0.074 19203 2055 1 6 . 1 1 6 6 ARG N N 6 120.896 120.896 119.446 1.450 19203 2056 1 6 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.178 -0.036 19203 2057 1 6 . 1 1 6 6 ARG CA C 6 53.519 53.519 54.503 -0.984 19203 2058 1 6 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.094 -2.876 19203 2059 1 6 . 1 1 6 6 ARG H H 6 8.144 8.144 8.012 0.132 19203 2060 1 6 . 1 1 7 7 TYR N N 7 121.118 121.118 120.689 0.429 19203 2061 1 6 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.628 -0.068 19203 2062 1 6 . 1 1 7 7 TYR CA C 7 54.805 54.805 56.127 -1.323 19203 2063 1 6 . 1 1 7 7 TYR CB C 7 36.504 36.504 36.718 -0.214 19203 2064 1 6 . 1 1 7 7 TYR H H 7 8.218 8.218 8.210 0.008 19203 2065 1 6 . 1 1 8 8 GLY N N 8 110.613 110.613 109.419 1.194 19203 2066 1 6 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.967 -2.062 19203 2067 1 6 . 1 1 8 8 GLY H H 8 8.021 8.021 7.534 0.487 19203 2068 1 6 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.668 -0.101 19203 2069 1 6 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.707 -2.907 19203 2070 1 6 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.148 -2.787 19203 2071 1 6 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.460 -0.096 19203 2072 1 6 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.174 -2.760 19203 2073 1 6 . 1 1 10 10 PRO CB C 10 29.467 29.467 29.974 -0.507 19203 2074 1 6 . 1 1 11 11 SER N N 11 116.042 116.042 118.216 -2.174 19203 2075 1 6 . 1 1 11 11 SER HA H 11 4.394 4.394 4.649 -0.255 19203 2076 1 6 . 1 1 11 11 SER CA C 11 55.641 55.641 58.085 -2.444 19203 2077 1 6 . 1 1 11 11 SER CB C 11 61.349 61.349 64.885 -3.535 19203 2078 1 6 . 1 1 11 11 SER H H 11 8.263 8.263 8.450 -0.187 19203 2079 1 6 . 1 1 12 12 ARG N N 12 123.432 123.432 126.036 -2.604 19203 2080 1 6 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.370 -0.081 19203 2081 1 6 . 1 1 12 12 ARG CA C 12 53.311 53.311 57.002 -3.691 19203 2082 1 6 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.018 -2.292 19203 2083 1 6 . 1 1 12 12 ARG H H 12 8.317 8.317 8.597 -0.280 19203 2084 1 6 . 1 1 13 13 ARG N N 13 119.550 119.550 119.694 -0.144 19203 2085 1 6 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.785 -3.202 19203 2086 1 6 . 1 1 13 13 ARG H H 13 7.967 7.967 8.575 -0.608 19203 2087 1 6 . 1 1 14 14 SER N N 14 117.366 117.366 114.416 2.950 19203 2088 1 6 . 1 1 14 14 SER HA H 14 4.588 4.588 4.659 -0.071 19203 2089 1 6 . 1 1 14 14 SER CA C 14 54.505 54.505 57.600 -3.095 19203 2090 1 6 . 1 1 14 14 SER CB C 14 63.906 63.906 65.572 -1.665 19203 2091 1 6 . 1 1 14 14 SER H H 14 8.660 8.660 7.961 0.699 19203 2092 1 6 . 1 1 15 15 GLU N N 15 116.212 116.212 119.721 -3.509 19203 2093 1 6 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.186 0.126 19203 2094 1 6 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.847 -3.900 19203 2095 1 6 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.348 -1.241 19203 2096 1 6 . 1 1 15 15 GLU H H 15 8.472 8.472 8.874 -0.402 19203 2097 1 6 . 1 1 16 16 ASN N N 16 120.295 120.295 116.423 3.872 19203 2098 1 6 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.919 0.078 19203 2099 1 6 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.567 -2.636 19203 2100 1 6 . 1 1 16 16 ASN CB C 16 34.311 34.311 39.677 -5.366 19203 2101 1 6 . 1 1 16 16 ASN H H 16 8.326 8.326 7.827 0.499 19203 2102 1 6 . 1 1 17 17 ARG N N 17 123.774 123.774 121.824 1.950 19203 2103 1 6 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.899 0.370 19203 2104 1 6 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.191 -2.351 19203 2105 1 6 . 1 1 17 17 ARG CB C 17 31.422 31.422 32.453 -1.031 19203 2106 1 6 . 1 1 17 17 ARG H H 17 7.726 7.726 7.796 -0.070 19203 2107 1 6 . 1 1 18 18 VAL N N 18 117.634 117.634 123.016 -5.382 19203 2108 1 6 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.089 -0.047 19203 2109 1 6 . 1 1 18 18 VAL CA C 18 56.090 56.090 58.943 -2.853 19203 2110 1 6 . 1 1 18 18 VAL CB C 18 31.746 31.746 34.322 -2.576 19203 2111 1 6 . 1 1 18 18 VAL H H 18 9.197 9.197 9.114 0.083 19203 2112 1 6 . 1 1 19 19 VAL N N 19 119.956 119.956 120.628 -0.672 19203 2113 1 6 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.714 0.211 19203 2114 1 6 . 1 1 19 19 VAL CA C 19 57.771 57.771 61.031 -3.260 19203 2115 1 6 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.697 -4.122 19203 2116 1 6 . 1 1 19 19 VAL H H 19 9.111 9.111 8.902 0.209 19203 2117 1 6 . 1 1 20 20 VAL N N 20 125.976 125.976 125.885 0.091 19203 2118 1 6 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.128 0.241 19203 2119 1 6 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.102 -3.588 19203 2120 1 6 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.690 -2.643 19203 2121 1 6 . 1 1 20 20 VAL H H 20 8.678 8.678 8.903 -0.225 19203 2122 1 6 . 1 1 21 21 SER N N 21 117.905 117.905 116.301 1.604 19203 2123 1 6 . 1 1 21 21 SER HA H 21 5.075 5.075 5.210 -0.135 19203 2124 1 6 . 1 1 21 21 SER CA C 21 54.228 54.228 56.541 -2.313 19203 2125 1 6 . 1 1 21 21 SER CB C 21 63.312 63.312 66.294 -2.982 19203 2126 1 6 . 1 1 21 21 SER H H 21 8.917 8.917 8.651 0.266 19203 2127 1 6 . 1 1 22 22 GLY N N 22 108.144 108.144 108.204 -0.060 19203 2128 1 6 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.553 -3.088 19203 2129 1 6 . 1 1 22 22 GLY H H 22 8.079 8.079 8.293 -0.214 19203 2130 1 6 . 1 1 23 23 LEU N N 23 119.379 119.379 121.426 -2.047 19203 2131 1 6 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.229 -0.806 19203 2132 1 6 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.998 -3.125 19203 2133 1 6 . 1 1 23 23 LEU CB C 23 38.078 38.078 42.385 -4.307 19203 2134 1 6 . 1 1 23 23 LEU H H 23 8.485 8.485 7.506 0.979 19203 2135 1 6 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.929 -3.030 19203 2136 1 6 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.447 -0.189 19203 2137 1 6 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.347 -1.588 19203 2138 1 6 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.926 -2.697 19203 2139 1 6 . 1 1 26 26 SER N N 26 106.249 106.249 110.286 -4.037 19203 2140 1 6 . 1 1 26 26 SER HA H 26 4.319 4.319 4.551 -0.232 19203 2141 1 6 . 1 1 26 26 SER CA C 26 55.722 55.722 57.735 -2.013 19203 2142 1 6 . 1 1 26 26 SER CB C 26 61.171 61.171 64.354 -3.183 19203 2143 1 6 . 1 1 26 26 SER H H 26 7.309 7.309 7.933 -0.624 19203 2144 1 6 . 1 1 27 27 GLY N N 27 107.883 107.883 110.330 -2.447 19203 2145 1 6 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.477 -0.273 19203 2146 1 6 . 1 1 27 27 GLY H H 27 8.075 8.075 7.694 0.381 19203 2147 1 6 . 1 1 28 28 SER N N 28 123.917 123.917 120.230 3.687 19203 2148 1 6 . 1 1 28 28 SER HA H 28 4.903 4.903 4.486 0.417 19203 2149 1 6 . 1 1 28 28 SER CA C 28 53.260 53.260 58.018 -4.758 19203 2150 1 6 . 1 1 28 28 SER CB C 28 64.609 64.609 64.308 0.301 19203 2151 1 6 . 1 1 28 28 SER H H 28 9.021 9.021 8.208 0.813 19203 2152 1 6 . 1 1 29 29 TRP N N 29 120.079 120.079 120.180 -0.101 19203 2153 1 6 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.322 -0.298 19203 2154 1 6 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.767 -1.703 19203 2155 1 6 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.231 -3.009 19203 2156 1 6 . 1 1 29 29 TRP H H 29 9.042 9.042 8.917 0.125 19203 2157 1 6 . 1 1 30 30 GLN N N 30 123.085 123.085 120.657 2.428 19203 2158 1 6 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.018 -0.824 19203 2159 1 6 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.404 -2.438 19203 2160 1 6 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.562 -2.878 19203 2161 1 6 . 1 1 30 30 GLN H H 30 7.587 7.587 7.896 -0.309 19203 2162 1 6 . 1 1 31 31 ASP N N 31 120.127 120.127 120.538 -0.411 19203 2163 1 6 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.313 -0.163 19203 2164 1 6 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.561 -3.226 19203 2165 1 6 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.437 -1.165 19203 2166 1 6 . 1 1 31 31 ASP H H 31 7.697 7.697 7.733 -0.036 19203 2167 1 6 . 1 1 32 32 LEU N N 32 122.010 122.010 120.912 1.098 19203 2168 1 6 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.207 -0.002 19203 2169 1 6 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.569 -3.030 19203 2170 1 6 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.673 -2.672 19203 2171 1 6 . 1 1 32 32 LEU H H 32 8.260 8.260 8.330 -0.070 19203 2172 1 6 . 1 1 33 33 LYS N N 33 120.333 120.333 117.966 2.367 19203 2173 1 6 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.146 -0.634 19203 2174 1 6 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.518 -1.033 19203 2175 1 6 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.447 -2.808 19203 2176 1 6 . 1 1 33 33 LYS H H 33 8.506 8.506 8.290 0.216 19203 2177 1 6 . 1 1 34 34 ASP N N 34 117.666 117.666 117.056 0.610 19203 2178 1 6 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.541 -0.258 19203 2179 1 6 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.368 -1.486 19203 2180 1 6 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.329 -3.789 19203 2181 1 6 . 1 1 34 34 ASP H H 34 8.353 8.353 8.031 0.322 19203 2182 1 6 . 1 1 35 35 HIS N N 35 119.654 119.654 118.415 1.239 19203 2183 1 6 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.798 -0.691 19203 2184 1 6 . 1 1 35 35 HIS CA C 35 57.324 57.324 56.998 0.326 19203 2185 1 6 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.904 -1.639 19203 2186 1 6 . 1 1 35 35 HIS H H 35 7.943 7.943 7.635 0.308 19203 2187 1 6 . 1 1 36 36 MET N N 36 111.628 111.628 119.744 -8.116 19203 2188 1 6 . 1 1 36 36 MET HA H 36 4.572 4.572 4.537 0.035 19203 2189 1 6 . 1 1 36 36 MET CA C 36 52.172 52.172 55.898 -3.726 19203 2190 1 6 . 1 1 36 36 MET CB C 36 31.060 31.060 32.723 -1.663 19203 2191 1 6 . 1 1 36 36 MET H H 36 7.812 7.812 8.510 -0.698 19203 2192 1 6 . 1 1 37 37 ARG N N 37 119.419 119.419 116.960 2.459 19203 2193 1 6 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.412 0.221 19203 2194 1 6 . 1 1 37 37 ARG CA C 37 55.407 55.407 57.556 -2.149 19203 2195 1 6 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.959 -2.958 19203 2196 1 6 . 1 1 37 37 ARG H H 37 7.929 7.929 7.977 -0.048 19203 2197 1 6 . 1 1 38 38 GLU N N 38 118.450 118.450 121.527 -3.077 19203 2198 1 6 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.078 -0.091 19203 2199 1 6 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.729 -3.142 19203 2200 1 6 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.640 -2.183 19203 2201 1 6 . 1 1 38 38 GLU H H 38 7.524 7.524 7.678 -0.154 19203 2202 1 6 . 1 1 39 39 ALA N N 39 118.496 118.496 118.273 0.223 19203 2203 1 6 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.627 -0.648 19203 2204 1 6 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.510 -2.284 19203 2205 1 6 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.682 -2.025 19203 2206 1 6 . 1 1 39 39 ALA H H 39 7.958 7.958 8.250 -0.292 19203 2207 1 6 . 1 1 40 40 GLY N N 40 101.970 101.970 106.115 -4.145 19203 2208 1 6 . 1 1 40 40 GLY CA C 40 41.520 41.520 45.267 -3.747 19203 2209 1 6 . 1 1 40 40 GLY H H 40 7.172 7.172 7.932 -0.760 19203 2210 1 6 . 1 1 41 41 ASP N N 41 116.412 116.412 120.178 -3.766 19203 2211 1 6 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.774 -0.323 19203 2212 1 6 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.302 -0.054 19203 2213 1 6 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.696 -5.309 19203 2214 1 6 . 1 1 41 41 ASP H H 41 7.917 7.917 7.828 0.089 19203 2215 1 6 . 1 1 42 42 VAL N N 42 128.043 128.043 121.635 6.408 19203 2216 1 6 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.075 -0.049 19203 2217 1 6 . 1 1 42 42 VAL CA C 42 58.823 58.823 59.425 -0.602 19203 2218 1 6 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.579 -1.635 19203 2219 1 6 . 1 1 42 42 VAL H H 42 8.366 8.366 8.179 0.187 19203 2220 1 6 . 1 1 43 43 CYS N N 43 122.686 122.686 123.782 -1.096 19203 2221 1 6 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.580 0.199 19203 2222 1 6 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.706 -3.567 19203 2223 1 6 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.637 -2.982 19203 2224 1 6 . 1 1 43 43 CYS H H 43 8.800 8.800 8.340 0.460 19203 2225 1 6 . 1 1 44 44 TYR N N 44 122.582 122.582 121.687 0.895 19203 2226 1 6 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.581 -0.145 19203 2227 1 6 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.509 -1.721 19203 2228 1 6 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.647 -1.844 19203 2229 1 6 . 1 1 44 44 TYR H H 44 7.420 7.420 7.893 -0.473 19203 2230 1 6 . 1 1 45 45 ALA N N 45 127.108 127.108 128.648 -1.540 19203 2231 1 6 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.937 0.004 19203 2232 1 6 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.651 -2.616 19203 2233 1 6 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.470 -2.231 19203 2234 1 6 . 1 1 45 45 ALA H H 45 7.107 7.107 7.763 -0.656 19203 2235 1 6 . 1 1 46 46 ASP N N 46 117.612 117.612 120.661 -3.049 19203 2236 1 6 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.637 -0.014 19203 2237 1 6 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.566 -3.047 19203 2238 1 6 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.215 -2.422 19203 2239 1 6 . 1 1 46 46 ASP H H 46 8.463 8.463 8.625 -0.162 19203 2240 1 6 . 1 1 47 47 VAL N N 47 116.535 116.535 122.554 -6.019 19203 2241 1 6 . 1 1 47 47 VAL HA H 47 4.246 4.246 3.809 0.437 19203 2242 1 6 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.017 -2.960 19203 2243 1 6 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.293 -1.392 19203 2244 1 6 . 1 1 47 47 VAL H H 47 8.096 8.096 8.275 -0.179 19203 2245 1 6 . 1 1 48 48 TYR N N 48 124.428 124.428 126.310 -1.882 19203 2246 1 6 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.555 0.388 19203 2247 1 6 . 1 1 48 48 TYR CA C 48 53.268 53.268 58.074 -4.806 19203 2248 1 6 . 1 1 48 48 TYR CB C 48 36.185 36.185 38.093 -1.907 19203 2249 1 6 . 1 1 48 48 TYR H H 48 8.673 8.673 7.316 1.357 19203 2250 1 6 . 1 1 49 49 ARG N N 49 117.750 117.750 120.458 -2.708 19203 2251 1 6 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.037 0.152 19203 2252 1 6 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.365 -3.251 19203 2253 1 6 . 1 1 49 49 ARG CB C 49 26.710 26.710 30.379 -3.669 19203 2254 1 6 . 1 1 49 49 ARG H H 49 8.520 8.520 8.729 -0.209 19203 2255 1 6 . 1 1 50 50 ASP N N 50 117.696 117.696 114.142 3.554 19203 2256 1 6 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.675 -0.095 19203 2257 1 6 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.048 -2.872 19203 2258 1 6 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.192 -5.287 19203 2259 1 6 . 1 1 50 50 ASP H H 50 7.960 7.960 7.690 0.270 19203 2260 1 6 . 1 1 51 51 GLY N N 51 108.367 108.367 106.190 2.177 19203 2261 1 6 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.427 -2.864 19203 2262 1 6 . 1 1 51 51 GLY H H 51 8.053 8.053 8.557 -0.504 19203 2263 1 6 . 1 1 52 52 THR N N 52 109.991 109.991 114.883 -4.892 19203 2264 1 6 . 1 1 52 52 THR HA H 52 5.497 5.497 4.999 0.498 19203 2265 1 6 . 1 1 52 52 THR CA C 52 57.040 57.040 60.407 -3.366 19203 2266 1 6 . 1 1 52 52 THR CB C 52 69.847 69.847 72.766 -2.919 19203 2267 1 6 . 1 1 52 52 THR H H 52 7.637 7.637 7.775 -0.138 19203 2268 1 6 . 1 1 53 53 GLY N N 53 105.727 105.727 106.410 -0.683 19203 2269 1 6 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.947 -1.649 19203 2270 1 6 . 1 1 53 53 GLY H H 53 8.801 8.801 8.339 0.462 19203 2271 1 6 . 1 1 54 54 VAL N N 54 117.327 117.327 121.758 -4.431 19203 2272 1 6 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.918 0.439 19203 2273 1 6 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.701 -2.881 19203 2274 1 6 . 1 1 54 54 VAL CB C 54 33.723 33.723 34.951 -1.228 19203 2275 1 6 . 1 1 54 54 VAL H H 54 8.585 8.585 8.269 0.316 19203 2276 1 6 . 1 1 55 55 VAL N N 55 120.925 120.925 125.972 -5.047 19203 2277 1 6 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.875 -0.244 19203 2278 1 6 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.955 -2.975 19203 2279 1 6 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.313 -3.525 19203 2280 1 6 . 1 1 55 55 VAL H H 55 8.475 8.475 9.114 -0.639 19203 2281 1 6 . 1 1 56 56 GLU N N 56 123.932 123.932 123.002 0.930 19203 2282 1 6 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.047 -0.049 19203 2283 1 6 . 1 1 56 56 GLU CA C 56 51.359 51.359 54.956 -3.597 19203 2284 1 6 . 1 1 56 56 GLU CB C 56 29.074 29.074 31.963 -2.889 19203 2285 1 6 . 1 1 56 56 GLU H H 56 8.896 8.896 8.954 -0.058 19203 2286 1 6 . 1 1 57 57 PHE N N 57 120.441 120.441 124.658 -4.217 19203 2287 1 6 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.598 0.391 19203 2288 1 6 . 1 1 57 57 PHE CA C 57 55.075 55.075 59.019 -3.944 19203 2289 1 6 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.375 -1.095 19203 2290 1 6 . 1 1 57 57 PHE H H 57 8.549 8.549 8.504 0.045 19203 2291 1 6 . 1 1 58 58 VAL N N 58 125.263 125.263 115.768 9.495 19203 2292 1 6 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.950 -0.378 19203 2293 1 6 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.126 0.267 19203 2294 1 6 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.344 -2.783 19203 2295 1 6 . 1 1 58 58 VAL H H 58 8.123 8.123 8.153 -0.030 19203 2296 1 6 . 1 1 59 59 ARG N N 59 117.434 117.434 119.237 -1.803 19203 2297 1 6 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.470 0.243 19203 2298 1 6 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.172 -3.131 19203 2299 1 6 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.133 -3.525 19203 2300 1 6 . 1 1 59 59 ARG H H 59 9.504 9.504 7.719 1.785 19203 2301 1 6 . 1 1 60 60 LYS N N 60 127.390 127.390 122.955 4.435 19203 2302 1 6 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.052 -0.426 19203 2303 1 6 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.523 -2.098 19203 2304 1 6 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.463 -2.823 19203 2305 1 6 . 1 1 60 60 LYS H H 60 8.955 8.955 8.848 0.107 19203 2306 1 6 . 1 1 61 61 GLU N N 61 117.610 117.610 119.738 -2.128 19203 2307 1 6 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.069 -0.096 19203 2308 1 6 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.946 -3.074 19203 2309 1 6 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.624 -2.533 19203 2310 1 6 . 1 1 61 61 GLU H H 61 9.814 9.814 8.909 0.905 19203 2311 1 6 . 1 1 62 62 ASP N N 62 121.439 121.439 119.395 2.044 19203 2312 1 6 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.513 -0.164 19203 2313 1 6 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.006 -3.583 19203 2314 1 6 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.689 -3.419 19203 2315 1 6 . 1 1 62 62 ASP H H 62 6.760 6.760 8.460 -1.700 19203 2316 1 6 . 1 1 63 63 MET N N 63 120.225 120.225 120.827 -0.602 19203 2317 1 6 . 1 1 63 63 MET HA H 63 3.070 3.070 3.557 -0.487 19203 2318 1 6 . 1 1 63 63 MET CA C 63 56.211 56.211 58.598 -2.387 19203 2319 1 6 . 1 1 63 63 MET CB C 63 30.414 30.414 31.978 -1.564 19203 2320 1 6 . 1 1 63 63 MET H H 63 6.863 6.863 8.421 -1.558 19203 2321 1 6 . 1 1 64 64 THR N N 64 113.874 113.874 115.343 -1.469 19203 2322 1 6 . 1 1 64 64 THR HA H 64 3.663 3.663 3.854 -0.191 19203 2323 1 6 . 1 1 64 64 THR CA C 64 63.733 63.733 66.601 -2.868 19203 2324 1 6 . 1 1 64 64 THR CB C 64 65.692 65.692 68.703 -3.011 19203 2325 1 6 . 1 1 64 64 THR H H 64 7.900 7.900 8.104 -0.204 19203 2326 1 6 . 1 1 65 65 TYR N N 65 122.573 122.573 122.429 0.144 19203 2327 1 6 . 1 1 65 65 TYR HA H 65 4.005 4.005 3.993 0.012 19203 2328 1 6 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.573 -3.123 19203 2329 1 6 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.311 -2.613 19203 2330 1 6 . 1 1 65 65 TYR H H 65 7.530 7.530 8.054 -0.524 19203 2331 1 6 . 1 1 66 66 ALA N N 66 120.898 120.898 120.645 0.253 19203 2332 1 6 . 1 1 66 66 ALA HA H 66 3.638 3.638 3.936 -0.298 19203 2333 1 6 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.315 -2.293 19203 2334 1 6 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.528 -0.946 19203 2335 1 6 . 1 1 66 66 ALA H H 66 8.144 8.144 8.284 -0.140 19203 2336 1 6 . 1 1 67 67 VAL N N 67 115.474 115.474 117.440 -1.966 19203 2337 1 6 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.701 -0.385 19203 2338 1 6 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.940 -2.291 19203 2339 1 6 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.639 -2.177 19203 2340 1 6 . 1 1 67 67 VAL H H 67 7.602 7.602 7.360 0.242 19203 2341 1 6 . 1 1 68 68 ARG N N 68 116.635 116.635 115.912 0.723 19203 2342 1 6 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.248 -0.206 19203 2343 1 6 . 1 1 68 68 ARG CA C 68 55.989 55.989 57.815 -1.826 19203 2344 1 6 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.423 -1.971 19203 2345 1 6 . 1 1 68 68 ARG H H 68 7.531 7.531 7.386 0.145 19203 2346 1 6 . 1 1 69 69 LYS N N 69 115.566 115.566 117.051 -1.485 19203 2347 1 6 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.324 -0.103 19203 2348 1 6 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.721 -3.152 19203 2349 1 6 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.311 -3.318 19203 2350 1 6 . 1 1 69 69 LYS H H 69 8.664 8.664 8.041 0.623 19203 2351 1 6 . 1 1 70 70 LEU N N 70 114.943 114.943 120.839 -5.896 19203 2352 1 6 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.495 0.331 19203 2353 1 6 . 1 1 70 70 LEU CA C 70 51.486 51.486 53.578 -2.092 19203 2354 1 6 . 1 1 70 70 LEU CB C 70 39.265 39.265 41.524 -2.259 19203 2355 1 6 . 1 1 70 70 LEU H H 70 8.164 8.164 7.776 0.388 19203 2356 1 6 . 1 1 71 71 ASP N N 71 119.864 119.864 119.069 0.795 19203 2357 1 6 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.644 -0.252 19203 2358 1 6 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.205 -0.021 19203 2359 1 6 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.834 -3.371 19203 2360 1 6 . 1 1 71 71 ASP H H 71 6.910 6.910 7.583 -0.673 19203 2361 1 6 . 1 1 72 72 ASN N N 72 123.602 123.602 117.389 6.213 19203 2362 1 6 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.677 0.004 19203 2363 1 6 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.570 -2.868 19203 2364 1 6 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.121 -3.061 19203 2365 1 6 . 1 1 72 72 ASN H H 72 9.037 9.037 8.679 0.358 19203 2366 1 6 . 1 1 73 73 THR N N 73 105.063 105.063 108.588 -3.525 19203 2367 1 6 . 1 1 73 73 THR HA H 73 4.674 4.674 4.363 0.311 19203 2368 1 6 . 1 1 73 73 THR CA C 73 57.397 57.397 62.110 -4.713 19203 2369 1 6 . 1 1 73 73 THR CB C 73 70.412 70.412 70.341 0.071 19203 2370 1 6 . 1 1 73 73 THR H H 73 7.187 7.187 7.856 -0.669 19203 2371 1 6 . 1 1 74 74 LYS N N 74 120.141 120.141 120.964 -0.823 19203 2372 1 6 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.696 -1.040 19203 2373 1 6 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.449 -3.616 19203 2374 1 6 . 1 1 74 74 LYS CB C 74 29.905 29.905 33.627 -3.723 19203 2375 1 6 . 1 1 74 74 LYS H H 74 8.384 8.384 8.459 -0.075 19203 2376 1 6 . 1 1 75 75 PHE N N 75 132.829 132.829 120.745 12.084 19203 2377 1 6 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.934 -0.618 19203 2378 1 6 . 1 1 75 75 PHE CA C 75 53.203 53.203 57.084 -3.881 19203 2379 1 6 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.817 -2.361 19203 2380 1 6 . 1 1 75 75 PHE H H 75 9.243 9.243 8.866 0.377 19203 2381 1 6 . 1 1 76 76 ARG N N 76 128.489 128.489 128.723 -0.234 19203 2382 1 6 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.493 0.305 19203 2383 1 6 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.432 -4.451 19203 2384 1 6 . 1 1 76 76 ARG CB C 76 30.374 30.374 30.271 0.103 19203 2385 1 6 . 1 1 76 76 ARG H H 76 8.293 8.293 7.478 0.815 19203 2386 1 6 . 1 1 77 77 SER N N 77 120.971 120.971 119.998 0.973 19203 2387 1 6 . 1 1 77 77 SER HA H 77 4.278 4.278 4.474 -0.196 19203 2388 1 6 . 1 1 77 77 SER CA C 77 53.406 53.406 58.079 -4.673 19203 2389 1 6 . 1 1 77 77 SER CB C 77 63.802 63.802 65.049 -1.247 19203 2390 1 6 . 1 1 77 77 SER H H 77 9.107 9.107 7.752 1.355 19203 2391 1 6 . 1 1 78 78 HIS N N 78 118.463 118.463 118.234 0.229 19203 2392 1 6 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.548 -0.173 19203 2393 1 6 . 1 1 78 78 HIS CA C 78 55.891 55.891 55.973 -0.082 19203 2394 1 6 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.400 -6.161 19203 2395 1 6 . 1 1 78 78 HIS H H 78 9.696 9.696 8.713 0.983 19203 2396 1 6 . 1 1 79 79 GLU N N 79 116.714 116.714 118.962 -2.248 19203 2397 1 6 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.263 0.080 19203 2398 1 6 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.284 -3.344 19203 2399 1 6 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.890 -2.377 19203 2400 1 6 . 1 1 79 79 GLU H H 79 7.053 7.053 7.606 -0.553 19203 2401 1 6 . 1 1 80 80 GLY N N 80 108.106 108.106 107.471 0.635 19203 2402 1 6 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.546 -2.909 19203 2403 1 6 . 1 1 80 80 GLY H H 80 7.835 7.835 8.518 -0.683 19203 2404 1 6 . 1 1 81 81 GLU N N 81 119.017 119.017 118.705 0.312 19203 2405 1 6 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.890 -0.556 19203 2406 1 6 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.385 -0.658 19203 2407 1 6 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.496 -2.018 19203 2408 1 6 . 1 1 81 81 GLU H H 81 7.067 7.067 7.924 -0.857 19203 2409 1 6 . 1 1 82 82 THR N N 82 114.312 114.312 112.069 2.243 19203 2410 1 6 . 1 1 82 82 THR HA H 82 5.771 5.771 5.050 0.721 19203 2411 1 6 . 1 1 82 82 THR CA C 82 56.694 56.694 60.708 -4.014 19203 2412 1 6 . 1 1 82 82 THR CB C 82 69.359 69.359 71.155 -1.796 19203 2413 1 6 . 1 1 82 82 THR H H 82 8.499 8.499 8.267 0.232 19203 2414 1 6 . 1 1 83 83 ALA N N 83 123.125 123.125 128.372 -5.247 19203 2415 1 6 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.637 -0.196 19203 2416 1 6 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.599 -1.502 19203 2417 1 6 . 1 1 83 83 ALA CB C 83 21.499 21.499 20.851 0.648 19203 2418 1 6 . 1 1 83 83 ALA H H 83 8.674 8.674 8.839 -0.165 19203 2419 1 6 . 1 1 84 84 TYR N N 84 120.587 120.587 116.330 4.257 19203 2420 1 6 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.607 -0.634 19203 2421 1 6 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.031 -0.130 19203 2422 1 6 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.977 -3.825 19203 2423 1 6 . 1 1 84 84 TYR H H 84 8.708 8.708 8.419 0.289 19203 2424 1 6 . 1 1 85 85 ILE N N 85 116.081 116.081 113.569 2.512 19203 2425 1 6 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.897 -0.045 19203 2426 1 6 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.546 -1.617 19203 2427 1 6 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.397 -4.022 19203 2428 1 6 . 1 1 85 85 ILE H H 85 8.182 8.182 8.447 -0.265 19203 2429 1 6 . 1 1 86 86 ARG N N 86 117.289 117.289 118.285 -0.996 19203 2430 1 6 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.301 -0.064 19203 2431 1 6 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.604 -4.457 19203 2432 1 6 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.515 -7.042 19203 2433 1 6 . 1 1 86 86 ARG H H 86 8.250 8.250 8.456 -0.206 19203 2434 1 6 . 1 1 87 87 VAL N N 87 121.679 121.679 121.218 0.461 19203 2435 1 6 . 1 1 87 87 VAL HA H 87 4.633 4.633 5.012 -0.379 19203 2436 1 6 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.644 -2.005 19203 2437 1 6 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.529 -1.900 19203 2438 1 6 . 1 1 87 87 VAL H H 87 8.983 8.983 9.282 -0.299 19203 2439 1 6 . 1 1 88 88 LYS N N 88 123.579 123.579 125.174 -1.595 19203 2440 1 6 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.654 0.099 19203 2441 1 6 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.302 -2.404 19203 2442 1 6 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.470 -1.327 19203 2443 1 6 . 1 1 88 88 LYS H H 88 8.679 8.679 8.653 0.026 19203 2444 1 6 . 1 1 89 89 VAL N N 89 119.787 119.787 121.233 -1.446 19203 2445 1 6 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.013 0.112 19203 2446 1 6 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.336 -1.296 19203 2447 1 6 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.644 -1.303 19203 2448 1 6 . 1 1 89 89 VAL H H 89 8.454 8.454 8.488 -0.034 19203 2449 1 7 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.862 -0.329 19203 2450 1 7 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.261 -3.376 19203 2451 1 7 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.752 -4.130 19203 2452 1 7 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.530 0.296 19203 2453 1 7 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.770 -4.462 19203 2454 1 7 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.444 -4.652 19203 2455 1 7 . 1 1 4 4 ARG N N 4 121.678 121.678 120.329 1.349 19203 2456 1 7 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.475 -0.254 19203 2457 1 7 . 1 1 4 4 ARG CA C 4 53.575 53.575 56.467 -2.892 19203 2458 1 7 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.715 -3.248 19203 2459 1 7 . 1 1 4 4 ARG H H 4 8.483 8.483 8.442 0.041 19203 2460 1 7 . 1 1 5 5 GLY N N 5 109.928 109.928 114.706 -4.778 19203 2461 1 7 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.021 -2.353 19203 2462 1 7 . 1 1 5 5 GLY H H 5 8.344 8.344 8.880 -0.536 19203 2463 1 7 . 1 1 6 6 ARG N N 6 120.896 120.896 118.607 2.289 19203 2464 1 7 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.539 -0.397 19203 2465 1 7 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.167 -1.648 19203 2466 1 7 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.068 -2.850 19203 2467 1 7 . 1 1 6 6 ARG H H 6 8.144 8.144 7.674 0.470 19203 2468 1 7 . 1 1 7 7 TYR N N 7 121.118 121.118 120.818 0.300 19203 2469 1 7 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.424 0.136 19203 2470 1 7 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.471 -3.666 19203 2471 1 7 . 1 1 7 7 TYR CB C 7 36.504 36.504 38.755 -2.251 19203 2472 1 7 . 1 1 7 7 TYR H H 7 8.218 8.218 8.515 -0.297 19203 2473 1 7 . 1 1 8 8 GLY N N 8 110.613 110.613 108.237 2.376 19203 2474 1 7 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.125 -2.220 19203 2475 1 7 . 1 1 8 8 GLY H H 8 8.021 8.021 8.019 0.002 19203 2476 1 7 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.713 -0.146 19203 2477 1 7 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.751 -2.951 19203 2478 1 7 . 1 1 9 9 PRO CB C 9 28.361 28.361 30.941 -2.580 19203 2479 1 7 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.346 0.018 19203 2480 1 7 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.251 -2.837 19203 2481 1 7 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.936 -1.469 19203 2482 1 7 . 1 1 11 11 SER N N 11 116.042 116.042 118.699 -2.657 19203 2483 1 7 . 1 1 11 11 SER HA H 11 4.394 4.394 4.744 -0.350 19203 2484 1 7 . 1 1 11 11 SER CA C 11 55.641 55.641 57.514 -1.873 19203 2485 1 7 . 1 1 11 11 SER CB C 11 61.349 61.349 64.634 -3.285 19203 2486 1 7 . 1 1 11 11 SER H H 11 8.263 8.263 8.067 0.196 19203 2487 1 7 . 1 1 12 12 ARG N N 12 123.432 123.432 122.137 1.295 19203 2488 1 7 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.581 -0.292 19203 2489 1 7 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.233 -1.922 19203 2490 1 7 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.674 -2.948 19203 2491 1 7 . 1 1 12 12 ARG H H 12 8.317 8.317 8.379 -0.062 19203 2492 1 7 . 1 1 13 13 ARG N N 13 119.550 119.550 121.543 -1.993 19203 2493 1 7 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.911 -2.328 19203 2494 1 7 . 1 1 13 13 ARG H H 13 7.967 7.967 8.722 -0.755 19203 2495 1 7 . 1 1 14 14 SER N N 14 117.366 117.366 111.731 5.635 19203 2496 1 7 . 1 1 14 14 SER HA H 14 4.588 4.588 4.592 -0.004 19203 2497 1 7 . 1 1 14 14 SER CA C 14 54.505 54.505 57.589 -3.084 19203 2498 1 7 . 1 1 14 14 SER CB C 14 63.906 63.906 65.030 -1.124 19203 2499 1 7 . 1 1 14 14 SER H H 14 8.660 8.660 7.811 0.849 19203 2500 1 7 . 1 1 15 15 GLU N N 15 116.212 116.212 122.381 -6.169 19203 2501 1 7 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.286 0.026 19203 2502 1 7 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.736 -3.789 19203 2503 1 7 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.550 -0.443 19203 2504 1 7 . 1 1 15 15 GLU H H 15 8.472 8.472 8.782 -0.310 19203 2505 1 7 . 1 1 16 16 ASN N N 16 120.295 120.295 115.078 5.217 19203 2506 1 7 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.933 0.065 19203 2507 1 7 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.637 -2.706 19203 2508 1 7 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.669 -6.358 19203 2509 1 7 . 1 1 16 16 ASN H H 16 8.326 8.326 8.364 -0.038 19203 2510 1 7 . 1 1 17 17 ARG N N 17 123.774 123.774 121.092 2.682 19203 2511 1 7 . 1 1 17 17 ARG HA H 17 5.269 5.269 5.098 0.171 19203 2512 1 7 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.224 -2.384 19203 2513 1 7 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.633 -2.211 19203 2514 1 7 . 1 1 17 17 ARG H H 17 7.726 7.726 7.620 0.106 19203 2515 1 7 . 1 1 18 18 VAL N N 18 117.634 117.634 121.330 -3.696 19203 2516 1 7 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.216 -0.174 19203 2517 1 7 . 1 1 18 18 VAL CA C 18 56.090 56.090 60.127 -4.037 19203 2518 1 7 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.414 -3.668 19203 2519 1 7 . 1 1 18 18 VAL H H 18 9.197 9.197 8.830 0.367 19203 2520 1 7 . 1 1 19 19 VAL N N 19 119.956 119.956 120.405 -0.449 19203 2521 1 7 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.849 0.076 19203 2522 1 7 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.281 -2.510 19203 2523 1 7 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.134 -3.559 19203 2524 1 7 . 1 1 19 19 VAL H H 19 9.111 9.111 8.862 0.249 19203 2525 1 7 . 1 1 20 20 VAL N N 20 125.976 125.976 125.489 0.487 19203 2526 1 7 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.008 0.361 19203 2527 1 7 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.685 -4.171 19203 2528 1 7 . 1 1 20 20 VAL CB C 20 32.047 32.047 33.593 -1.546 19203 2529 1 7 . 1 1 20 20 VAL H H 20 8.678 8.678 9.051 -0.373 19203 2530 1 7 . 1 1 21 21 SER N N 21 117.905 117.905 117.382 0.523 19203 2531 1 7 . 1 1 21 21 SER HA H 21 5.075 5.075 5.079 -0.004 19203 2532 1 7 . 1 1 21 21 SER CA C 21 54.228 54.228 56.600 -2.372 19203 2533 1 7 . 1 1 21 21 SER CB C 21 63.312 63.312 66.385 -3.073 19203 2534 1 7 . 1 1 21 21 SER H H 21 8.917 8.917 8.608 0.309 19203 2535 1 7 . 1 1 22 22 GLY N N 22 108.144 108.144 109.058 -0.914 19203 2536 1 7 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.151 -2.686 19203 2537 1 7 . 1 1 22 22 GLY H H 22 8.079 8.079 8.635 -0.556 19203 2538 1 7 . 1 1 23 23 LEU N N 23 119.379 119.379 121.463 -2.084 19203 2539 1 7 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.151 -0.728 19203 2540 1 7 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.749 -2.876 19203 2541 1 7 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.492 -3.413 19203 2542 1 7 . 1 1 23 23 LEU H H 23 8.485 8.485 7.364 1.121 19203 2543 1 7 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.987 -3.088 19203 2544 1 7 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.520 -0.262 19203 2545 1 7 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.502 -1.743 19203 2546 1 7 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.776 -2.547 19203 2547 1 7 . 1 1 26 26 SER N N 26 106.249 106.249 112.883 -6.634 19203 2548 1 7 . 1 1 26 26 SER HA H 26 4.319 4.319 4.636 -0.317 19203 2549 1 7 . 1 1 26 26 SER CA C 26 55.722 55.722 57.866 -2.144 19203 2550 1 7 . 1 1 26 26 SER CB C 26 61.171 61.171 63.888 -2.717 19203 2551 1 7 . 1 1 26 26 SER H H 26 7.309 7.309 7.594 -0.285 19203 2552 1 7 . 1 1 27 27 GLY N N 27 107.883 107.883 110.884 -3.001 19203 2553 1 7 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.882 -0.678 19203 2554 1 7 . 1 1 27 27 GLY H H 27 8.075 8.075 7.686 0.389 19203 2555 1 7 . 1 1 28 28 SER N N 28 123.917 123.917 118.342 5.575 19203 2556 1 7 . 1 1 28 28 SER HA H 28 4.903 4.903 4.509 0.394 19203 2557 1 7 . 1 1 28 28 SER CA C 28 53.260 53.260 57.858 -4.598 19203 2558 1 7 . 1 1 28 28 SER CB C 28 64.609 64.609 64.497 0.112 19203 2559 1 7 . 1 1 28 28 SER H H 28 9.021 9.021 7.781 1.240 19203 2560 1 7 . 1 1 29 29 TRP N N 29 120.079 120.079 121.871 -1.792 19203 2561 1 7 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.335 -0.311 19203 2562 1 7 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.322 -1.258 19203 2563 1 7 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.636 -3.414 19203 2564 1 7 . 1 1 29 29 TRP H H 29 9.042 9.042 8.639 0.403 19203 2565 1 7 . 1 1 30 30 GLN N N 30 123.085 123.085 120.818 2.267 19203 2566 1 7 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.981 -0.787 19203 2567 1 7 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.383 -2.417 19203 2568 1 7 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.596 -2.912 19203 2569 1 7 . 1 1 30 30 GLN H H 30 7.587 7.587 7.837 -0.250 19203 2570 1 7 . 1 1 31 31 ASP N N 31 120.127 120.127 120.640 -0.513 19203 2571 1 7 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.376 -0.226 19203 2572 1 7 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.986 -2.651 19203 2573 1 7 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.833 -1.561 19203 2574 1 7 . 1 1 31 31 ASP H H 31 7.697 7.697 7.641 0.056 19203 2575 1 7 . 1 1 32 32 LEU N N 32 122.010 122.010 121.097 0.913 19203 2576 1 7 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.284 -0.079 19203 2577 1 7 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.521 -2.982 19203 2578 1 7 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.460 -2.459 19203 2579 1 7 . 1 1 32 32 LEU H H 32 8.260 8.260 8.534 -0.274 19203 2580 1 7 . 1 1 33 33 LYS N N 33 120.333 120.333 119.028 1.305 19203 2581 1 7 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.020 -0.508 19203 2582 1 7 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.907 -1.422 19203 2583 1 7 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.378 -2.739 19203 2584 1 7 . 1 1 33 33 LYS H H 33 8.506 8.506 8.023 0.483 19203 2585 1 7 . 1 1 34 34 ASP N N 34 117.666 117.666 117.029 0.637 19203 2586 1 7 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.452 -0.169 19203 2587 1 7 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.663 -1.781 19203 2588 1 7 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.124 -3.584 19203 2589 1 7 . 1 1 34 34 ASP H H 34 8.353 8.353 7.745 0.608 19203 2590 1 7 . 1 1 35 35 HIS N N 35 119.654 119.654 117.154 2.500 19203 2591 1 7 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.721 -0.614 19203 2592 1 7 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.666 -0.342 19203 2593 1 7 . 1 1 35 35 HIS CB C 35 30.265 30.265 32.010 -1.745 19203 2594 1 7 . 1 1 35 35 HIS H H 35 7.943 7.943 8.300 -0.357 19203 2595 1 7 . 1 1 36 36 MET N N 36 111.628 111.628 120.442 -8.814 19203 2596 1 7 . 1 1 36 36 MET HA H 36 4.572 4.572 4.661 -0.089 19203 2597 1 7 . 1 1 36 36 MET CA C 36 52.172 52.172 55.881 -3.709 19203 2598 1 7 . 1 1 36 36 MET CB C 36 31.060 31.060 31.763 -0.703 19203 2599 1 7 . 1 1 36 36 MET H H 36 7.812 7.812 8.508 -0.696 19203 2600 1 7 . 1 1 37 37 ARG N N 37 119.419 119.419 116.595 2.824 19203 2601 1 7 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.487 0.146 19203 2602 1 7 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.622 -1.215 19203 2603 1 7 . 1 1 37 37 ARG CB C 37 27.001 27.001 30.339 -3.338 19203 2604 1 7 . 1 1 37 37 ARG H H 37 7.929 7.929 8.131 -0.202 19203 2605 1 7 . 1 1 38 38 GLU N N 38 118.450 118.450 121.857 -3.407 19203 2606 1 7 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.055 -0.068 19203 2607 1 7 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.578 -2.991 19203 2608 1 7 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.547 -2.090 19203 2609 1 7 . 1 1 38 38 GLU H H 38 7.524 7.524 7.927 -0.403 19203 2610 1 7 . 1 1 39 39 ALA N N 39 118.496 118.496 117.821 0.675 19203 2611 1 7 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.570 -0.591 19203 2612 1 7 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.833 -2.607 19203 2613 1 7 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.350 -1.693 19203 2614 1 7 . 1 1 39 39 ALA H H 39 7.958 7.958 8.187 -0.229 19203 2615 1 7 . 1 1 40 40 GLY N N 40 101.970 101.970 106.043 -4.073 19203 2616 1 7 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.842 -3.322 19203 2617 1 7 . 1 1 40 40 GLY H H 40 7.172 7.172 7.804 -0.632 19203 2618 1 7 . 1 1 41 41 ASP N N 41 116.412 116.412 121.079 -4.667 19203 2619 1 7 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.884 -0.433 19203 2620 1 7 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.403 -0.155 19203 2621 1 7 . 1 1 41 41 ASP CB C 41 38.386 38.386 44.166 -5.780 19203 2622 1 7 . 1 1 41 41 ASP H H 41 7.917 7.917 8.310 -0.393 19203 2623 1 7 . 1 1 42 42 VAL N N 42 128.043 128.043 120.227 7.816 19203 2624 1 7 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.012 0.014 19203 2625 1 7 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.832 -2.009 19203 2626 1 7 . 1 1 42 42 VAL CB C 42 31.944 31.944 35.030 -3.086 19203 2627 1 7 . 1 1 42 42 VAL H H 42 8.366 8.366 8.216 0.150 19203 2628 1 7 . 1 1 43 43 CYS N N 43 122.686 122.686 123.840 -1.154 19203 2629 1 7 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.741 0.038 19203 2630 1 7 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.910 -3.772 19203 2631 1 7 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.486 -1.831 19203 2632 1 7 . 1 1 43 43 CYS H H 43 8.800 8.800 8.427 0.373 19203 2633 1 7 . 1 1 44 44 TYR N N 44 122.582 122.582 120.314 2.268 19203 2634 1 7 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.524 -0.088 19203 2635 1 7 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.005 -2.217 19203 2636 1 7 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.720 -1.917 19203 2637 1 7 . 1 1 44 44 TYR H H 44 7.420 7.420 7.560 -0.140 19203 2638 1 7 . 1 1 45 45 ALA N N 45 127.108 127.108 126.188 0.920 19203 2639 1 7 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.269 0.672 19203 2640 1 7 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.848 -3.813 19203 2641 1 7 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.485 -1.246 19203 2642 1 7 . 1 1 45 45 ALA H H 45 7.107 7.107 7.324 -0.217 19203 2643 1 7 . 1 1 46 46 ASP N N 46 117.612 117.612 122.012 -4.400 19203 2644 1 7 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.673 -0.050 19203 2645 1 7 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.058 -3.539 19203 2646 1 7 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.188 -2.395 19203 2647 1 7 . 1 1 46 46 ASP H H 46 8.463 8.463 8.291 0.172 19203 2648 1 7 . 1 1 47 47 VAL N N 47 116.535 116.535 117.945 -1.410 19203 2649 1 7 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.002 0.244 19203 2650 1 7 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.289 -2.232 19203 2651 1 7 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.223 -2.322 19203 2652 1 7 . 1 1 47 47 VAL H H 47 8.096 8.096 8.105 -0.009 19203 2653 1 7 . 1 1 48 48 TYR N N 48 124.428 124.428 117.175 7.253 19203 2654 1 7 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.061 -0.118 19203 2655 1 7 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.985 -3.717 19203 2656 1 7 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.639 -3.454 19203 2657 1 7 . 1 1 48 48 TYR H H 48 8.673 8.673 7.380 1.293 19203 2658 1 7 . 1 1 49 49 ARG N N 49 117.750 117.750 119.418 -1.668 19203 2659 1 7 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.903 0.286 19203 2660 1 7 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.320 -3.206 19203 2661 1 7 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.942 -2.232 19203 2662 1 7 . 1 1 49 49 ARG H H 49 8.520 8.520 8.771 -0.251 19203 2663 1 7 . 1 1 50 50 ASP N N 50 117.696 117.696 118.153 -0.457 19203 2664 1 7 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.708 -0.128 19203 2665 1 7 . 1 1 50 50 ASP CA C 50 50.176 50.176 52.998 -2.822 19203 2666 1 7 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.462 -5.557 19203 2667 1 7 . 1 1 50 50 ASP H H 50 7.960 7.960 7.882 0.078 19203 2668 1 7 . 1 1 51 51 GLY N N 51 108.367 108.367 104.883 3.484 19203 2669 1 7 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.211 -2.648 19203 2670 1 7 . 1 1 51 51 GLY H H 51 8.053 8.053 8.361 -0.308 19203 2671 1 7 . 1 1 52 52 THR N N 52 109.991 109.991 112.642 -2.651 19203 2672 1 7 . 1 1 52 52 THR HA H 52 5.497 5.497 5.203 0.294 19203 2673 1 7 . 1 1 52 52 THR CA C 52 57.040 57.040 60.700 -3.660 19203 2674 1 7 . 1 1 52 52 THR CB C 52 69.847 69.847 72.799 -2.952 19203 2675 1 7 . 1 1 52 52 THR H H 52 7.637 7.637 7.171 0.466 19203 2676 1 7 . 1 1 53 53 GLY N N 53 105.727 105.727 106.929 -1.202 19203 2677 1 7 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.334 -2.036 19203 2678 1 7 . 1 1 53 53 GLY H H 53 8.801 8.801 8.211 0.590 19203 2679 1 7 . 1 1 54 54 VAL N N 54 117.327 117.327 122.346 -5.019 19203 2680 1 7 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.823 0.534 19203 2681 1 7 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.850 -3.030 19203 2682 1 7 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.279 -1.556 19203 2683 1 7 . 1 1 54 54 VAL H H 54 8.585 8.585 8.523 0.062 19203 2684 1 7 . 1 1 55 55 VAL N N 55 120.925 120.925 126.352 -5.427 19203 2685 1 7 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.787 -0.156 19203 2686 1 7 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.604 -2.624 19203 2687 1 7 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.307 -3.519 19203 2688 1 7 . 1 1 55 55 VAL H H 55 8.475 8.475 9.113 -0.638 19203 2689 1 7 . 1 1 56 56 GLU N N 56 123.932 123.932 123.075 0.857 19203 2690 1 7 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.026 -0.028 19203 2691 1 7 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.382 -4.023 19203 2692 1 7 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.479 -3.405 19203 2693 1 7 . 1 1 56 56 GLU H H 56 8.896 8.896 8.949 -0.053 19203 2694 1 7 . 1 1 57 57 PHE N N 57 120.441 120.441 125.007 -4.566 19203 2695 1 7 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.527 0.462 19203 2696 1 7 . 1 1 57 57 PHE CA C 57 55.075 55.075 58.612 -3.537 19203 2697 1 7 . 1 1 57 57 PHE CB C 57 39.280 39.280 39.712 -0.432 19203 2698 1 7 . 1 1 57 57 PHE H H 57 8.549 8.549 9.458 -0.909 19203 2699 1 7 . 1 1 58 58 VAL N N 58 125.263 125.263 120.536 4.727 19203 2700 1 7 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.867 -0.295 19203 2701 1 7 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.415 -1.022 19203 2702 1 7 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.073 -2.512 19203 2703 1 7 . 1 1 58 58 VAL H H 58 8.123 8.123 8.758 -0.635 19203 2704 1 7 . 1 1 59 59 ARG N N 59 117.434 117.434 115.413 2.021 19203 2705 1 7 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.699 0.014 19203 2706 1 7 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.479 -2.438 19203 2707 1 7 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.492 -2.884 19203 2708 1 7 . 1 1 59 59 ARG H H 59 9.504 9.504 7.519 1.985 19203 2709 1 7 . 1 1 60 60 LYS N N 60 127.390 127.390 121.259 6.131 19203 2710 1 7 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.130 -0.504 19203 2711 1 7 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.467 -2.042 19203 2712 1 7 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.371 -2.731 19203 2713 1 7 . 1 1 60 60 LYS H H 60 8.955 8.955 8.841 0.114 19203 2714 1 7 . 1 1 61 61 GLU N N 61 117.610 117.610 119.538 -1.928 19203 2715 1 7 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.088 -0.115 19203 2716 1 7 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.722 -2.850 19203 2717 1 7 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.528 -2.437 19203 2718 1 7 . 1 1 61 61 GLU H H 61 9.814 9.814 8.872 0.942 19203 2719 1 7 . 1 1 62 62 ASP N N 62 121.439 121.439 120.045 1.394 19203 2720 1 7 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.460 -0.111 19203 2721 1 7 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.261 -3.837 19203 2722 1 7 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.615 -3.345 19203 2723 1 7 . 1 1 62 62 ASP H H 62 6.760 6.760 8.461 -1.701 19203 2724 1 7 . 1 1 63 63 MET N N 63 120.225 120.225 120.040 0.185 19203 2725 1 7 . 1 1 63 63 MET HA H 63 3.070 3.070 3.444 -0.374 19203 2726 1 7 . 1 1 63 63 MET CA C 63 56.211 56.211 58.475 -2.264 19203 2727 1 7 . 1 1 63 63 MET CB C 63 30.414 30.414 31.959 -1.544 19203 2728 1 7 . 1 1 63 63 MET H H 63 6.863 6.863 8.145 -1.282 19203 2729 1 7 . 1 1 64 64 THR N N 64 113.874 113.874 115.710 -1.836 19203 2730 1 7 . 1 1 64 64 THR HA H 64 3.663 3.663 3.928 -0.265 19203 2731 1 7 . 1 1 64 64 THR CA C 64 63.733 63.733 67.076 -3.343 19203 2732 1 7 . 1 1 64 64 THR CB C 64 65.692 65.692 68.576 -2.884 19203 2733 1 7 . 1 1 64 64 THR H H 64 7.900 7.900 8.328 -0.428 19203 2734 1 7 . 1 1 65 65 TYR N N 65 122.573 122.573 122.473 0.100 19203 2735 1 7 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.062 -0.057 19203 2736 1 7 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.623 -3.173 19203 2737 1 7 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.292 -2.594 19203 2738 1 7 . 1 1 65 65 TYR H H 65 7.530 7.530 8.381 -0.851 19203 2739 1 7 . 1 1 66 66 ALA N N 66 120.898 120.898 121.475 -0.577 19203 2740 1 7 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.100 -0.462 19203 2741 1 7 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.235 -2.213 19203 2742 1 7 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.791 -1.209 19203 2743 1 7 . 1 1 66 66 ALA H H 66 8.144 8.144 7.898 0.246 19203 2744 1 7 . 1 1 67 67 VAL N N 67 115.474 115.474 115.144 0.330 19203 2745 1 7 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.809 -0.493 19203 2746 1 7 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.338 -0.689 19203 2747 1 7 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.573 -2.111 19203 2748 1 7 . 1 1 67 67 VAL H H 67 7.602 7.602 7.482 0.120 19203 2749 1 7 . 1 1 68 68 ARG N N 68 116.635 116.635 117.234 -0.599 19203 2750 1 7 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.359 -0.317 19203 2751 1 7 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.376 -0.387 19203 2752 1 7 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.669 -2.217 19203 2753 1 7 . 1 1 68 68 ARG H H 68 7.531 7.531 7.608 -0.077 19203 2754 1 7 . 1 1 69 69 LYS N N 69 115.566 115.566 116.393 -0.827 19203 2755 1 7 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.373 -0.152 19203 2756 1 7 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.494 -2.925 19203 2757 1 7 . 1 1 69 69 LYS CB C 69 30.993 30.993 33.633 -2.639 19203 2758 1 7 . 1 1 69 69 LYS H H 69 8.664 8.664 8.301 0.363 19203 2759 1 7 . 1 1 70 70 LEU N N 70 114.943 114.943 120.266 -5.323 19203 2760 1 7 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.585 0.241 19203 2761 1 7 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.319 -2.833 19203 2762 1 7 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.592 -3.327 19203 2763 1 7 . 1 1 70 70 LEU H H 70 8.164 8.164 7.791 0.373 19203 2764 1 7 . 1 1 71 71 ASP N N 71 119.864 119.864 118.685 1.179 19203 2765 1 7 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.681 -0.289 19203 2766 1 7 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.779 0.405 19203 2767 1 7 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.926 -3.463 19203 2768 1 7 . 1 1 71 71 ASP H H 71 6.910 6.910 7.542 -0.632 19203 2769 1 7 . 1 1 72 72 ASN N N 72 123.602 123.602 119.695 3.907 19203 2770 1 7 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.523 0.158 19203 2771 1 7 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.480 -2.778 19203 2772 1 7 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.652 -2.592 19203 2773 1 7 . 1 1 72 72 ASN H H 72 9.037 9.037 8.452 0.585 19203 2774 1 7 . 1 1 73 73 THR N N 73 105.063 105.063 109.173 -4.110 19203 2775 1 7 . 1 1 73 73 THR HA H 73 4.674 4.674 4.546 0.128 19203 2776 1 7 . 1 1 73 73 THR CA C 73 57.397 57.397 61.575 -4.178 19203 2777 1 7 . 1 1 73 73 THR CB C 73 70.412 70.412 70.448 -0.036 19203 2778 1 7 . 1 1 73 73 THR H H 73 7.187 7.187 7.670 -0.483 19203 2779 1 7 . 1 1 74 74 LYS N N 74 120.141 120.141 120.093 0.048 19203 2780 1 7 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.850 -1.194 19203 2781 1 7 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.008 -3.175 19203 2782 1 7 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.243 -4.338 19203 2783 1 7 . 1 1 74 74 LYS H H 74 8.384 8.384 8.342 0.042 19203 2784 1 7 . 1 1 75 75 PHE N N 75 132.829 132.829 120.160 12.669 19203 2785 1 7 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.086 0.230 19203 2786 1 7 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.160 -2.957 19203 2787 1 7 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.914 -2.458 19203 2788 1 7 . 1 1 75 75 PHE H H 75 9.243 9.243 8.774 0.469 19203 2789 1 7 . 1 1 76 76 ARG N N 76 128.489 128.489 121.957 6.532 19203 2790 1 7 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.504 0.294 19203 2791 1 7 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.306 -3.325 19203 2792 1 7 . 1 1 76 76 ARG CB C 76 30.374 30.374 32.168 -1.794 19203 2793 1 7 . 1 1 76 76 ARG H H 76 8.293 8.293 6.740 1.553 19203 2794 1 7 . 1 1 77 77 SER N N 77 120.971 120.971 116.711 4.260 19203 2795 1 7 . 1 1 77 77 SER HA H 77 4.278 4.278 4.489 -0.211 19203 2796 1 7 . 1 1 77 77 SER CA C 77 53.406 53.406 56.106 -2.700 19203 2797 1 7 . 1 1 77 77 SER CB C 77 63.802 63.802 64.628 -0.826 19203 2798 1 7 . 1 1 77 77 SER H H 77 9.107 9.107 8.169 0.938 19203 2799 1 7 . 1 1 78 78 HIS N N 78 118.463 118.463 123.616 -5.153 19203 2800 1 7 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.487 -0.112 19203 2801 1 7 . 1 1 78 78 HIS CA C 78 55.891 55.891 56.568 -0.677 19203 2802 1 7 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.695 -5.456 19203 2803 1 7 . 1 1 78 78 HIS H H 78 9.696 9.696 8.495 1.201 19203 2804 1 7 . 1 1 79 79 GLU N N 79 116.714 116.714 117.769 -1.055 19203 2805 1 7 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.221 0.122 19203 2806 1 7 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.356 -3.416 19203 2807 1 7 . 1 1 79 79 GLU CB C 79 27.513 27.513 30.494 -2.982 19203 2808 1 7 . 1 1 79 79 GLU H H 79 7.053 7.053 7.665 -0.612 19203 2809 1 7 . 1 1 80 80 GLY N N 80 108.106 108.106 107.310 0.796 19203 2810 1 7 . 1 1 80 80 GLY CA C 80 42.637 42.637 44.887 -2.250 19203 2811 1 7 . 1 1 80 80 GLY H H 80 7.835 7.835 8.110 -0.275 19203 2812 1 7 . 1 1 81 81 GLU N N 81 119.017 119.017 117.681 1.336 19203 2813 1 7 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.692 -0.358 19203 2814 1 7 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.809 -1.082 19203 2815 1 7 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.131 -1.653 19203 2816 1 7 . 1 1 81 81 GLU H H 81 7.067 7.067 7.999 -0.932 19203 2817 1 7 . 1 1 82 82 THR N N 82 114.312 114.312 111.560 2.752 19203 2818 1 7 . 1 1 82 82 THR HA H 82 5.771 5.771 5.021 0.750 19203 2819 1 7 . 1 1 82 82 THR CA C 82 56.694 56.694 60.759 -4.065 19203 2820 1 7 . 1 1 82 82 THR CB C 82 69.359 69.359 70.563 -1.204 19203 2821 1 7 . 1 1 82 82 THR H H 82 8.499 8.499 8.321 0.178 19203 2822 1 7 . 1 1 83 83 ALA N N 83 123.125 123.125 127.816 -4.691 19203 2823 1 7 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.832 -0.391 19203 2824 1 7 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.173 -1.076 19203 2825 1 7 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.809 -0.310 19203 2826 1 7 . 1 1 83 83 ALA H H 83 8.674 8.674 8.349 0.325 19203 2827 1 7 . 1 1 84 84 TYR N N 84 120.587 120.587 115.846 4.741 19203 2828 1 7 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.686 -0.713 19203 2829 1 7 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.677 0.223 19203 2830 1 7 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.537 -4.385 19203 2831 1 7 . 1 1 84 84 TYR H H 84 8.708 8.708 8.131 0.577 19203 2832 1 7 . 1 1 85 85 ILE N N 85 116.081 116.081 113.708 2.373 19203 2833 1 7 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.242 -0.390 19203 2834 1 7 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.377 -1.448 19203 2835 1 7 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.429 -4.054 19203 2836 1 7 . 1 1 85 85 ILE H H 85 8.182 8.182 8.418 -0.236 19203 2837 1 7 . 1 1 86 86 ARG N N 86 117.289 117.289 118.166 -0.877 19203 2838 1 7 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.220 0.017 19203 2839 1 7 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.861 -4.714 19203 2840 1 7 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.557 -7.084 19203 2841 1 7 . 1 1 86 86 ARG H H 86 8.250 8.250 8.051 0.199 19203 2842 1 7 . 1 1 87 87 VAL N N 87 121.679 121.679 120.996 0.683 19203 2843 1 7 . 1 1 87 87 VAL HA H 87 4.633 4.633 5.028 -0.395 19203 2844 1 7 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.658 -2.019 19203 2845 1 7 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.785 -2.156 19203 2846 1 7 . 1 1 87 87 VAL H H 87 8.983 8.983 9.118 -0.135 19203 2847 1 7 . 1 1 88 88 LYS N N 88 123.579 123.579 126.060 -2.481 19203 2848 1 7 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.779 -0.026 19203 2849 1 7 . 1 1 88 88 LYS CA C 88 51.898 51.898 53.935 -2.037 19203 2850 1 7 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.372 -1.229 19203 2851 1 7 . 1 1 88 88 LYS H H 88 8.679 8.679 8.955 -0.276 19203 2852 1 7 . 1 1 89 89 VAL N N 89 119.787 119.787 123.898 -4.111 19203 2853 1 7 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.941 0.184 19203 2854 1 7 . 1 1 89 89 VAL CA C 89 61.040 61.040 63.077 -2.037 19203 2855 1 7 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.849 -1.508 19203 2856 1 7 . 1 1 89 89 VAL H H 89 8.454 8.454 8.524 -0.070 19203 2857 1 8 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.202 -0.669 19203 2858 1 8 . 1 1 2 2 ALA CA C 2 47.885 47.885 50.375 -2.490 19203 2859 1 8 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.906 -5.284 19203 2860 1 8 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.645 0.181 19203 2861 1 8 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.229 -3.920 19203 2862 1 8 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.857 -5.065 19203 2863 1 8 . 1 1 4 4 ARG N N 4 121.678 121.678 120.383 1.295 19203 2864 1 8 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.649 -0.428 19203 2865 1 8 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.628 -2.053 19203 2866 1 8 . 1 1 4 4 ARG CB C 4 28.467 28.467 33.038 -4.571 19203 2867 1 8 . 1 1 4 4 ARG H H 4 8.483 8.483 8.412 0.071 19203 2868 1 8 . 1 1 5 5 GLY N N 5 109.928 109.928 108.703 1.225 19203 2869 1 8 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.349 -2.680 19203 2870 1 8 . 1 1 5 5 GLY H H 5 8.344 8.344 8.468 -0.124 19203 2871 1 8 . 1 1 6 6 ARG N N 6 120.896 120.896 123.432 -2.536 19203 2872 1 8 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.604 -0.462 19203 2873 1 8 . 1 1 6 6 ARG CA C 6 53.519 53.519 56.524 -3.005 19203 2874 1 8 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.544 -2.326 19203 2875 1 8 . 1 1 6 6 ARG H H 6 8.144 8.144 7.831 0.313 19203 2876 1 8 . 1 1 7 7 TYR N N 7 121.118 121.118 122.719 -1.601 19203 2877 1 8 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.345 0.215 19203 2878 1 8 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.699 -2.894 19203 2879 1 8 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.431 -2.927 19203 2880 1 8 . 1 1 7 7 TYR H H 7 8.218 8.218 8.168 0.050 19203 2881 1 8 . 1 1 8 8 GLY N N 8 110.613 110.613 115.678 -5.065 19203 2882 1 8 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.917 -2.012 19203 2883 1 8 . 1 1 8 8 GLY H H 8 8.021 8.021 8.160 -0.139 19203 2884 1 8 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.628 -0.061 19203 2885 1 8 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.778 -2.978 19203 2886 1 8 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.214 -2.853 19203 2887 1 8 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.480 -0.116 19203 2888 1 8 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.823 -2.409 19203 2889 1 8 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.350 -0.883 19203 2890 1 8 . 1 1 11 11 SER N N 11 116.042 116.042 118.139 -2.097 19203 2891 1 8 . 1 1 11 11 SER HA H 11 4.394 4.394 4.692 -0.298 19203 2892 1 8 . 1 1 11 11 SER CA C 11 55.641 55.641 57.869 -2.228 19203 2893 1 8 . 1 1 11 11 SER CB C 11 61.349 61.349 64.520 -3.171 19203 2894 1 8 . 1 1 11 11 SER H H 11 8.263 8.263 8.122 0.141 19203 2895 1 8 . 1 1 12 12 ARG N N 12 123.432 123.432 121.910 1.522 19203 2896 1 8 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.822 -0.533 19203 2897 1 8 . 1 1 12 12 ARG CA C 12 53.311 53.311 54.924 -1.613 19203 2898 1 8 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.987 -3.261 19203 2899 1 8 . 1 1 12 12 ARG H H 12 8.317 8.317 8.365 -0.048 19203 2900 1 8 . 1 1 13 13 ARG N N 13 119.550 119.550 120.009 -0.459 19203 2901 1 8 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.147 -2.564 19203 2902 1 8 . 1 1 13 13 ARG H H 13 7.967 7.967 8.652 -0.685 19203 2903 1 8 . 1 1 14 14 SER N N 14 117.366 117.366 113.739 3.627 19203 2904 1 8 . 1 1 14 14 SER HA H 14 4.588 4.588 4.662 -0.074 19203 2905 1 8 . 1 1 14 14 SER CA C 14 54.505 54.505 57.473 -2.968 19203 2906 1 8 . 1 1 14 14 SER CB C 14 63.906 63.906 65.423 -1.517 19203 2907 1 8 . 1 1 14 14 SER H H 14 8.660 8.660 7.835 0.825 19203 2908 1 8 . 1 1 15 15 GLU N N 15 116.212 116.212 121.062 -4.850 19203 2909 1 8 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.255 0.057 19203 2910 1 8 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.787 -3.840 19203 2911 1 8 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.160 -1.053 19203 2912 1 8 . 1 1 15 15 GLU H H 15 8.472 8.472 8.906 -0.434 19203 2913 1 8 . 1 1 16 16 ASN N N 16 120.295 120.295 115.897 4.398 19203 2914 1 8 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.969 0.028 19203 2915 1 8 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.483 -2.552 19203 2916 1 8 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.657 -6.346 19203 2917 1 8 . 1 1 16 16 ASN H H 16 8.326 8.326 8.111 0.214 19203 2918 1 8 . 1 1 17 17 ARG N N 17 123.774 123.774 122.142 1.632 19203 2919 1 8 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.840 0.429 19203 2920 1 8 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.195 -2.355 19203 2921 1 8 . 1 1 17 17 ARG CB C 17 31.422 31.422 32.251 -0.829 19203 2922 1 8 . 1 1 17 17 ARG H H 17 7.726 7.726 7.643 0.083 19203 2923 1 8 . 1 1 18 18 VAL N N 18 117.634 117.634 120.823 -3.189 19203 2924 1 8 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.162 -0.120 19203 2925 1 8 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.148 -3.058 19203 2926 1 8 . 1 1 18 18 VAL CB C 18 31.746 31.746 34.729 -2.983 19203 2927 1 8 . 1 1 18 18 VAL H H 18 9.197 9.197 7.963 1.234 19203 2928 1 8 . 1 1 19 19 VAL N N 19 119.956 119.956 119.104 0.852 19203 2929 1 8 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.899 0.026 19203 2930 1 8 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.191 -2.420 19203 2931 1 8 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.749 -4.175 19203 2932 1 8 . 1 1 19 19 VAL H H 19 9.111 9.111 8.429 0.682 19203 2933 1 8 . 1 1 20 20 VAL N N 20 125.976 125.976 122.016 3.960 19203 2934 1 8 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.827 0.542 19203 2935 1 8 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.499 -3.985 19203 2936 1 8 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.219 -3.172 19203 2937 1 8 . 1 1 20 20 VAL H H 20 8.678 8.678 9.042 -0.364 19203 2938 1 8 . 1 1 21 21 SER N N 21 117.905 117.905 118.598 -0.693 19203 2939 1 8 . 1 1 21 21 SER HA H 21 5.075 5.075 4.796 0.279 19203 2940 1 8 . 1 1 21 21 SER CA C 21 54.228 54.228 57.413 -3.184 19203 2941 1 8 . 1 1 21 21 SER CB C 21 63.312 63.312 65.997 -2.685 19203 2942 1 8 . 1 1 21 21 SER H H 21 8.917 8.917 8.928 -0.011 19203 2943 1 8 . 1 1 22 22 GLY N N 22 108.144 108.144 112.734 -4.590 19203 2944 1 8 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.204 -2.739 19203 2945 1 8 . 1 1 22 22 GLY H H 22 8.079 8.079 8.745 -0.666 19203 2946 1 8 . 1 1 23 23 LEU N N 23 119.379 119.379 119.779 -0.400 19203 2947 1 8 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.045 -0.622 19203 2948 1 8 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.405 -2.532 19203 2949 1 8 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.139 -2.061 19203 2950 1 8 . 1 1 23 23 LEU H H 23 8.485 8.485 7.653 0.832 19203 2951 1 8 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.944 -3.045 19203 2952 1 8 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.575 -0.317 19203 2953 1 8 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.253 -1.494 19203 2954 1 8 . 1 1 25 25 PRO CB C 25 29.229 29.229 32.034 -2.805 19203 2955 1 8 . 1 1 26 26 SER N N 26 106.249 106.249 115.309 -9.060 19203 2956 1 8 . 1 1 26 26 SER HA H 26 4.319 4.319 4.675 -0.356 19203 2957 1 8 . 1 1 26 26 SER CA C 26 55.722 55.722 57.579 -1.857 19203 2958 1 8 . 1 1 26 26 SER CB C 26 61.171 61.171 63.626 -2.455 19203 2959 1 8 . 1 1 26 26 SER H H 26 7.309 7.309 7.774 -0.465 19203 2960 1 8 . 1 1 27 27 GLY N N 27 107.883 107.883 109.396 -1.513 19203 2961 1 8 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.264 -0.060 19203 2962 1 8 . 1 1 27 27 GLY H H 27 8.075 8.075 7.501 0.574 19203 2963 1 8 . 1 1 28 28 SER N N 28 123.917 123.917 114.900 9.017 19203 2964 1 8 . 1 1 28 28 SER HA H 28 4.903 4.903 4.684 0.219 19203 2965 1 8 . 1 1 28 28 SER CA C 28 53.260 53.260 57.130 -3.870 19203 2966 1 8 . 1 1 28 28 SER CB C 28 64.609 64.609 66.442 -1.833 19203 2967 1 8 . 1 1 28 28 SER H H 28 9.021 9.021 8.287 0.734 19203 2968 1 8 . 1 1 29 29 TRP N N 29 120.079 120.079 122.362 -2.283 19203 2969 1 8 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.323 -0.299 19203 2970 1 8 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.408 -2.345 19203 2971 1 8 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.909 -3.687 19203 2972 1 8 . 1 1 29 29 TRP H H 29 9.042 9.042 8.690 0.352 19203 2973 1 8 . 1 1 30 30 GLN N N 30 123.085 123.085 120.293 2.792 19203 2974 1 8 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.128 -0.934 19203 2975 1 8 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.428 -2.462 19203 2976 1 8 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.827 -3.143 19203 2977 1 8 . 1 1 30 30 GLN H H 30 7.587 7.587 7.880 -0.293 19203 2978 1 8 . 1 1 31 31 ASP N N 31 120.127 120.127 120.508 -0.381 19203 2979 1 8 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.500 -0.350 19203 2980 1 8 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.866 -2.531 19203 2981 1 8 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.288 -1.016 19203 2982 1 8 . 1 1 31 31 ASP H H 31 7.697 7.697 7.757 -0.060 19203 2983 1 8 . 1 1 32 32 LEU N N 32 122.010 122.010 122.145 -0.135 19203 2984 1 8 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.278 -0.073 19203 2985 1 8 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.793 -3.254 19203 2986 1 8 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.704 -2.703 19203 2987 1 8 . 1 1 32 32 LEU H H 32 8.260 8.260 8.837 -0.577 19203 2988 1 8 . 1 1 33 33 LYS N N 33 120.333 120.333 119.033 1.300 19203 2989 1 8 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.117 -0.605 19203 2990 1 8 . 1 1 33 33 LYS CA C 33 58.485 58.485 60.106 -1.621 19203 2991 1 8 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.446 -2.807 19203 2992 1 8 . 1 1 33 33 LYS H H 33 8.506 8.506 8.350 0.156 19203 2993 1 8 . 1 1 34 34 ASP N N 34 117.666 117.666 118.600 -0.934 19203 2994 1 8 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.471 -0.188 19203 2995 1 8 . 1 1 34 34 ASP CA C 34 54.882 54.882 57.259 -2.377 19203 2996 1 8 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.045 -3.505 19203 2997 1 8 . 1 1 34 34 ASP H H 34 8.353 8.353 8.293 0.060 19203 2998 1 8 . 1 1 35 35 HIS N N 35 119.654 119.654 118.422 1.232 19203 2999 1 8 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.671 -0.564 19203 3000 1 8 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.871 -1.547 19203 3001 1 8 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.009 -0.745 19203 3002 1 8 . 1 1 35 35 HIS H H 35 7.943 7.943 7.899 0.044 19203 3003 1 8 . 1 1 36 36 MET N N 36 111.628 111.628 120.764 -9.136 19203 3004 1 8 . 1 1 36 36 MET HA H 36 4.572 4.572 4.347 0.225 19203 3005 1 8 . 1 1 36 36 MET CA C 36 52.172 52.172 58.274 -6.102 19203 3006 1 8 . 1 1 36 36 MET CB C 36 31.060 31.060 32.812 -1.752 19203 3007 1 8 . 1 1 36 36 MET H H 36 7.812 7.812 8.824 -1.012 19203 3008 1 8 . 1 1 37 37 ARG N N 37 119.419 119.419 118.747 0.672 19203 3009 1 8 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.038 0.595 19203 3010 1 8 . 1 1 37 37 ARG CA C 37 55.407 55.407 59.184 -3.777 19203 3011 1 8 . 1 1 37 37 ARG CB C 37 27.001 27.001 28.980 -1.979 19203 3012 1 8 . 1 1 37 37 ARG H H 37 7.929 7.929 7.851 0.078 19203 3013 1 8 . 1 1 38 38 GLU N N 38 118.450 118.450 118.957 -0.507 19203 3014 1 8 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.236 -0.249 19203 3015 1 8 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.560 -1.973 19203 3016 1 8 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.395 -1.938 19203 3017 1 8 . 1 1 38 38 GLU H H 38 7.524 7.524 7.662 -0.138 19203 3018 1 8 . 1 1 39 39 ALA N N 39 118.496 118.496 118.309 0.187 19203 3019 1 8 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.740 -0.761 19203 3020 1 8 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.324 -2.098 19203 3021 1 8 . 1 1 39 39 ALA CB C 39 17.657 17.657 20.226 -2.568 19203 3022 1 8 . 1 1 39 39 ALA H H 39 7.958 7.958 7.638 0.320 19203 3023 1 8 . 1 1 40 40 GLY N N 40 101.970 101.970 106.560 -4.590 19203 3024 1 8 . 1 1 40 40 GLY CA C 40 41.520 41.520 45.663 -4.143 19203 3025 1 8 . 1 1 40 40 GLY H H 40 7.172 7.172 8.151 -0.979 19203 3026 1 8 . 1 1 41 41 ASP N N 41 116.412 116.412 118.602 -2.190 19203 3027 1 8 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.731 -0.280 19203 3028 1 8 . 1 1 41 41 ASP CA C 41 53.248 53.248 52.981 0.267 19203 3029 1 8 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.119 -4.733 19203 3030 1 8 . 1 1 41 41 ASP H H 41 7.917 7.917 7.485 0.432 19203 3031 1 8 . 1 1 42 42 VAL N N 42 128.043 128.043 120.353 7.690 19203 3032 1 8 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.030 -0.004 19203 3033 1 8 . 1 1 42 42 VAL CA C 42 58.823 58.823 59.837 -1.014 19203 3034 1 8 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.034 -2.090 19203 3035 1 8 . 1 1 42 42 VAL H H 42 8.366 8.366 8.116 0.250 19203 3036 1 8 . 1 1 43 43 CYS N N 43 122.686 122.686 126.802 -4.116 19203 3037 1 8 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.502 0.277 19203 3038 1 8 . 1 1 43 43 CYS CA C 43 54.138 54.138 59.418 -5.280 19203 3039 1 8 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.940 -2.285 19203 3040 1 8 . 1 1 43 43 CYS H H 43 8.800 8.800 8.390 0.410 19203 3041 1 8 . 1 1 44 44 TYR N N 44 122.582 122.582 119.070 3.512 19203 3042 1 8 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.663 -0.227 19203 3043 1 8 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.239 -1.451 19203 3044 1 8 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.703 -1.900 19203 3045 1 8 . 1 1 44 44 TYR H H 44 7.420 7.420 8.100 -0.680 19203 3046 1 8 . 1 1 45 45 ALA N N 45 127.108 127.108 128.385 -1.277 19203 3047 1 8 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.667 0.274 19203 3048 1 8 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.998 -2.963 19203 3049 1 8 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.405 -2.166 19203 3050 1 8 . 1 1 45 45 ALA H H 45 7.107 7.107 7.690 -0.583 19203 3051 1 8 . 1 1 46 46 ASP N N 46 117.612 117.612 120.802 -3.190 19203 3052 1 8 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.774 -0.151 19203 3053 1 8 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.474 -3.955 19203 3054 1 8 . 1 1 46 46 ASP CB C 46 41.793 41.793 43.327 -1.534 19203 3055 1 8 . 1 1 46 46 ASP H H 46 8.463 8.463 8.476 -0.013 19203 3056 1 8 . 1 1 47 47 VAL N N 47 116.535 116.535 119.214 -2.679 19203 3057 1 8 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.188 0.058 19203 3058 1 8 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.555 -2.498 19203 3059 1 8 . 1 1 47 47 VAL CB C 47 32.901 32.901 33.821 -0.920 19203 3060 1 8 . 1 1 47 47 VAL H H 47 8.096 8.096 8.148 -0.052 19203 3061 1 8 . 1 1 48 48 TYR N N 48 124.428 124.428 117.448 6.980 19203 3062 1 8 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.896 0.047 19203 3063 1 8 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.498 -3.230 19203 3064 1 8 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.686 -3.501 19203 3065 1 8 . 1 1 48 48 TYR H H 48 8.673 8.673 7.539 1.134 19203 3066 1 8 . 1 1 49 49 ARG N N 49 117.750 117.750 118.615 -0.865 19203 3067 1 8 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.915 0.274 19203 3068 1 8 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.666 -3.552 19203 3069 1 8 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.580 -2.870 19203 3070 1 8 . 1 1 49 49 ARG H H 49 8.520 8.520 8.722 -0.202 19203 3071 1 8 . 1 1 50 50 ASP N N 50 117.696 117.696 119.231 -1.535 19203 3072 1 8 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.759 -0.179 19203 3073 1 8 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.672 -3.496 19203 3074 1 8 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.639 -5.734 19203 3075 1 8 . 1 1 50 50 ASP H H 50 7.960 7.960 7.974 -0.014 19203 3076 1 8 . 1 1 51 51 GLY N N 51 108.367 108.367 107.168 1.199 19203 3077 1 8 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.495 -1.932 19203 3078 1 8 . 1 1 51 51 GLY H H 51 8.053 8.053 8.765 -0.712 19203 3079 1 8 . 1 1 52 52 THR N N 52 109.991 109.991 113.432 -3.441 19203 3080 1 8 . 1 1 52 52 THR HA H 52 5.497 5.497 4.996 0.501 19203 3081 1 8 . 1 1 52 52 THR CA C 52 57.040 57.040 60.636 -3.596 19203 3082 1 8 . 1 1 52 52 THR CB C 52 69.847 69.847 72.066 -2.219 19203 3083 1 8 . 1 1 52 52 THR H H 52 7.637 7.637 6.997 0.640 19203 3084 1 8 . 1 1 53 53 GLY N N 53 105.727 105.727 106.742 -1.015 19203 3085 1 8 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.667 -1.369 19203 3086 1 8 . 1 1 53 53 GLY H H 53 8.801 8.801 8.468 0.333 19203 3087 1 8 . 1 1 54 54 VAL N N 54 117.327 117.327 119.617 -2.290 19203 3088 1 8 . 1 1 54 54 VAL HA H 54 5.357 5.357 5.134 0.223 19203 3089 1 8 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.601 -2.781 19203 3090 1 8 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.901 -2.178 19203 3091 1 8 . 1 1 54 54 VAL H H 54 8.585 8.585 8.952 -0.367 19203 3092 1 8 . 1 1 55 55 VAL N N 55 120.925 120.925 124.672 -3.747 19203 3093 1 8 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.900 -0.269 19203 3094 1 8 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.455 -2.475 19203 3095 1 8 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.758 -3.970 19203 3096 1 8 . 1 1 55 55 VAL H H 55 8.475 8.475 9.184 -0.709 19203 3097 1 8 . 1 1 56 56 GLU N N 56 123.932 123.932 121.882 2.050 19203 3098 1 8 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.730 0.268 19203 3099 1 8 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.013 -3.654 19203 3100 1 8 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.621 -3.547 19203 3101 1 8 . 1 1 56 56 GLU H H 56 8.896 8.896 8.677 0.219 19203 3102 1 8 . 1 1 57 57 PHE N N 57 120.441 120.441 125.780 -5.339 19203 3103 1 8 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.516 0.473 19203 3104 1 8 . 1 1 57 57 PHE CA C 57 55.075 55.075 58.925 -3.850 19203 3105 1 8 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.626 -1.346 19203 3106 1 8 . 1 1 57 57 PHE H H 57 8.549 8.549 9.043 -0.494 19203 3107 1 8 . 1 1 58 58 VAL N N 58 125.263 125.263 117.345 7.918 19203 3108 1 8 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.961 -0.389 19203 3109 1 8 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.095 0.298 19203 3110 1 8 . 1 1 58 58 VAL CB C 58 29.561 29.561 31.929 -2.368 19203 3111 1 8 . 1 1 58 58 VAL H H 58 8.123 8.123 7.973 0.150 19203 3112 1 8 . 1 1 59 59 ARG N N 59 117.434 117.434 115.438 1.996 19203 3113 1 8 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.646 0.067 19203 3114 1 8 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.681 -2.640 19203 3115 1 8 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.001 -2.393 19203 3116 1 8 . 1 1 59 59 ARG H H 59 9.504 9.504 7.408 2.096 19203 3117 1 8 . 1 1 60 60 LYS N N 60 127.390 127.390 121.431 5.959 19203 3118 1 8 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.045 -0.419 19203 3119 1 8 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.669 -2.244 19203 3120 1 8 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.381 -2.741 19203 3121 1 8 . 1 1 60 60 LYS H H 60 8.955 8.955 8.893 0.061 19203 3122 1 8 . 1 1 61 61 GLU N N 61 117.610 117.610 119.160 -1.550 19203 3123 1 8 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.125 -0.152 19203 3124 1 8 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.555 -2.683 19203 3125 1 8 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.422 -2.330 19203 3126 1 8 . 1 1 61 61 GLU H H 61 9.814 9.814 8.869 0.945 19203 3127 1 8 . 1 1 62 62 ASP N N 62 121.439 121.439 119.636 1.803 19203 3128 1 8 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.591 -0.242 19203 3129 1 8 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.066 -3.643 19203 3130 1 8 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.623 -3.353 19203 3131 1 8 . 1 1 62 62 ASP H H 62 6.760 6.760 8.500 -1.740 19203 3132 1 8 . 1 1 63 63 MET N N 63 120.225 120.225 120.947 -0.722 19203 3133 1 8 . 1 1 63 63 MET HA H 63 3.070 3.070 3.688 -0.618 19203 3134 1 8 . 1 1 63 63 MET CA C 63 56.211 56.211 59.711 -3.500 19203 3135 1 8 . 1 1 63 63 MET CB C 63 30.414 30.414 32.741 -2.327 19203 3136 1 8 . 1 1 63 63 MET H H 63 6.863 6.863 8.361 -1.498 19203 3137 1 8 . 1 1 64 64 THR N N 64 113.874 113.874 115.926 -2.052 19203 3138 1 8 . 1 1 64 64 THR HA H 64 3.663 3.663 3.823 -0.160 19203 3139 1 8 . 1 1 64 64 THR CA C 64 63.733 63.733 66.779 -3.046 19203 3140 1 8 . 1 1 64 64 THR CB C 64 65.692 65.692 68.709 -3.017 19203 3141 1 8 . 1 1 64 64 THR H H 64 7.900 7.900 8.374 -0.474 19203 3142 1 8 . 1 1 65 65 TYR N N 65 122.573 122.573 121.332 1.241 19203 3143 1 8 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.083 -0.078 19203 3144 1 8 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.224 -2.774 19203 3145 1 8 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.369 -2.671 19203 3146 1 8 . 1 1 65 65 TYR H H 65 7.530 7.530 8.143 -0.613 19203 3147 1 8 . 1 1 66 66 ALA N N 66 120.898 120.898 121.285 -0.387 19203 3148 1 8 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.021 -0.383 19203 3149 1 8 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.266 -2.244 19203 3150 1 8 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.545 -0.963 19203 3151 1 8 . 1 1 66 66 ALA H H 66 8.144 8.144 7.816 0.328 19203 3152 1 8 . 1 1 67 67 VAL N N 67 115.474 115.474 116.122 -0.648 19203 3153 1 8 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.693 -0.377 19203 3154 1 8 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.284 -1.635 19203 3155 1 8 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.537 -2.075 19203 3156 1 8 . 1 1 67 67 VAL H H 67 7.602 7.602 7.443 0.159 19203 3157 1 8 . 1 1 68 68 ARG N N 68 116.635 116.635 117.137 -0.502 19203 3158 1 8 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.160 -0.118 19203 3159 1 8 . 1 1 68 68 ARG CA C 68 55.989 55.989 58.191 -2.201 19203 3160 1 8 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.390 -1.938 19203 3161 1 8 . 1 1 68 68 ARG H H 68 7.531 7.531 7.177 0.354 19203 3162 1 8 . 1 1 69 69 LYS N N 69 115.566 115.566 116.273 -0.707 19203 3163 1 8 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.288 -0.067 19203 3164 1 8 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.719 -3.150 19203 3165 1 8 . 1 1 69 69 LYS CB C 69 30.993 30.993 33.839 -2.846 19203 3166 1 8 . 1 1 69 69 LYS H H 69 8.664 8.664 7.940 0.724 19203 3167 1 8 . 1 1 70 70 LEU N N 70 114.943 114.943 119.880 -4.937 19203 3168 1 8 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.636 0.190 19203 3169 1 8 . 1 1 70 70 LEU CA C 70 51.486 51.486 53.707 -2.221 19203 3170 1 8 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.275 -3.010 19203 3171 1 8 . 1 1 70 70 LEU H H 70 8.164 8.164 7.801 0.363 19203 3172 1 8 . 1 1 71 71 ASP N N 71 119.864 119.864 119.688 0.176 19203 3173 1 8 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.701 -0.309 19203 3174 1 8 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.222 0.962 19203 3175 1 8 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.716 -3.253 19203 3176 1 8 . 1 1 71 71 ASP H H 71 6.910 6.910 7.656 -0.746 19203 3177 1 8 . 1 1 72 72 ASN N N 72 123.602 123.602 116.533 7.069 19203 3178 1 8 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.630 0.051 19203 3179 1 8 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.211 -2.509 19203 3180 1 8 . 1 1 72 72 ASN CB C 72 35.060 35.060 36.242 -1.182 19203 3181 1 8 . 1 1 72 72 ASN H H 72 9.037 9.037 8.648 0.389 19203 3182 1 8 . 1 1 73 73 THR N N 73 105.063 105.063 107.912 -2.849 19203 3183 1 8 . 1 1 73 73 THR HA H 73 4.674 4.674 4.644 0.030 19203 3184 1 8 . 1 1 73 73 THR CA C 73 57.397 57.397 60.959 -3.562 19203 3185 1 8 . 1 1 73 73 THR CB C 73 70.412 70.412 71.054 -0.642 19203 3186 1 8 . 1 1 73 73 THR H H 73 7.187 7.187 7.640 -0.453 19203 3187 1 8 . 1 1 74 74 LYS N N 74 120.141 120.141 121.172 -1.031 19203 3188 1 8 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.688 -1.032 19203 3189 1 8 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.590 -3.757 19203 3190 1 8 . 1 1 74 74 LYS CB C 74 29.905 29.905 33.737 -3.832 19203 3191 1 8 . 1 1 74 74 LYS H H 74 8.384 8.384 8.525 -0.141 19203 3192 1 8 . 1 1 75 75 PHE N N 75 132.829 132.829 120.469 12.360 19203 3193 1 8 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.547 -0.231 19203 3194 1 8 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.690 -3.487 19203 3195 1 8 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.209 -1.752 19203 3196 1 8 . 1 1 75 75 PHE H H 75 9.243 9.243 8.379 0.864 19203 3197 1 8 . 1 1 76 76 ARG N N 76 128.489 128.489 127.278 1.211 19203 3198 1 8 . 1 1 76 76 ARG HA H 76 4.798 4.798 3.971 0.827 19203 3199 1 8 . 1 1 76 76 ARG CA C 76 50.981 50.981 56.256 -5.275 19203 3200 1 8 . 1 1 76 76 ARG CB C 76 30.374 30.374 30.297 0.077 19203 3201 1 8 . 1 1 76 76 ARG H H 76 8.293 8.293 7.099 1.194 19203 3202 1 8 . 1 1 77 77 SER N N 77 120.971 120.971 115.966 5.005 19203 3203 1 8 . 1 1 77 77 SER HA H 77 4.278 4.278 4.535 -0.257 19203 3204 1 8 . 1 1 77 77 SER CA C 77 53.406 53.406 56.354 -2.948 19203 3205 1 8 . 1 1 77 77 SER CB C 77 63.802 63.802 65.070 -1.268 19203 3206 1 8 . 1 1 77 77 SER H H 77 9.107 9.107 7.892 1.215 19203 3207 1 8 . 1 1 78 78 HIS N N 78 118.463 118.463 119.004 -0.541 19203 3208 1 8 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.669 -0.294 19203 3209 1 8 . 1 1 78 78 HIS CA C 78 55.891 55.891 56.962 -1.071 19203 3210 1 8 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.875 -6.636 19203 3211 1 8 . 1 1 78 78 HIS H H 78 9.696 9.696 8.298 1.398 19203 3212 1 8 . 1 1 79 79 GLU N N 79 116.714 116.714 120.084 -3.370 19203 3213 1 8 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.498 -0.155 19203 3214 1 8 . 1 1 79 79 GLU CA C 79 52.940 52.940 54.944 -2.004 19203 3215 1 8 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.535 -2.022 19203 3216 1 8 . 1 1 79 79 GLU H H 79 7.053 7.053 7.572 -0.518 19203 3217 1 8 . 1 1 80 80 GLY N N 80 108.106 108.106 106.996 1.110 19203 3218 1 8 . 1 1 80 80 GLY CA C 80 42.637 42.637 46.017 -3.380 19203 3219 1 8 . 1 1 80 80 GLY H H 80 7.835 7.835 8.133 -0.298 19203 3220 1 8 . 1 1 81 81 GLU N N 81 119.017 119.017 116.526 2.491 19203 3221 1 8 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.612 -0.278 19203 3222 1 8 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.800 -1.073 19203 3223 1 8 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.863 -2.385 19203 3224 1 8 . 1 1 81 81 GLU H H 81 7.067 7.067 8.070 -1.003 19203 3225 1 8 . 1 1 82 82 THR N N 82 114.312 114.312 111.412 2.900 19203 3226 1 8 . 1 1 82 82 THR HA H 82 5.771 5.771 4.769 1.002 19203 3227 1 8 . 1 1 82 82 THR CA C 82 56.694 56.694 60.250 -3.556 19203 3228 1 8 . 1 1 82 82 THR CB C 82 69.359 69.359 71.722 -2.363 19203 3229 1 8 . 1 1 82 82 THR H H 82 8.499 8.499 7.986 0.513 19203 3230 1 8 . 1 1 83 83 ALA N N 83 123.125 123.125 126.855 -3.730 19203 3231 1 8 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.644 -0.203 19203 3232 1 8 . 1 1 83 83 ALA CA C 83 49.097 49.097 51.013 -1.916 19203 3233 1 8 . 1 1 83 83 ALA CB C 83 21.499 21.499 20.728 0.771 19203 3234 1 8 . 1 1 83 83 ALA H H 83 8.674 8.674 8.931 -0.257 19203 3235 1 8 . 1 1 84 84 TYR N N 84 120.587 120.587 116.979 3.608 19203 3236 1 8 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.591 -0.618 19203 3237 1 8 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.407 -0.507 19203 3238 1 8 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.977 -4.825 19203 3239 1 8 . 1 1 84 84 TYR H H 84 8.708 8.708 8.484 0.224 19203 3240 1 8 . 1 1 85 85 ILE N N 85 116.081 116.081 113.620 2.461 19203 3241 1 8 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.910 -0.058 19203 3242 1 8 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.443 -1.514 19203 3243 1 8 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.261 -3.886 19203 3244 1 8 . 1 1 85 85 ILE H H 85 8.182 8.182 8.749 -0.567 19203 3245 1 8 . 1 1 86 86 ARG N N 86 117.289 117.289 119.862 -2.573 19203 3246 1 8 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.166 0.071 19203 3247 1 8 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.288 -5.141 19203 3248 1 8 . 1 1 86 86 ARG CB C 86 27.473 27.473 33.719 -6.246 19203 3249 1 8 . 1 1 86 86 ARG H H 86 8.250 8.250 8.032 0.218 19203 3250 1 8 . 1 1 87 87 VAL N N 87 121.679 121.679 123.576 -1.897 19203 3251 1 8 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.668 -0.035 19203 3252 1 8 . 1 1 87 87 VAL CA C 87 58.639 58.639 61.992 -3.353 19203 3253 1 8 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.044 -0.415 19203 3254 1 8 . 1 1 87 87 VAL H H 87 8.983 8.983 9.206 -0.223 19203 3255 1 8 . 1 1 88 88 LYS N N 88 123.579 123.579 120.291 3.288 19203 3256 1 8 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.580 0.173 19203 3257 1 8 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.566 -2.668 19203 3258 1 8 . 1 1 88 88 LYS CB C 88 34.143 34.143 34.724 -0.581 19203 3259 1 8 . 1 1 88 88 LYS H H 88 8.679 8.679 8.258 0.421 19203 3260 1 8 . 1 1 89 89 VAL N N 89 119.787 119.787 122.095 -2.308 19203 3261 1 8 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.869 0.256 19203 3262 1 8 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.862 -1.822 19203 3263 1 8 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.403 -1.062 19203 3264 1 8 . 1 1 89 89 VAL H H 89 8.454 8.454 8.599 -0.145 19203 3265 1 9 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.837 -0.304 19203 3266 1 9 . 1 1 2 2 ALA CA C 2 47.885 47.885 50.271 -2.386 19203 3267 1 9 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.330 -3.708 19203 3268 1 9 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.414 0.412 19203 3269 1 9 . 1 1 3 3 PRO CA C 3 58.309 58.309 63.700 -5.391 19203 3270 1 9 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.286 -4.494 19203 3271 1 9 . 1 1 4 4 ARG N N 4 121.678 121.678 117.401 4.277 19203 3272 1 9 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.381 -0.160 19203 3273 1 9 . 1 1 4 4 ARG CA C 4 53.575 53.575 56.004 -2.429 19203 3274 1 9 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.041 -2.574 19203 3275 1 9 . 1 1 4 4 ARG H H 4 8.483 8.483 7.840 0.643 19203 3276 1 9 . 1 1 5 5 GLY N N 5 109.928 109.928 108.516 1.412 19203 3277 1 9 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.379 -2.711 19203 3278 1 9 . 1 1 5 5 GLY H H 5 8.344 8.344 8.311 0.033 19203 3279 1 9 . 1 1 6 6 ARG N N 6 120.896 120.896 117.882 3.014 19203 3280 1 9 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.590 -0.448 19203 3281 1 9 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.655 -2.136 19203 3282 1 9 . 1 1 6 6 ARG CB C 6 28.218 28.218 32.251 -4.032 19203 3283 1 9 . 1 1 6 6 ARG H H 6 8.144 8.144 8.734 -0.590 19203 3284 1 9 . 1 1 7 7 TYR N N 7 121.118 121.118 121.840 -0.722 19203 3285 1 9 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.881 -0.321 19203 3286 1 9 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.693 -2.888 19203 3287 1 9 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.997 -3.493 19203 3288 1 9 . 1 1 7 7 TYR H H 7 8.218 8.218 8.598 -0.380 19203 3289 1 9 . 1 1 8 8 GLY N N 8 110.613 110.613 109.894 0.719 19203 3290 1 9 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.329 -2.424 19203 3291 1 9 . 1 1 8 8 GLY H H 8 8.021 8.021 7.995 0.026 19203 3292 1 9 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.537 0.030 19203 3293 1 9 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.459 -2.659 19203 3294 1 9 . 1 1 9 9 PRO CB C 9 28.361 28.361 30.962 -2.602 19203 3295 1 9 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.510 -0.146 19203 3296 1 9 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.166 -2.752 19203 3297 1 9 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.011 -0.544 19203 3298 1 9 . 1 1 11 11 SER N N 11 116.042 116.042 119.837 -3.795 19203 3299 1 9 . 1 1 11 11 SER HA H 11 4.394 4.394 4.757 -0.363 19203 3300 1 9 . 1 1 11 11 SER CA C 11 55.641 55.641 57.619 -1.978 19203 3301 1 9 . 1 1 11 11 SER CB C 11 61.349 61.349 65.761 -4.412 19203 3302 1 9 . 1 1 11 11 SER H H 11 8.263 8.263 7.924 0.339 19203 3303 1 9 . 1 1 12 12 ARG N N 12 123.432 123.432 120.002 3.430 19203 3304 1 9 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.637 -0.348 19203 3305 1 9 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.193 -1.882 19203 3306 1 9 . 1 1 12 12 ARG CB C 12 28.726 28.726 32.255 -3.529 19203 3307 1 9 . 1 1 12 12 ARG H H 12 8.317 8.317 8.491 -0.174 19203 3308 1 9 . 1 1 13 13 ARG N N 13 119.550 119.550 119.821 -0.271 19203 3309 1 9 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.747 -3.164 19203 3310 1 9 . 1 1 13 13 ARG H H 13 7.967 7.967 8.561 -0.594 19203 3311 1 9 . 1 1 14 14 SER N N 14 117.366 117.366 114.268 3.098 19203 3312 1 9 . 1 1 14 14 SER HA H 14 4.588 4.588 4.594 -0.006 19203 3313 1 9 . 1 1 14 14 SER CA C 14 54.505 54.505 57.647 -3.142 19203 3314 1 9 . 1 1 14 14 SER CB C 14 63.906 63.906 65.502 -1.596 19203 3315 1 9 . 1 1 14 14 SER H H 14 8.660 8.660 7.991 0.669 19203 3316 1 9 . 1 1 15 15 GLU N N 15 116.212 116.212 120.475 -4.263 19203 3317 1 9 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.164 0.148 19203 3318 1 9 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.816 -3.869 19203 3319 1 9 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.472 -1.365 19203 3320 1 9 . 1 1 15 15 GLU H H 15 8.472 8.472 8.866 -0.394 19203 3321 1 9 . 1 1 16 16 ASN N N 16 120.295 120.295 116.294 4.001 19203 3322 1 9 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.899 0.098 19203 3323 1 9 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.438 -2.507 19203 3324 1 9 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.179 -5.868 19203 3325 1 9 . 1 1 16 16 ASN H H 16 8.326 8.326 7.893 0.433 19203 3326 1 9 . 1 1 17 17 ARG N N 17 123.774 123.774 120.827 2.947 19203 3327 1 9 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.694 0.575 19203 3328 1 9 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.354 -2.514 19203 3329 1 9 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.344 -1.922 19203 3330 1 9 . 1 1 17 17 ARG H H 17 7.726 7.726 7.454 0.272 19203 3331 1 9 . 1 1 18 18 VAL N N 18 117.634 117.634 119.356 -1.722 19203 3332 1 9 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.771 0.271 19203 3333 1 9 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.301 -3.211 19203 3334 1 9 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.318 -3.572 19203 3335 1 9 . 1 1 18 18 VAL H H 18 9.197 9.197 8.754 0.443 19203 3336 1 9 . 1 1 19 19 VAL N N 19 119.956 119.956 118.975 0.981 19203 3337 1 9 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.573 0.352 19203 3338 1 9 . 1 1 19 19 VAL CA C 19 57.771 57.771 61.410 -3.639 19203 3339 1 9 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.743 -4.168 19203 3340 1 9 . 1 1 19 19 VAL H H 19 9.111 9.111 8.136 0.975 19203 3341 1 9 . 1 1 20 20 VAL N N 20 125.976 125.976 122.547 3.429 19203 3342 1 9 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.138 0.231 19203 3343 1 9 . 1 1 20 20 VAL CA C 20 56.514 56.514 59.875 -3.361 19203 3344 1 9 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.931 -2.884 19203 3345 1 9 . 1 1 20 20 VAL H H 20 8.678 8.678 8.896 -0.218 19203 3346 1 9 . 1 1 21 21 SER N N 21 117.905 117.905 115.783 2.122 19203 3347 1 9 . 1 1 21 21 SER HA H 21 5.075 5.075 4.823 0.252 19203 3348 1 9 . 1 1 21 21 SER CA C 21 54.228 54.228 57.463 -3.235 19203 3349 1 9 . 1 1 21 21 SER CB C 21 63.312 63.312 66.442 -3.130 19203 3350 1 9 . 1 1 21 21 SER H H 21 8.917 8.917 8.676 0.241 19203 3351 1 9 . 1 1 22 22 GLY N N 22 108.144 108.144 109.290 -1.146 19203 3352 1 9 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.973 -2.508 19203 3353 1 9 . 1 1 22 22 GLY H H 22 8.079 8.079 8.504 -0.425 19203 3354 1 9 . 1 1 23 23 LEU N N 23 119.379 119.379 121.816 -2.437 19203 3355 1 9 . 1 1 23 23 LEU HA H 23 3.423 3.423 3.931 -0.508 19203 3356 1 9 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.258 -2.385 19203 3357 1 9 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.020 -1.942 19203 3358 1 9 . 1 1 23 23 LEU H H 23 8.485 8.485 7.455 1.030 19203 3359 1 9 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.962 -3.063 19203 3360 1 9 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.413 -0.155 19203 3361 1 9 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.204 -1.444 19203 3362 1 9 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.871 -2.642 19203 3363 1 9 . 1 1 26 26 SER N N 26 106.249 106.249 114.766 -8.517 19203 3364 1 9 . 1 1 26 26 SER HA H 26 4.319 4.319 4.708 -0.389 19203 3365 1 9 . 1 1 26 26 SER CA C 26 55.722 55.722 58.060 -2.338 19203 3366 1 9 . 1 1 26 26 SER CB C 26 61.171 61.171 63.611 -2.440 19203 3367 1 9 . 1 1 26 26 SER H H 26 7.309 7.309 8.034 -0.725 19203 3368 1 9 . 1 1 27 27 GLY N N 27 107.883 107.883 107.910 -0.027 19203 3369 1 9 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.084 0.120 19203 3370 1 9 . 1 1 27 27 GLY H H 27 8.075 8.075 7.775 0.300 19203 3371 1 9 . 1 1 28 28 SER N N 28 123.917 123.917 115.453 8.464 19203 3372 1 9 . 1 1 28 28 SER HA H 28 4.903 4.903 4.767 0.136 19203 3373 1 9 . 1 1 28 28 SER CA C 28 53.260 53.260 56.800 -3.541 19203 3374 1 9 . 1 1 28 28 SER CB C 28 64.609 64.609 66.668 -2.059 19203 3375 1 9 . 1 1 28 28 SER H H 28 9.021 9.021 8.412 0.609 19203 3376 1 9 . 1 1 29 29 TRP N N 29 120.079 120.079 121.134 -1.055 19203 3377 1 9 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.486 -0.462 19203 3378 1 9 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.651 -1.587 19203 3379 1 9 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.398 -3.176 19203 3380 1 9 . 1 1 29 29 TRP H H 29 9.042 9.042 8.654 0.388 19203 3381 1 9 . 1 1 30 30 GLN N N 30 123.085 123.085 120.580 2.505 19203 3382 1 9 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.000 -0.806 19203 3383 1 9 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.702 -2.736 19203 3384 1 9 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.793 -3.109 19203 3385 1 9 . 1 1 30 30 GLN H H 30 7.587 7.587 7.626 -0.039 19203 3386 1 9 . 1 1 31 31 ASP N N 31 120.127 120.127 119.529 0.598 19203 3387 1 9 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.473 -0.323 19203 3388 1 9 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.058 -2.723 19203 3389 1 9 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.136 -0.864 19203 3390 1 9 . 1 1 31 31 ASP H H 31 7.697 7.697 7.971 -0.274 19203 3391 1 9 . 1 1 32 32 LEU N N 32 122.010 122.010 122.036 -0.026 19203 3392 1 9 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.357 -0.152 19203 3393 1 9 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.338 -2.799 19203 3394 1 9 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.814 -2.813 19203 3395 1 9 . 1 1 32 32 LEU H H 32 8.260 8.260 8.081 0.179 19203 3396 1 9 . 1 1 33 33 LYS N N 33 120.333 120.333 119.123 1.210 19203 3397 1 9 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.118 -0.606 19203 3398 1 9 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.228 -0.743 19203 3399 1 9 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.458 -2.819 19203 3400 1 9 . 1 1 33 33 LYS H H 33 8.506 8.506 8.321 0.185 19203 3401 1 9 . 1 1 34 34 ASP N N 34 117.666 117.666 118.367 -0.701 19203 3402 1 9 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.448 -0.165 19203 3403 1 9 . 1 1 34 34 ASP CA C 34 54.882 54.882 57.023 -2.141 19203 3404 1 9 . 1 1 34 34 ASP CB C 34 37.540 37.540 40.615 -3.075 19203 3405 1 9 . 1 1 34 34 ASP H H 34 8.353 8.353 8.086 0.267 19203 3406 1 9 . 1 1 35 35 HIS N N 35 119.654 119.654 119.267 0.387 19203 3407 1 9 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.480 -0.373 19203 3408 1 9 . 1 1 35 35 HIS CA C 35 57.324 57.324 59.315 -1.991 19203 3409 1 9 . 1 1 35 35 HIS CB C 35 30.265 30.265 30.576 -0.311 19203 3410 1 9 . 1 1 35 35 HIS H H 35 7.943 7.943 7.650 0.293 19203 3411 1 9 . 1 1 36 36 MET N N 36 111.628 111.628 120.789 -9.161 19203 3412 1 9 . 1 1 36 36 MET HA H 36 4.572 4.572 4.566 0.006 19203 3413 1 9 . 1 1 36 36 MET CA C 36 52.172 52.172 55.383 -3.211 19203 3414 1 9 . 1 1 36 36 MET CB C 36 31.060 31.060 32.398 -1.338 19203 3415 1 9 . 1 1 36 36 MET H H 36 7.812 7.812 8.505 -0.693 19203 3416 1 9 . 1 1 37 37 ARG N N 37 119.419 119.419 116.317 3.102 19203 3417 1 9 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.501 0.132 19203 3418 1 9 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.627 -0.220 19203 3419 1 9 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.608 -2.607 19203 3420 1 9 . 1 1 37 37 ARG H H 37 7.929 7.929 7.986 -0.057 19203 3421 1 9 . 1 1 38 38 GLU N N 38 118.450 118.450 120.413 -1.963 19203 3422 1 9 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.214 -0.227 19203 3423 1 9 . 1 1 38 38 GLU CA C 38 55.587 55.587 56.909 -1.322 19203 3424 1 9 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.948 -2.491 19203 3425 1 9 . 1 1 38 38 GLU H H 38 7.524 7.524 8.015 -0.491 19203 3426 1 9 . 1 1 39 39 ALA N N 39 118.496 118.496 120.747 -2.251 19203 3427 1 9 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.663 -0.684 19203 3428 1 9 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.539 -1.313 19203 3429 1 9 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.201 -1.544 19203 3430 1 9 . 1 1 39 39 ALA H H 39 7.958 7.958 8.158 -0.200 19203 3431 1 9 . 1 1 40 40 GLY N N 40 101.970 101.970 107.625 -5.655 19203 3432 1 9 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.644 -3.124 19203 3433 1 9 . 1 1 40 40 GLY H H 40 7.172 7.172 7.912 -0.740 19203 3434 1 9 . 1 1 41 41 ASP N N 41 116.412 116.412 123.556 -7.144 19203 3435 1 9 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.823 -0.372 19203 3436 1 9 . 1 1 41 41 ASP CA C 41 53.248 53.248 52.949 0.299 19203 3437 1 9 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.137 -4.751 19203 3438 1 9 . 1 1 41 41 ASP H H 41 7.917 7.917 8.306 -0.389 19203 3439 1 9 . 1 1 42 42 VAL N N 42 128.043 128.043 122.859 5.184 19203 3440 1 9 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.986 0.040 19203 3441 1 9 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.170 -1.347 19203 3442 1 9 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.672 -1.728 19203 3443 1 9 . 1 1 42 42 VAL H H 42 8.366 8.366 8.159 0.207 19203 3444 1 9 . 1 1 43 43 CYS N N 43 122.686 122.686 123.411 -0.725 19203 3445 1 9 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.556 0.223 19203 3446 1 9 . 1 1 43 43 CYS CA C 43 54.138 54.138 58.008 -3.870 19203 3447 1 9 . 1 1 43 43 CYS CB C 43 26.655 26.655 30.353 -3.698 19203 3448 1 9 . 1 1 43 43 CYS H H 43 8.800 8.800 8.613 0.187 19203 3449 1 9 . 1 1 44 44 TYR N N 44 122.582 122.582 120.652 1.930 19203 3450 1 9 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.777 -0.341 19203 3451 1 9 . 1 1 44 44 TYR CA C 44 55.788 55.788 56.780 -0.992 19203 3452 1 9 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.481 -1.678 19203 3453 1 9 . 1 1 44 44 TYR H H 44 7.420 7.420 7.977 -0.557 19203 3454 1 9 . 1 1 45 45 ALA N N 45 127.108 127.108 127.984 -0.876 19203 3455 1 9 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.809 0.132 19203 3456 1 9 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.736 -2.701 19203 3457 1 9 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.299 -2.060 19203 3458 1 9 . 1 1 45 45 ALA H H 45 7.107 7.107 7.813 -0.706 19203 3459 1 9 . 1 1 46 46 ASP N N 46 117.612 117.612 119.916 -2.304 19203 3460 1 9 . 1 1 46 46 ASP HA H 46 4.623 4.623 5.005 -0.382 19203 3461 1 9 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.616 -3.097 19203 3462 1 9 . 1 1 46 46 ASP CB C 46 41.793 41.793 45.182 -3.389 19203 3463 1 9 . 1 1 46 46 ASP H H 46 8.463 8.463 9.037 -0.574 19203 3464 1 9 . 1 1 47 47 VAL N N 47 116.535 116.535 120.239 -3.704 19203 3465 1 9 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.225 0.021 19203 3466 1 9 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.216 -3.159 19203 3467 1 9 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.022 -2.121 19203 3468 1 9 . 1 1 47 47 VAL H H 47 8.096 8.096 8.593 -0.497 19203 3469 1 9 . 1 1 48 48 TYR N N 48 124.428 124.428 122.999 1.429 19203 3470 1 9 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.948 -0.005 19203 3471 1 9 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.134 -2.866 19203 3472 1 9 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.436 -3.251 19203 3473 1 9 . 1 1 48 48 TYR H H 48 8.673 8.673 7.711 0.962 19203 3474 1 9 . 1 1 49 49 ARG N N 49 117.750 117.750 120.587 -2.837 19203 3475 1 9 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.418 -0.229 19203 3476 1 9 . 1 1 49 49 ARG CA C 49 55.114 55.114 55.934 -0.820 19203 3477 1 9 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.498 -1.788 19203 3478 1 9 . 1 1 49 49 ARG H H 49 8.520 8.520 8.566 -0.046 19203 3479 1 9 . 1 1 50 50 ASP N N 50 117.696 117.696 121.051 -3.355 19203 3480 1 9 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.717 -0.137 19203 3481 1 9 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.842 -3.666 19203 3482 1 9 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.369 -4.464 19203 3483 1 9 . 1 1 50 50 ASP H H 50 7.960 7.960 8.013 -0.053 19203 3484 1 9 . 1 1 51 51 GLY N N 51 108.367 108.367 108.958 -0.591 19203 3485 1 9 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.407 -2.844 19203 3486 1 9 . 1 1 51 51 GLY H H 51 8.053 8.053 8.731 -0.678 19203 3487 1 9 . 1 1 52 52 THR N N 52 109.991 109.991 109.535 0.456 19203 3488 1 9 . 1 1 52 52 THR HA H 52 5.497 5.497 4.573 0.924 19203 3489 1 9 . 1 1 52 52 THR CA C 52 57.040 57.040 59.792 -2.752 19203 3490 1 9 . 1 1 52 52 THR CB C 52 69.847 69.847 71.933 -2.086 19203 3491 1 9 . 1 1 52 52 THR H H 52 7.637 7.637 7.011 0.626 19203 3492 1 9 . 1 1 53 53 GLY N N 53 105.727 105.727 106.164 -0.437 19203 3493 1 9 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.972 -1.674 19203 3494 1 9 . 1 1 53 53 GLY H H 53 8.801 8.801 8.125 0.676 19203 3495 1 9 . 1 1 54 54 VAL N N 54 117.327 117.327 119.893 -2.566 19203 3496 1 9 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.780 0.577 19203 3497 1 9 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.201 -4.381 19203 3498 1 9 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.730 -3.007 19203 3499 1 9 . 1 1 54 54 VAL H H 54 8.585 8.585 8.840 -0.255 19203 3500 1 9 . 1 1 55 55 VAL N N 55 120.925 120.925 121.376 -0.451 19203 3501 1 9 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.829 -0.198 19203 3502 1 9 . 1 1 55 55 VAL CA C 55 57.980 57.980 61.143 -3.163 19203 3503 1 9 . 1 1 55 55 VAL CB C 55 32.788 32.788 37.043 -4.255 19203 3504 1 9 . 1 1 55 55 VAL H H 55 8.475 8.475 8.827 -0.352 19203 3505 1 9 . 1 1 56 56 GLU N N 56 123.932 123.932 122.184 1.748 19203 3506 1 9 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.777 0.221 19203 3507 1 9 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.800 -4.441 19203 3508 1 9 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.824 -3.750 19203 3509 1 9 . 1 1 56 56 GLU H H 56 8.896 8.896 8.449 0.447 19203 3510 1 9 . 1 1 57 57 PHE N N 57 120.441 120.441 124.164 -3.723 19203 3511 1 9 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.769 0.220 19203 3512 1 9 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.424 -2.349 19203 3513 1 9 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.297 -1.016 19203 3514 1 9 . 1 1 57 57 PHE H H 57 8.549 8.549 8.470 0.079 19203 3515 1 9 . 1 1 58 58 VAL N N 58 125.263 125.263 118.885 6.378 19203 3516 1 9 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.990 -0.418 19203 3517 1 9 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.543 -0.150 19203 3518 1 9 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.282 -2.721 19203 3519 1 9 . 1 1 58 58 VAL H H 58 8.123 8.123 8.386 -0.263 19203 3520 1 9 . 1 1 59 59 ARG N N 59 117.434 117.434 118.046 -0.612 19203 3521 1 9 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.561 0.152 19203 3522 1 9 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.000 -2.959 19203 3523 1 9 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.181 -3.573 19203 3524 1 9 . 1 1 59 59 ARG H H 59 9.504 9.504 7.898 1.606 19203 3525 1 9 . 1 1 60 60 LYS N N 60 127.390 127.390 123.093 4.297 19203 3526 1 9 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.011 -0.385 19203 3527 1 9 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.579 -2.154 19203 3528 1 9 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.468 -2.829 19203 3529 1 9 . 1 1 60 60 LYS H H 60 8.955 8.955 8.927 0.028 19203 3530 1 9 . 1 1 61 61 GLU N N 61 117.610 117.610 118.175 -0.565 19203 3531 1 9 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.126 -0.153 19203 3532 1 9 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.020 -3.148 19203 3533 1 9 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.292 -3.201 19203 3534 1 9 . 1 1 61 61 GLU H H 61 9.814 9.814 8.761 1.053 19203 3535 1 9 . 1 1 62 62 ASP N N 62 121.439 121.439 120.822 0.617 19203 3536 1 9 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.484 -0.135 19203 3537 1 9 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.094 -3.671 19203 3538 1 9 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.444 -3.175 19203 3539 1 9 . 1 1 62 62 ASP H H 62 6.760 6.760 7.738 -0.978 19203 3540 1 9 . 1 1 63 63 MET N N 63 120.225 120.225 119.817 0.408 19203 3541 1 9 . 1 1 63 63 MET HA H 63 3.070 3.070 3.166 -0.096 19203 3542 1 9 . 1 1 63 63 MET CA C 63 56.211 56.211 58.540 -2.329 19203 3543 1 9 . 1 1 63 63 MET CB C 63 30.414 30.414 31.966 -1.552 19203 3544 1 9 . 1 1 63 63 MET H H 63 6.863 6.863 8.269 -1.406 19203 3545 1 9 . 1 1 64 64 THR N N 64 113.874 113.874 115.093 -1.219 19203 3546 1 9 . 1 1 64 64 THR HA H 64 3.663 3.663 3.846 -0.183 19203 3547 1 9 . 1 1 64 64 THR CA C 64 63.733 63.733 66.445 -2.712 19203 3548 1 9 . 1 1 64 64 THR CB C 64 65.692 65.692 68.725 -3.033 19203 3549 1 9 . 1 1 64 64 THR H H 64 7.900 7.900 8.240 -0.340 19203 3550 1 9 . 1 1 65 65 TYR N N 65 122.573 122.573 122.751 -0.178 19203 3551 1 9 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.048 -0.043 19203 3552 1 9 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.447 -2.997 19203 3553 1 9 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.285 -2.587 19203 3554 1 9 . 1 1 65 65 TYR H H 65 7.530 7.530 8.281 -0.751 19203 3555 1 9 . 1 1 66 66 ALA N N 66 120.898 120.898 121.796 -0.898 19203 3556 1 9 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.189 -0.551 19203 3557 1 9 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.328 -2.306 19203 3558 1 9 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.966 -1.384 19203 3559 1 9 . 1 1 66 66 ALA H H 66 8.144 8.144 8.248 -0.104 19203 3560 1 9 . 1 1 67 67 VAL N N 67 115.474 115.474 116.196 -0.722 19203 3561 1 9 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.770 -0.454 19203 3562 1 9 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.600 -1.951 19203 3563 1 9 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.513 -2.051 19203 3564 1 9 . 1 1 67 67 VAL H H 67 7.602 7.602 7.640 -0.038 19203 3565 1 9 . 1 1 68 68 ARG N N 68 116.635 116.635 116.193 0.442 19203 3566 1 9 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.318 -0.276 19203 3567 1 9 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.835 -0.846 19203 3568 1 9 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.950 -2.498 19203 3569 1 9 . 1 1 68 68 ARG H H 68 7.531 7.531 7.664 -0.133 19203 3570 1 9 . 1 1 69 69 LYS N N 69 115.566 115.566 116.474 -0.908 19203 3571 1 9 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.425 -0.204 19203 3572 1 9 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.717 -3.147 19203 3573 1 9 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.814 -3.821 19203 3574 1 9 . 1 1 69 69 LYS H H 69 8.664 8.664 7.873 0.791 19203 3575 1 9 . 1 1 70 70 LEU N N 70 114.943 114.943 120.079 -5.136 19203 3576 1 9 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.645 0.181 19203 3577 1 9 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.373 -2.887 19203 3578 1 9 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.599 -3.334 19203 3579 1 9 . 1 1 70 70 LEU H H 70 8.164 8.164 8.092 0.072 19203 3580 1 9 . 1 1 71 71 ASP N N 71 119.864 119.864 117.979 1.885 19203 3581 1 9 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.673 -0.281 19203 3582 1 9 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.340 0.844 19203 3583 1 9 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.595 -3.132 19203 3584 1 9 . 1 1 71 71 ASP H H 71 6.910 6.910 7.584 -0.674 19203 3585 1 9 . 1 1 72 72 ASN N N 72 123.602 123.602 118.476 5.126 19203 3586 1 9 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.725 -0.044 19203 3587 1 9 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.231 -2.530 19203 3588 1 9 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.721 -2.661 19203 3589 1 9 . 1 1 72 72 ASN H H 72 9.037 9.037 8.711 0.326 19203 3590 1 9 . 1 1 73 73 THR N N 73 105.063 105.063 108.801 -3.738 19203 3591 1 9 . 1 1 73 73 THR HA H 73 4.674 4.674 4.490 0.184 19203 3592 1 9 . 1 1 73 73 THR CA C 73 57.397 57.397 61.199 -3.802 19203 3593 1 9 . 1 1 73 73 THR CB C 73 70.412 70.412 70.938 -0.525 19203 3594 1 9 . 1 1 73 73 THR H H 73 7.187 7.187 7.534 -0.347 19203 3595 1 9 . 1 1 74 74 LYS N N 74 120.141 120.141 121.925 -1.784 19203 3596 1 9 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.925 -1.269 19203 3597 1 9 . 1 1 74 74 LYS CA C 74 53.833 53.833 55.763 -1.930 19203 3598 1 9 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.741 -4.836 19203 3599 1 9 . 1 1 74 74 LYS H H 74 8.384 8.384 8.434 -0.050 19203 3600 1 9 . 1 1 75 75 PHE N N 75 132.829 132.829 123.490 9.339 19203 3601 1 9 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.084 0.232 19203 3602 1 9 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.198 -2.995 19203 3603 1 9 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.889 -2.433 19203 3604 1 9 . 1 1 75 75 PHE H H 75 9.243 9.243 9.031 0.212 19203 3605 1 9 . 1 1 76 76 ARG N N 76 128.489 128.489 127.861 0.628 19203 3606 1 9 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.265 0.533 19203 3607 1 9 . 1 1 76 76 ARG CA C 76 50.981 50.981 56.024 -5.043 19203 3608 1 9 . 1 1 76 76 ARG CB C 76 30.374 30.374 29.909 0.465 19203 3609 1 9 . 1 1 76 76 ARG H H 76 8.293 8.293 7.763 0.530 19203 3610 1 9 . 1 1 77 77 SER N N 77 120.971 120.971 119.533 1.438 19203 3611 1 9 . 1 1 77 77 SER HA H 77 4.278 4.278 4.758 -0.480 19203 3612 1 9 . 1 1 77 77 SER CA C 77 53.406 53.406 58.343 -4.937 19203 3613 1 9 . 1 1 77 77 SER CB C 77 63.802 63.802 64.474 -0.672 19203 3614 1 9 . 1 1 77 77 SER H H 77 9.107 9.107 8.523 0.584 19203 3615 1 9 . 1 1 78 78 HIS N N 78 118.463 118.463 122.270 -3.807 19203 3616 1 9 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.445 -0.070 19203 3617 1 9 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.580 -1.689 19203 3618 1 9 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.896 -5.657 19203 3619 1 9 . 1 1 78 78 HIS H H 78 9.696 9.696 9.067 0.629 19203 3620 1 9 . 1 1 79 79 GLU N N 79 116.714 116.714 118.206 -1.492 19203 3621 1 9 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.310 0.033 19203 3622 1 9 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.406 -3.466 19203 3623 1 9 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.452 -1.939 19203 3624 1 9 . 1 1 79 79 GLU H H 79 7.053 7.053 8.320 -1.267 19203 3625 1 9 . 1 1 80 80 GLY N N 80 108.106 108.106 107.542 0.564 19203 3626 1 9 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.513 -2.876 19203 3627 1 9 . 1 1 80 80 GLY H H 80 7.835 7.835 8.066 -0.231 19203 3628 1 9 . 1 1 81 81 GLU N N 81 119.017 119.017 117.509 1.508 19203 3629 1 9 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.812 -0.478 19203 3630 1 9 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.389 -0.662 19203 3631 1 9 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.575 -2.096 19203 3632 1 9 . 1 1 81 81 GLU H H 81 7.067 7.067 7.976 -0.909 19203 3633 1 9 . 1 1 82 82 THR N N 82 114.312 114.312 109.826 4.486 19203 3634 1 9 . 1 1 82 82 THR HA H 82 5.771 5.771 5.220 0.551 19203 3635 1 9 . 1 1 82 82 THR CA C 82 56.694 56.694 59.833 -3.139 19203 3636 1 9 . 1 1 82 82 THR CB C 82 69.359 69.359 72.112 -2.753 19203 3637 1 9 . 1 1 82 82 THR H H 82 8.499 8.499 8.193 0.306 19203 3638 1 9 . 1 1 83 83 ALA N N 83 123.125 123.125 125.075 -1.950 19203 3639 1 9 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.931 -0.490 19203 3640 1 9 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.394 -1.296 19203 3641 1 9 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.908 -0.409 19203 3642 1 9 . 1 1 83 83 ALA H H 83 8.674 8.674 8.523 0.151 19203 3643 1 9 . 1 1 84 84 TYR N N 84 120.587 120.587 117.413 3.174 19203 3644 1 9 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.650 -0.677 19203 3645 1 9 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.675 0.225 19203 3646 1 9 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.175 -4.023 19203 3647 1 9 . 1 1 84 84 TYR H H 84 8.708 8.708 8.425 0.283 19203 3648 1 9 . 1 1 85 85 ILE N N 85 116.081 116.081 113.684 2.397 19203 3649 1 9 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.935 -0.083 19203 3650 1 9 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.502 -1.573 19203 3651 1 9 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.212 -3.837 19203 3652 1 9 . 1 1 85 85 ILE H H 85 8.182 8.182 8.890 -0.708 19203 3653 1 9 . 1 1 86 86 ARG N N 86 117.289 117.289 118.927 -1.638 19203 3654 1 9 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.286 -0.049 19203 3655 1 9 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.956 -4.809 19203 3656 1 9 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.537 -7.064 19203 3657 1 9 . 1 1 86 86 ARG H H 86 8.250 8.250 8.662 -0.412 19203 3658 1 9 . 1 1 87 87 VAL N N 87 121.679 121.679 122.111 -0.432 19203 3659 1 9 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.711 -0.078 19203 3660 1 9 . 1 1 87 87 VAL CA C 87 58.639 58.639 61.243 -2.604 19203 3661 1 9 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.087 -1.458 19203 3662 1 9 . 1 1 87 87 VAL H H 87 8.983 8.983 9.146 -0.163 19203 3663 1 9 . 1 1 88 88 LYS N N 88 123.579 123.579 125.003 -1.424 19203 3664 1 9 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.658 0.095 19203 3665 1 9 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.557 -2.659 19203 3666 1 9 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.457 -1.314 19203 3667 1 9 . 1 1 88 88 LYS H H 88 8.679 8.679 8.381 0.298 19203 3668 1 9 . 1 1 89 89 VAL N N 89 119.787 119.787 121.288 -1.501 19203 3669 1 9 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.928 0.197 19203 3670 1 9 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.150 -1.110 19203 3671 1 9 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.740 -1.399 19203 3672 1 9 . 1 1 89 89 VAL H H 89 8.454 8.454 8.525 -0.071 19203 3673 1 10 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.812 -0.279 19203 3674 1 10 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.127 -3.242 19203 3675 1 10 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.507 -3.885 19203 3676 1 10 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.649 0.177 19203 3677 1 10 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.815 -4.506 19203 3678 1 10 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.325 -4.533 19203 3679 1 10 . 1 1 4 4 ARG N N 4 121.678 121.678 117.500 4.178 19203 3680 1 10 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.436 -0.215 19203 3681 1 10 . 1 1 4 4 ARG CA C 4 53.575 53.575 54.393 -0.818 19203 3682 1 10 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.865 -3.398 19203 3683 1 10 . 1 1 4 4 ARG H H 4 8.483 8.483 8.177 0.306 19203 3684 1 10 . 1 1 5 5 GLY N N 5 109.928 109.928 107.381 2.547 19203 3685 1 10 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.083 -1.415 19203 3686 1 10 . 1 1 5 5 GLY H H 5 8.344 8.344 8.200 0.144 19203 3687 1 10 . 1 1 6 6 ARG N N 6 120.896 120.896 117.733 3.163 19203 3688 1 10 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.649 -0.506 19203 3689 1 10 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.249 -1.730 19203 3690 1 10 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.866 -3.648 19203 3691 1 10 . 1 1 6 6 ARG H H 6 8.144 8.144 8.415 -0.271 19203 3692 1 10 . 1 1 7 7 TYR N N 7 121.118 121.118 119.966 1.152 19203 3693 1 10 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.605 -0.045 19203 3694 1 10 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.259 -3.454 19203 3695 1 10 . 1 1 7 7 TYR CB C 7 36.504 36.504 41.197 -4.693 19203 3696 1 10 . 1 1 7 7 TYR H H 7 8.218 8.218 8.625 -0.407 19203 3697 1 10 . 1 1 8 8 GLY N N 8 110.613 110.613 111.221 -0.608 19203 3698 1 10 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.867 -2.962 19203 3699 1 10 . 1 1 8 8 GLY H H 8 8.021 8.021 7.873 0.148 19203 3700 1 10 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.538 0.029 19203 3701 1 10 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.312 -2.511 19203 3702 1 10 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.002 -2.641 19203 3703 1 10 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.392 -0.028 19203 3704 1 10 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.099 -2.685 19203 3705 1 10 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.097 -0.630 19203 3706 1 10 . 1 1 11 11 SER N N 11 116.042 116.042 119.227 -3.185 19203 3707 1 10 . 1 1 11 11 SER HA H 11 4.394 4.394 4.787 -0.393 19203 3708 1 10 . 1 1 11 11 SER CA C 11 55.641 55.641 57.649 -2.008 19203 3709 1 10 . 1 1 11 11 SER CB C 11 61.349 61.349 65.370 -4.021 19203 3710 1 10 . 1 1 11 11 SER H H 11 8.263 8.263 8.107 0.156 19203 3711 1 10 . 1 1 12 12 ARG N N 12 123.432 123.432 119.695 3.737 19203 3712 1 10 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.970 -0.681 19203 3713 1 10 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.018 -1.707 19203 3714 1 10 . 1 1 12 12 ARG CB C 12 28.726 28.726 32.767 -4.041 19203 3715 1 10 . 1 1 12 12 ARG H H 12 8.317 8.317 8.479 -0.162 19203 3716 1 10 . 1 1 13 13 ARG N N 13 119.550 119.550 119.925 -0.375 19203 3717 1 10 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.355 -2.772 19203 3718 1 10 . 1 1 13 13 ARG H H 13 7.967 7.967 8.720 -0.753 19203 3719 1 10 . 1 1 14 14 SER N N 14 117.366 117.366 114.025 3.341 19203 3720 1 10 . 1 1 14 14 SER HA H 14 4.588 4.588 4.702 -0.114 19203 3721 1 10 . 1 1 14 14 SER CA C 14 54.505 54.505 57.557 -3.053 19203 3722 1 10 . 1 1 14 14 SER CB C 14 63.906 63.906 66.614 -2.708 19203 3723 1 10 . 1 1 14 14 SER H H 14 8.660 8.660 8.324 0.336 19203 3724 1 10 . 1 1 15 15 GLU N N 15 116.212 116.212 121.263 -5.051 19203 3725 1 10 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.121 0.191 19203 3726 1 10 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.931 -4.984 19203 3727 1 10 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.371 -1.264 19203 3728 1 10 . 1 1 15 15 GLU H H 15 8.472 8.472 8.943 -0.471 19203 3729 1 10 . 1 1 16 16 ASN N N 16 120.295 120.295 114.106 6.189 19203 3730 1 10 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.891 0.106 19203 3731 1 10 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.641 -2.710 19203 3732 1 10 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.320 -6.009 19203 3733 1 10 . 1 1 16 16 ASN H H 16 8.326 8.326 8.050 0.276 19203 3734 1 10 . 1 1 17 17 ARG N N 17 123.774 123.774 121.751 2.023 19203 3735 1 10 . 1 1 17 17 ARG HA H 17 5.269 5.269 5.089 0.180 19203 3736 1 10 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.314 -2.474 19203 3737 1 10 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.271 -1.849 19203 3738 1 10 . 1 1 17 17 ARG H H 17 7.726 7.726 7.649 0.077 19203 3739 1 10 . 1 1 18 18 VAL N N 18 117.634 117.634 119.133 -1.499 19203 3740 1 10 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.045 -0.003 19203 3741 1 10 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.192 -3.102 19203 3742 1 10 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.446 -3.700 19203 3743 1 10 . 1 1 18 18 VAL H H 18 9.197 9.197 8.974 0.223 19203 3744 1 10 . 1 1 19 19 VAL N N 19 119.956 119.956 118.896 1.060 19203 3745 1 10 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.882 0.043 19203 3746 1 10 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.698 -2.927 19203 3747 1 10 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.695 -4.120 19203 3748 1 10 . 1 1 19 19 VAL H H 19 9.111 9.111 8.734 0.377 19203 3749 1 10 . 1 1 20 20 VAL N N 20 125.976 125.976 122.030 3.946 19203 3750 1 10 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.106 0.263 19203 3751 1 10 . 1 1 20 20 VAL CA C 20 56.514 56.514 59.678 -3.163 19203 3752 1 10 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.119 -3.072 19203 3753 1 10 . 1 1 20 20 VAL H H 20 8.678 8.678 8.731 -0.053 19203 3754 1 10 . 1 1 21 21 SER N N 21 117.905 117.905 115.669 2.236 19203 3755 1 10 . 1 1 21 21 SER HA H 21 5.075 5.075 5.296 -0.221 19203 3756 1 10 . 1 1 21 21 SER CA C 21 54.228 54.228 56.298 -2.070 19203 3757 1 10 . 1 1 21 21 SER CB C 21 63.312 63.312 66.406 -3.094 19203 3758 1 10 . 1 1 21 21 SER H H 21 8.917 8.917 8.559 0.358 19203 3759 1 10 . 1 1 22 22 GLY N N 22 108.144 108.144 107.760 0.384 19203 3760 1 10 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.909 -2.444 19203 3761 1 10 . 1 1 22 22 GLY H H 22 8.079 8.079 8.335 -0.256 19203 3762 1 10 . 1 1 23 23 LEU N N 23 119.379 119.379 122.537 -3.158 19203 3763 1 10 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.057 -0.634 19203 3764 1 10 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.099 -2.226 19203 3765 1 10 . 1 1 23 23 LEU CB C 23 38.078 38.078 39.873 -1.795 19203 3766 1 10 . 1 1 23 23 LEU H H 23 8.485 8.485 7.304 1.181 19203 3767 1 10 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.865 -2.966 19203 3768 1 10 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.291 -0.033 19203 3769 1 10 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.435 -1.676 19203 3770 1 10 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.969 -2.740 19203 3771 1 10 . 1 1 26 26 SER N N 26 106.249 106.249 113.072 -6.823 19203 3772 1 10 . 1 1 26 26 SER HA H 26 4.319 4.319 4.632 -0.313 19203 3773 1 10 . 1 1 26 26 SER CA C 26 55.722 55.722 58.020 -2.298 19203 3774 1 10 . 1 1 26 26 SER CB C 26 61.171 61.171 64.182 -3.011 19203 3775 1 10 . 1 1 26 26 SER H H 26 7.309 7.309 7.956 -0.647 19203 3776 1 10 . 1 1 27 27 GLY N N 27 107.883 107.883 109.116 -1.233 19203 3777 1 10 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.545 -0.341 19203 3778 1 10 . 1 1 27 27 GLY H H 27 8.075 8.075 7.919 0.156 19203 3779 1 10 . 1 1 28 28 SER N N 28 123.917 123.917 119.468 4.449 19203 3780 1 10 . 1 1 28 28 SER HA H 28 4.903 4.903 4.961 -0.058 19203 3781 1 10 . 1 1 28 28 SER CA C 28 53.260 53.260 57.038 -3.778 19203 3782 1 10 . 1 1 28 28 SER CB C 28 64.609 64.609 66.461 -1.852 19203 3783 1 10 . 1 1 28 28 SER H H 28 9.021 9.021 8.189 0.832 19203 3784 1 10 . 1 1 29 29 TRP N N 29 120.079 120.079 122.210 -2.131 19203 3785 1 10 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.570 -0.546 19203 3786 1 10 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.264 -2.200 19203 3787 1 10 . 1 1 29 29 TRP CB C 29 25.222 25.222 29.002 -3.780 19203 3788 1 10 . 1 1 29 29 TRP H H 29 9.042 9.042 8.769 0.273 19203 3789 1 10 . 1 1 30 30 GLN N N 30 123.085 123.085 120.608 2.477 19203 3790 1 10 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.116 -0.922 19203 3791 1 10 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.338 -2.372 19203 3792 1 10 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.717 -3.033 19203 3793 1 10 . 1 1 30 30 GLN H H 30 7.587 7.587 8.092 -0.505 19203 3794 1 10 . 1 1 31 31 ASP N N 31 120.127 120.127 120.063 0.064 19203 3795 1 10 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.307 -0.157 19203 3796 1 10 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.258 -2.923 19203 3797 1 10 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.211 -0.939 19203 3798 1 10 . 1 1 31 31 ASP H H 31 7.697 7.697 8.426 -0.729 19203 3799 1 10 . 1 1 32 32 LEU N N 32 122.010 122.010 121.693 0.317 19203 3800 1 10 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.412 -0.207 19203 3801 1 10 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.465 -2.926 19203 3802 1 10 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.732 -2.731 19203 3803 1 10 . 1 1 32 32 LEU H H 32 8.260 8.260 8.713 -0.453 19203 3804 1 10 . 1 1 33 33 LYS N N 33 120.333 120.333 117.644 2.689 19203 3805 1 10 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.110 -0.598 19203 3806 1 10 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.602 -1.117 19203 3807 1 10 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.538 -2.899 19203 3808 1 10 . 1 1 33 33 LYS H H 33 8.506 8.506 8.505 0.001 19203 3809 1 10 . 1 1 34 34 ASP N N 34 117.666 117.666 116.995 0.671 19203 3810 1 10 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.494 -0.211 19203 3811 1 10 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.660 -1.778 19203 3812 1 10 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.165 -3.625 19203 3813 1 10 . 1 1 34 34 ASP H H 34 8.353 8.353 8.206 0.147 19203 3814 1 10 . 1 1 35 35 HIS N N 35 119.654 119.654 117.462 2.192 19203 3815 1 10 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.625 -0.518 19203 3816 1 10 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.894 -1.570 19203 3817 1 10 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.367 -1.102 19203 3818 1 10 . 1 1 35 35 HIS H H 35 7.943 7.943 7.961 -0.018 19203 3819 1 10 . 1 1 36 36 MET N N 36 111.628 111.628 119.397 -7.769 19203 3820 1 10 . 1 1 36 36 MET HA H 36 4.572 4.572 4.461 0.111 19203 3821 1 10 . 1 1 36 36 MET CA C 36 52.172 52.172 55.479 -3.307 19203 3822 1 10 . 1 1 36 36 MET CB C 36 31.060 31.060 32.579 -1.519 19203 3823 1 10 . 1 1 36 36 MET H H 36 7.812 7.812 8.516 -0.704 19203 3824 1 10 . 1 1 37 37 ARG N N 37 119.419 119.419 115.243 4.176 19203 3825 1 10 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.360 0.273 19203 3826 1 10 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.620 -0.213 19203 3827 1 10 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.907 -2.906 19203 3828 1 10 . 1 1 37 37 ARG H H 37 7.929 7.929 7.850 0.079 19203 3829 1 10 . 1 1 38 38 GLU N N 38 118.450 118.450 121.746 -3.296 19203 3830 1 10 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.040 -0.053 19203 3831 1 10 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.226 -2.639 19203 3832 1 10 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.699 -2.242 19203 3833 1 10 . 1 1 38 38 GLU H H 38 7.524 7.524 7.637 -0.113 19203 3834 1 10 . 1 1 39 39 ALA N N 39 118.496 118.496 117.021 1.475 19203 3835 1 10 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.573 -0.594 19203 3836 1 10 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.011 -1.785 19203 3837 1 10 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.197 -1.540 19203 3838 1 10 . 1 1 39 39 ALA H H 39 7.958 7.958 8.159 -0.201 19203 3839 1 10 . 1 1 40 40 GLY N N 40 101.970 101.970 106.838 -4.868 19203 3840 1 10 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.699 -3.179 19203 3841 1 10 . 1 1 40 40 GLY H H 40 7.172 7.172 7.571 -0.399 19203 3842 1 10 . 1 1 41 41 ASP N N 41 116.412 116.412 121.856 -5.444 19203 3843 1 10 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.835 -0.384 19203 3844 1 10 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.093 0.155 19203 3845 1 10 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.878 -5.492 19203 3846 1 10 . 1 1 41 41 ASP H H 41 7.917 7.917 8.014 -0.097 19203 3847 1 10 . 1 1 42 42 VAL N N 42 128.043 128.043 122.552 5.491 19203 3848 1 10 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.248 -0.222 19203 3849 1 10 . 1 1 42 42 VAL CA C 42 58.823 58.823 59.805 -0.982 19203 3850 1 10 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.020 -2.076 19203 3851 1 10 . 1 1 42 42 VAL H H 42 8.366 8.366 8.087 0.279 19203 3852 1 10 . 1 1 43 43 CYS N N 43 122.686 122.686 126.032 -3.346 19203 3853 1 10 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.584 0.195 19203 3854 1 10 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.659 -3.521 19203 3855 1 10 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.862 -3.207 19203 3856 1 10 . 1 1 43 43 CYS H H 43 8.800 8.800 8.575 0.225 19203 3857 1 10 . 1 1 44 44 TYR N N 44 122.582 122.582 121.298 1.284 19203 3858 1 10 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.636 -0.200 19203 3859 1 10 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.365 -1.577 19203 3860 1 10 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.079 -1.276 19203 3861 1 10 . 1 1 44 44 TYR H H 44 7.420 7.420 8.273 -0.853 19203 3862 1 10 . 1 1 45 45 ALA N N 45 127.108 127.108 129.303 -2.195 19203 3863 1 10 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.712 0.229 19203 3864 1 10 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.930 -2.895 19203 3865 1 10 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.330 -2.091 19203 3866 1 10 . 1 1 45 45 ALA H H 45 7.107 7.107 7.684 -0.577 19203 3867 1 10 . 1 1 46 46 ASP N N 46 117.612 117.612 120.754 -3.142 19203 3868 1 10 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.888 -0.265 19203 3869 1 10 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.928 -3.409 19203 3870 1 10 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.607 -2.814 19203 3871 1 10 . 1 1 46 46 ASP H H 46 8.463 8.463 8.464 -0.001 19203 3872 1 10 . 1 1 47 47 VAL N N 47 116.535 116.535 119.079 -2.544 19203 3873 1 10 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.459 -0.213 19203 3874 1 10 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.713 -2.656 19203 3875 1 10 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.411 -2.510 19203 3876 1 10 . 1 1 47 47 VAL H H 47 8.096 8.096 8.252 -0.156 19203 3877 1 10 . 1 1 48 48 TYR N N 48 124.428 124.428 118.615 5.813 19203 3878 1 10 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.892 0.051 19203 3879 1 10 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.541 -3.273 19203 3880 1 10 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.801 -3.616 19203 3881 1 10 . 1 1 48 48 TYR H H 48 8.673 8.673 7.542 1.131 19203 3882 1 10 . 1 1 49 49 ARG N N 49 117.750 117.750 122.068 -4.318 19203 3883 1 10 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.275 -0.086 19203 3884 1 10 . 1 1 49 49 ARG CA C 49 55.114 55.114 57.241 -2.127 19203 3885 1 10 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.748 -2.038 19203 3886 1 10 . 1 1 49 49 ARG H H 49 8.520 8.520 8.778 -0.258 19203 3887 1 10 . 1 1 50 50 ASP N N 50 117.696 117.696 119.596 -1.900 19203 3888 1 10 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.755 -0.175 19203 3889 1 10 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.998 -3.822 19203 3890 1 10 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.493 -4.588 19203 3891 1 10 . 1 1 50 50 ASP H H 50 7.960 7.960 8.002 -0.042 19203 3892 1 10 . 1 1 51 51 GLY N N 51 108.367 108.367 109.022 -0.655 19203 3893 1 10 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.950 -2.386 19203 3894 1 10 . 1 1 51 51 GLY H H 51 8.053 8.053 8.241 -0.188 19203 3895 1 10 . 1 1 52 52 THR N N 52 109.991 109.991 109.798 0.193 19203 3896 1 10 . 1 1 52 52 THR HA H 52 5.497 5.497 5.093 0.404 19203 3897 1 10 . 1 1 52 52 THR CA C 52 57.040 57.040 59.377 -2.337 19203 3898 1 10 . 1 1 52 52 THR CB C 52 69.847 69.847 71.874 -2.027 19203 3899 1 10 . 1 1 52 52 THR H H 52 7.637 7.637 6.964 0.673 19203 3900 1 10 . 1 1 53 53 GLY N N 53 105.727 105.727 106.030 -0.303 19203 3901 1 10 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.276 -1.978 19203 3902 1 10 . 1 1 53 53 GLY H H 53 8.801 8.801 7.819 0.982 19203 3903 1 10 . 1 1 54 54 VAL N N 54 117.327 117.327 119.414 -2.087 19203 3904 1 10 . 1 1 54 54 VAL HA H 54 5.357 5.357 5.133 0.224 19203 3905 1 10 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.725 -2.905 19203 3906 1 10 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.075 -1.352 19203 3907 1 10 . 1 1 54 54 VAL H H 54 8.585 8.585 9.085 -0.500 19203 3908 1 10 . 1 1 55 55 VAL N N 55 120.925 120.925 126.036 -5.111 19203 3909 1 10 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.939 -0.308 19203 3910 1 10 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.897 -2.917 19203 3911 1 10 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.886 -4.098 19203 3912 1 10 . 1 1 55 55 VAL H H 55 8.475 8.475 9.122 -0.647 19203 3913 1 10 . 1 1 56 56 GLU N N 56 123.932 123.932 124.318 -0.386 19203 3914 1 10 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.048 -0.050 19203 3915 1 10 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.061 -3.702 19203 3916 1 10 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.836 -3.762 19203 3917 1 10 . 1 1 56 56 GLU H H 56 8.896 8.896 8.885 0.011 19203 3918 1 10 . 1 1 57 57 PHE N N 57 120.441 120.441 124.908 -4.467 19203 3919 1 10 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.688 0.301 19203 3920 1 10 . 1 1 57 57 PHE CA C 57 55.075 55.075 58.179 -3.104 19203 3921 1 10 . 1 1 57 57 PHE CB C 57 39.280 39.280 39.607 -0.327 19203 3922 1 10 . 1 1 57 57 PHE H H 57 8.549 8.549 9.214 -0.665 19203 3923 1 10 . 1 1 58 58 VAL N N 58 125.263 125.263 118.557 6.706 19203 3924 1 10 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.885 -0.313 19203 3925 1 10 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.237 -0.844 19203 3926 1 10 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.341 -2.780 19203 3927 1 10 . 1 1 58 58 VAL H H 58 8.123 8.123 8.178 -0.055 19203 3928 1 10 . 1 1 59 59 ARG N N 59 117.434 117.434 117.782 -0.348 19203 3929 1 10 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.564 0.149 19203 3930 1 10 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.941 -2.900 19203 3931 1 10 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.198 -3.590 19203 3932 1 10 . 1 1 59 59 ARG H H 59 9.504 9.504 7.932 1.572 19203 3933 1 10 . 1 1 60 60 LYS N N 60 127.390 127.390 123.135 4.255 19203 3934 1 10 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.127 -0.501 19203 3935 1 10 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.728 -2.303 19203 3936 1 10 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.433 -2.793 19203 3937 1 10 . 1 1 60 60 LYS H H 60 8.955 8.955 8.934 0.021 19203 3938 1 10 . 1 1 61 61 GLU N N 61 117.610 117.610 117.089 0.521 19203 3939 1 10 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.213 -0.240 19203 3940 1 10 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.574 -2.702 19203 3941 1 10 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.189 -3.098 19203 3942 1 10 . 1 1 61 61 GLU H H 61 9.814 9.814 8.773 1.041 19203 3943 1 10 . 1 1 62 62 ASP N N 62 121.439 121.439 120.489 0.950 19203 3944 1 10 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.747 -0.398 19203 3945 1 10 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.489 -3.067 19203 3946 1 10 . 1 1 62 62 ASP CB C 62 37.270 37.270 41.221 -3.951 19203 3947 1 10 . 1 1 62 62 ASP H H 62 6.760 6.760 7.823 -1.063 19203 3948 1 10 . 1 1 63 63 MET N N 63 120.225 120.225 121.099 -0.874 19203 3949 1 10 . 1 1 63 63 MET HA H 63 3.070 3.070 3.600 -0.530 19203 3950 1 10 . 1 1 63 63 MET CA C 63 56.211 56.211 58.979 -2.768 19203 3951 1 10 . 1 1 63 63 MET CB C 63 30.414 30.414 32.192 -1.778 19203 3952 1 10 . 1 1 63 63 MET H H 63 6.863 6.863 8.331 -1.468 19203 3953 1 10 . 1 1 64 64 THR N N 64 113.874 113.874 114.741 -0.867 19203 3954 1 10 . 1 1 64 64 THR HA H 64 3.663 3.663 3.905 -0.242 19203 3955 1 10 . 1 1 64 64 THR CA C 64 63.733 63.733 67.173 -3.440 19203 3956 1 10 . 1 1 64 64 THR CB C 64 65.692 65.692 68.470 -2.778 19203 3957 1 10 . 1 1 64 64 THR H H 64 7.900 7.900 8.579 -0.679 19203 3958 1 10 . 1 1 65 65 TYR N N 65 122.573 122.573 121.859 0.714 19203 3959 1 10 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.122 -0.117 19203 3960 1 10 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.397 -2.947 19203 3961 1 10 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.267 -2.569 19203 3962 1 10 . 1 1 65 65 TYR H H 65 7.530 7.530 7.579 -0.049 19203 3963 1 10 . 1 1 66 66 ALA N N 66 120.898 120.898 120.771 0.127 19203 3964 1 10 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.140 -0.502 19203 3965 1 10 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.290 -2.268 19203 3966 1 10 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.931 -1.349 19203 3967 1 10 . 1 1 66 66 ALA H H 66 8.144 8.144 8.210 -0.066 19203 3968 1 10 . 1 1 67 67 VAL N N 67 115.474 115.474 115.958 -0.484 19203 3969 1 10 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.787 -0.471 19203 3970 1 10 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.025 -1.376 19203 3971 1 10 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.783 -2.321 19203 3972 1 10 . 1 1 67 67 VAL H H 67 7.602 7.602 7.477 0.125 19203 3973 1 10 . 1 1 68 68 ARG N N 68 116.635 116.635 114.635 2.000 19203 3974 1 10 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.394 -0.352 19203 3975 1 10 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.870 -0.881 19203 3976 1 10 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.102 -2.650 19203 3977 1 10 . 1 1 68 68 ARG H H 68 7.531 7.531 7.508 0.023 19203 3978 1 10 . 1 1 69 69 LYS N N 69 115.566 115.566 117.187 -1.621 19203 3979 1 10 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.521 -0.300 19203 3980 1 10 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.204 -2.635 19203 3981 1 10 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.540 -3.547 19203 3982 1 10 . 1 1 69 69 LYS H H 69 8.664 8.664 8.040 0.624 19203 3983 1 10 . 1 1 70 70 LEU N N 70 114.943 114.943 120.283 -5.340 19203 3984 1 10 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.662 0.164 19203 3985 1 10 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.198 -3.712 19203 3986 1 10 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.113 -3.848 19203 3987 1 10 . 1 1 70 70 LEU H H 70 8.164 8.164 8.011 0.153 19203 3988 1 10 . 1 1 71 71 ASP N N 71 119.864 119.864 118.882 0.982 19203 3989 1 10 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.665 -0.273 19203 3990 1 10 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.034 0.150 19203 3991 1 10 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.172 -2.709 19203 3992 1 10 . 1 1 71 71 ASP H H 71 6.910 6.910 7.724 -0.814 19203 3993 1 10 . 1 1 72 72 ASN N N 72 123.602 123.602 117.968 5.634 19203 3994 1 10 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.628 0.053 19203 3995 1 10 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.061 -2.359 19203 3996 1 10 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.778 -2.718 19203 3997 1 10 . 1 1 72 72 ASN H H 72 9.037 9.037 8.741 0.296 19203 3998 1 10 . 1 1 73 73 THR N N 73 105.063 105.063 106.987 -1.924 19203 3999 1 10 . 1 1 73 73 THR HA H 73 4.674 4.674 4.462 0.212 19203 4000 1 10 . 1 1 73 73 THR CA C 73 57.397 57.397 61.238 -3.841 19203 4001 1 10 . 1 1 73 73 THR CB C 73 70.412 70.412 70.579 -0.167 19203 4002 1 10 . 1 1 73 73 THR H H 73 7.187 7.187 7.415 -0.228 19203 4003 1 10 . 1 1 74 74 LYS N N 74 120.141 120.141 121.021 -0.880 19203 4004 1 10 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.751 -1.095 19203 4005 1 10 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.244 -2.411 19203 4006 1 10 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.043 -4.138 19203 4007 1 10 . 1 1 74 74 LYS H H 74 8.384 8.384 8.554 -0.170 19203 4008 1 10 . 1 1 75 75 PHE N N 75 132.829 132.829 119.766 13.063 19203 4009 1 10 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.441 -0.125 19203 4010 1 10 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.621 -3.418 19203 4011 1 10 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.238 -1.782 19203 4012 1 10 . 1 1 75 75 PHE H H 75 9.243 9.243 8.636 0.607 19203 4013 1 10 . 1 1 76 76 ARG N N 76 128.489 128.489 128.839 -0.350 19203 4014 1 10 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.099 0.699 19203 4015 1 10 . 1 1 76 76 ARG CA C 76 50.981 50.981 56.708 -5.727 19203 4016 1 10 . 1 1 76 76 ARG CB C 76 30.374 30.374 29.905 0.469 19203 4017 1 10 . 1 1 76 76 ARG H H 76 8.293 8.293 7.860 0.433 19203 4018 1 10 . 1 1 77 77 SER N N 77 120.971 120.971 119.217 1.754 19203 4019 1 10 . 1 1 77 77 SER HA H 77 4.278 4.278 4.703 -0.425 19203 4020 1 10 . 1 1 77 77 SER CA C 77 53.406 53.406 57.562 -4.156 19203 4021 1 10 . 1 1 77 77 SER CB C 77 63.802 63.802 65.904 -2.102 19203 4022 1 10 . 1 1 77 77 SER H H 77 9.107 9.107 8.367 0.740 19203 4023 1 10 . 1 1 78 78 HIS N N 78 118.463 118.463 119.069 -0.606 19203 4024 1 10 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.471 -0.096 19203 4025 1 10 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.819 -1.928 19203 4026 1 10 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.073 -5.835 19203 4027 1 10 . 1 1 78 78 HIS H H 78 9.696 9.696 8.592 1.104 19203 4028 1 10 . 1 1 79 79 GLU N N 79 116.714 116.714 118.791 -2.077 19203 4029 1 10 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.411 -0.068 19203 4030 1 10 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.760 -2.820 19203 4031 1 10 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.708 -2.195 19203 4032 1 10 . 1 1 79 79 GLU H H 79 7.053 7.053 7.711 -0.658 19203 4033 1 10 . 1 1 80 80 GLY N N 80 108.106 108.106 108.284 -0.178 19203 4034 1 10 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.877 -3.240 19203 4035 1 10 . 1 1 80 80 GLY H H 80 7.835 7.835 8.443 -0.608 19203 4036 1 10 . 1 1 81 81 GLU N N 81 119.017 119.017 118.879 0.138 19203 4037 1 10 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.787 -0.453 19203 4038 1 10 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.646 -0.919 19203 4039 1 10 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.762 -2.284 19203 4040 1 10 . 1 1 81 81 GLU H H 81 7.067 7.067 7.649 -0.582 19203 4041 1 10 . 1 1 82 82 THR N N 82 114.312 114.312 112.228 2.084 19203 4042 1 10 . 1 1 82 82 THR HA H 82 5.771 5.771 5.273 0.498 19203 4043 1 10 . 1 1 82 82 THR CA C 82 56.694 56.694 60.531 -3.837 19203 4044 1 10 . 1 1 82 82 THR CB C 82 69.359 69.359 71.730 -2.371 19203 4045 1 10 . 1 1 82 82 THR H H 82 8.499 8.499 8.360 0.139 19203 4046 1 10 . 1 1 83 83 ALA N N 83 123.125 123.125 127.069 -3.944 19203 4047 1 10 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.763 -0.322 19203 4048 1 10 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.020 -0.923 19203 4049 1 10 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.874 -0.375 19203 4050 1 10 . 1 1 83 83 ALA H H 83 8.674 8.674 8.364 0.310 19203 4051 1 10 . 1 1 84 84 TYR N N 84 120.587 120.587 117.437 3.150 19203 4052 1 10 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.478 -0.505 19203 4053 1 10 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.827 0.073 19203 4054 1 10 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.993 -3.841 19203 4055 1 10 . 1 1 84 84 TYR H H 84 8.708 8.708 8.297 0.411 19203 4056 1 10 . 1 1 85 85 ILE N N 85 116.081 116.081 113.285 2.796 19203 4057 1 10 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.080 -0.228 19203 4058 1 10 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.494 -1.565 19203 4059 1 10 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.507 -4.132 19203 4060 1 10 . 1 1 85 85 ILE H H 85 8.182 8.182 8.962 -0.780 19203 4061 1 10 . 1 1 86 86 ARG N N 86 117.289 117.289 119.868 -2.579 19203 4062 1 10 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.799 0.438 19203 4063 1 10 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.261 -5.114 19203 4064 1 10 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.994 -5.521 19203 4065 1 10 . 1 1 86 86 ARG H H 86 8.250 8.250 8.132 0.118 19203 4066 1 10 . 1 1 87 87 VAL N N 87 121.679 121.679 124.571 -2.892 19203 4067 1 10 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.200 0.433 19203 4068 1 10 . 1 1 87 87 VAL CA C 87 58.639 58.639 62.850 -4.211 19203 4069 1 10 . 1 1 87 87 VAL CB C 87 32.629 32.629 31.692 0.937 19203 4070 1 10 . 1 1 87 87 VAL H H 87 8.983 8.983 8.747 0.236 19203 4071 1 10 . 1 1 88 88 LYS N N 88 123.579 123.579 124.192 -0.613 19203 4072 1 10 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.686 0.067 19203 4073 1 10 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.521 -2.623 19203 4074 1 10 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.646 -1.503 19203 4075 1 10 . 1 1 88 88 LYS H H 88 8.679 8.679 8.842 -0.163 19203 4076 1 10 . 1 1 89 89 VAL N N 89 119.787 119.787 120.188 -0.401 19203 4077 1 10 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.990 0.135 19203 4078 1 10 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.408 -1.368 19203 4079 1 10 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.772 -1.431 19203 4080 1 10 . 1 1 89 89 VAL H H 89 8.454 8.454 8.395 0.059 19203 4081 1 11 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.619 -0.086 19203 4082 1 11 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.372 -3.487 19203 4083 1 11 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.794 -4.172 19203 4084 1 11 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.405 0.421 19203 4085 1 11 . 1 1 3 3 PRO CA C 3 58.309 58.309 63.664 -5.355 19203 4086 1 11 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.553 -4.761 19203 4087 1 11 . 1 1 4 4 ARG N N 4 121.678 121.678 116.519 5.159 19203 4088 1 11 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.391 -0.170 19203 4089 1 11 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.577 -2.002 19203 4090 1 11 . 1 1 4 4 ARG CB C 4 28.467 28.467 30.845 -2.378 19203 4091 1 11 . 1 1 4 4 ARG H H 4 8.483 8.483 7.773 0.710 19203 4092 1 11 . 1 1 5 5 GLY N N 5 109.928 109.928 108.895 1.033 19203 4093 1 11 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.906 -2.238 19203 4094 1 11 . 1 1 5 5 GLY H H 5 8.344 8.344 8.305 0.039 19203 4095 1 11 . 1 1 6 6 ARG N N 6 120.896 120.896 118.624 2.272 19203 4096 1 11 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.646 -0.504 19203 4097 1 11 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.259 -1.740 19203 4098 1 11 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.290 -3.072 19203 4099 1 11 . 1 1 6 6 ARG H H 6 8.144 8.144 8.470 -0.326 19203 4100 1 11 . 1 1 7 7 TYR N N 7 121.118 121.118 119.751 1.367 19203 4101 1 11 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.685 -0.125 19203 4102 1 11 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.681 -3.876 19203 4103 1 11 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.845 -3.341 19203 4104 1 11 . 1 1 7 7 TYR H H 7 8.218 8.218 8.290 -0.072 19203 4105 1 11 . 1 1 8 8 GLY N N 8 110.613 110.613 112.680 -2.067 19203 4106 1 11 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.368 -2.463 19203 4107 1 11 . 1 1 8 8 GLY H H 8 8.021 8.021 8.161 -0.140 19203 4108 1 11 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.721 -0.154 19203 4109 1 11 . 1 1 9 9 PRO CA C 9 58.800 58.800 62.023 -3.223 19203 4110 1 11 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.002 -2.640 19203 4111 1 11 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.338 0.026 19203 4112 1 11 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.133 -2.719 19203 4113 1 11 . 1 1 10 10 PRO CB C 10 29.467 29.467 32.373 -2.906 19203 4114 1 11 . 1 1 11 11 SER N N 11 116.042 116.042 112.268 3.774 19203 4115 1 11 . 1 1 11 11 SER HA H 11 4.394 4.394 4.541 -0.147 19203 4116 1 11 . 1 1 11 11 SER CA C 11 55.641 55.641 57.808 -2.167 19203 4117 1 11 . 1 1 11 11 SER CB C 11 61.349 61.349 64.419 -3.070 19203 4118 1 11 . 1 1 11 11 SER H H 11 8.263 8.263 8.265 -0.002 19203 4119 1 11 . 1 1 12 12 ARG N N 12 123.432 123.432 123.102 0.330 19203 4120 1 11 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.546 -0.257 19203 4121 1 11 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.963 -2.652 19203 4122 1 11 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.043 -2.317 19203 4123 1 11 . 1 1 12 12 ARG H H 12 8.317 8.317 8.567 -0.250 19203 4124 1 11 . 1 1 13 13 ARG N N 13 119.550 119.550 119.799 -0.249 19203 4125 1 11 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.239 -2.656 19203 4126 1 11 . 1 1 13 13 ARG H H 13 7.967 7.967 8.627 -0.660 19203 4127 1 11 . 1 1 14 14 SER N N 14 117.366 117.366 113.556 3.810 19203 4128 1 11 . 1 1 14 14 SER HA H 14 4.588 4.588 4.659 -0.071 19203 4129 1 11 . 1 1 14 14 SER CA C 14 54.505 54.505 57.762 -3.257 19203 4130 1 11 . 1 1 14 14 SER CB C 14 63.906 63.906 65.110 -1.204 19203 4131 1 11 . 1 1 14 14 SER H H 14 8.660 8.660 7.922 0.738 19203 4132 1 11 . 1 1 15 15 GLU N N 15 116.212 116.212 121.734 -5.522 19203 4133 1 11 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.294 0.018 19203 4134 1 11 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.456 -3.510 19203 4135 1 11 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.695 -1.588 19203 4136 1 11 . 1 1 15 15 GLU H H 15 8.472 8.472 8.815 -0.343 19203 4137 1 11 . 1 1 16 16 ASN N N 16 120.295 120.295 115.779 4.516 19203 4138 1 11 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.932 0.065 19203 4139 1 11 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.709 -2.778 19203 4140 1 11 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.008 -5.697 19203 4141 1 11 . 1 1 16 16 ASN H H 16 8.326 8.326 8.024 0.302 19203 4142 1 11 . 1 1 17 17 ARG N N 17 123.774 123.774 120.630 3.144 19203 4143 1 11 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.788 0.481 19203 4144 1 11 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.170 -2.330 19203 4145 1 11 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.828 -2.406 19203 4146 1 11 . 1 1 17 17 ARG H H 17 7.726 7.726 7.857 -0.131 19203 4147 1 11 . 1 1 18 18 VAL N N 18 117.634 117.634 119.672 -2.038 19203 4148 1 11 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.200 -0.158 19203 4149 1 11 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.120 -3.030 19203 4150 1 11 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.249 -3.503 19203 4151 1 11 . 1 1 18 18 VAL H H 18 9.197 9.197 8.986 0.211 19203 4152 1 11 . 1 1 19 19 VAL N N 19 119.956 119.956 117.273 2.683 19203 4153 1 11 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.592 0.333 19203 4154 1 11 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.394 -2.623 19203 4155 1 11 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.436 -3.861 19203 4156 1 11 . 1 1 19 19 VAL H H 19 9.111 9.111 8.555 0.556 19203 4157 1 11 . 1 1 20 20 VAL N N 20 125.976 125.976 122.957 3.019 19203 4158 1 11 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.664 0.705 19203 4159 1 11 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.819 -4.305 19203 4160 1 11 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.122 -2.075 19203 4161 1 11 . 1 1 20 20 VAL H H 20 8.678 8.678 8.820 -0.142 19203 4162 1 11 . 1 1 21 21 SER N N 21 117.905 117.905 118.457 -0.552 19203 4163 1 11 . 1 1 21 21 SER HA H 21 5.075 5.075 5.384 -0.309 19203 4164 1 11 . 1 1 21 21 SER CA C 21 54.228 54.228 55.922 -1.694 19203 4165 1 11 . 1 1 21 21 SER CB C 21 63.312 63.312 66.468 -3.155 19203 4166 1 11 . 1 1 21 21 SER H H 21 8.917 8.917 8.286 0.631 19203 4167 1 11 . 1 1 22 22 GLY N N 22 108.144 108.144 107.704 0.440 19203 4168 1 11 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.241 -2.776 19203 4169 1 11 . 1 1 22 22 GLY H H 22 8.079 8.079 8.179 -0.100 19203 4170 1 11 . 1 1 23 23 LEU N N 23 119.379 119.379 121.473 -2.094 19203 4171 1 11 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.091 -0.668 19203 4172 1 11 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.468 -2.595 19203 4173 1 11 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.322 -3.244 19203 4174 1 11 . 1 1 23 23 LEU H H 23 8.485 8.485 7.370 1.115 19203 4175 1 11 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.903 -3.004 19203 4176 1 11 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.408 -0.150 19203 4177 1 11 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.096 -1.337 19203 4178 1 11 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.842 -2.613 19203 4179 1 11 . 1 1 26 26 SER N N 26 106.249 106.249 114.233 -7.984 19203 4180 1 11 . 1 1 26 26 SER HA H 26 4.319 4.319 4.705 -0.386 19203 4181 1 11 . 1 1 26 26 SER CA C 26 55.722 55.722 57.428 -1.706 19203 4182 1 11 . 1 1 26 26 SER CB C 26 61.171 61.171 63.684 -2.513 19203 4183 1 11 . 1 1 26 26 SER H H 26 7.309 7.309 7.690 -0.381 19203 4184 1 11 . 1 1 27 27 GLY N N 27 107.883 107.883 108.261 -0.378 19203 4185 1 11 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.842 -0.638 19203 4186 1 11 . 1 1 27 27 GLY H H 27 8.075 8.075 7.479 0.596 19203 4187 1 11 . 1 1 28 28 SER N N 28 123.917 123.917 116.321 7.596 19203 4188 1 11 . 1 1 28 28 SER HA H 28 4.903 4.903 4.773 0.130 19203 4189 1 11 . 1 1 28 28 SER CA C 28 53.260 53.260 54.848 -1.588 19203 4190 1 11 . 1 1 28 28 SER CB C 28 64.609 64.609 65.306 -0.697 19203 4191 1 11 . 1 1 28 28 SER H H 28 9.021 9.021 8.748 0.273 19203 4192 1 11 . 1 1 29 29 TRP N N 29 120.079 120.079 122.798 -2.719 19203 4193 1 11 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.530 -0.506 19203 4194 1 11 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.797 -1.733 19203 4195 1 11 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.854 -3.632 19203 4196 1 11 . 1 1 29 29 TRP H H 29 9.042 9.042 8.447 0.595 19203 4197 1 11 . 1 1 30 30 GLN N N 30 123.085 123.085 119.897 3.188 19203 4198 1 11 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.971 -0.777 19203 4199 1 11 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.499 -2.533 19203 4200 1 11 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.262 -2.578 19203 4201 1 11 . 1 1 30 30 GLN H H 30 7.587 7.587 7.314 0.273 19203 4202 1 11 . 1 1 31 31 ASP N N 31 120.127 120.127 119.537 0.590 19203 4203 1 11 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.352 -0.202 19203 4204 1 11 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.931 -2.596 19203 4205 1 11 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.127 -0.855 19203 4206 1 11 . 1 1 31 31 ASP H H 31 7.697 7.697 8.295 -0.598 19203 4207 1 11 . 1 1 32 32 LEU N N 32 122.010 122.010 121.821 0.189 19203 4208 1 11 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.344 -0.139 19203 4209 1 11 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.377 -2.837 19203 4210 1 11 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.651 -2.650 19203 4211 1 11 . 1 1 32 32 LEU H H 32 8.260 8.260 8.458 -0.198 19203 4212 1 11 . 1 1 33 33 LYS N N 33 120.333 120.333 118.583 1.750 19203 4213 1 11 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.049 -0.537 19203 4214 1 11 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.890 -1.405 19203 4215 1 11 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.351 -2.712 19203 4216 1 11 . 1 1 33 33 LYS H H 33 8.506 8.506 8.323 0.183 19203 4217 1 11 . 1 1 34 34 ASP N N 34 117.666 117.666 118.164 -0.498 19203 4218 1 11 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.494 -0.211 19203 4219 1 11 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.241 -1.359 19203 4220 1 11 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.090 -3.550 19203 4221 1 11 . 1 1 34 34 ASP H H 34 8.353 8.353 7.902 0.451 19203 4222 1 11 . 1 1 35 35 HIS N N 35 119.654 119.654 116.636 3.018 19203 4223 1 11 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.628 -0.521 19203 4224 1 11 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.847 -1.523 19203 4225 1 11 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.009 -0.744 19203 4226 1 11 . 1 1 35 35 HIS H H 35 7.943 7.943 7.791 0.152 19203 4227 1 11 . 1 1 36 36 MET N N 36 111.628 111.628 118.936 -7.308 19203 4228 1 11 . 1 1 36 36 MET HA H 36 4.572 4.572 4.511 0.061 19203 4229 1 11 . 1 1 36 36 MET CA C 36 52.172 52.172 57.972 -5.800 19203 4230 1 11 . 1 1 36 36 MET CB C 36 31.060 31.060 32.494 -1.434 19203 4231 1 11 . 1 1 36 36 MET H H 36 7.812 7.812 8.835 -1.023 19203 4232 1 11 . 1 1 37 37 ARG N N 37 119.419 119.419 118.765 0.654 19203 4233 1 11 . 1 1 37 37 ARG HA H 37 4.633 4.633 3.967 0.666 19203 4234 1 11 . 1 1 37 37 ARG CA C 37 55.407 55.407 58.172 -2.765 19203 4235 1 11 . 1 1 37 37 ARG CB C 37 27.001 27.001 28.212 -1.210 19203 4236 1 11 . 1 1 37 37 ARG H H 37 7.929 7.929 8.211 -0.282 19203 4237 1 11 . 1 1 38 38 GLU N N 38 118.450 118.450 120.395 -1.945 19203 4238 1 11 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.119 -0.132 19203 4239 1 11 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.771 -3.184 19203 4240 1 11 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.689 -2.232 19203 4241 1 11 . 1 1 38 38 GLU H H 38 7.524 7.524 7.732 -0.208 19203 4242 1 11 . 1 1 39 39 ALA N N 39 118.496 118.496 117.219 1.277 19203 4243 1 11 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.748 -0.769 19203 4244 1 11 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.337 -2.111 19203 4245 1 11 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.809 -2.152 19203 4246 1 11 . 1 1 39 39 ALA H H 39 7.958 7.958 7.775 0.183 19203 4247 1 11 . 1 1 40 40 GLY N N 40 101.970 101.970 105.876 -3.906 19203 4248 1 11 . 1 1 40 40 GLY CA C 40 41.520 41.520 45.019 -3.499 19203 4249 1 11 . 1 1 40 40 GLY H H 40 7.172 7.172 7.860 -0.688 19203 4250 1 11 . 1 1 41 41 ASP N N 41 116.412 116.412 121.905 -5.493 19203 4251 1 11 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.787 -0.336 19203 4252 1 11 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.043 0.205 19203 4253 1 11 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.312 -4.926 19203 4254 1 11 . 1 1 41 41 ASP H H 41 7.917 7.917 8.377 -0.460 19203 4255 1 11 . 1 1 42 42 VAL N N 42 128.043 128.043 120.945 7.098 19203 4256 1 11 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.938 0.088 19203 4257 1 11 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.834 -2.010 19203 4258 1 11 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.009 -2.065 19203 4259 1 11 . 1 1 42 42 VAL H H 42 8.366 8.366 8.282 0.084 19203 4260 1 11 . 1 1 43 43 CYS N N 43 122.686 122.686 125.291 -2.605 19203 4261 1 11 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.576 0.203 19203 4262 1 11 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.938 -3.800 19203 4263 1 11 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.474 -2.819 19203 4264 1 11 . 1 1 43 43 CYS H H 43 8.800 8.800 8.772 0.028 19203 4265 1 11 . 1 1 44 44 TYR N N 44 122.582 122.582 122.369 0.213 19203 4266 1 11 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.378 0.058 19203 4267 1 11 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.532 -2.744 19203 4268 1 11 . 1 1 44 44 TYR CB C 44 39.803 39.803 39.352 0.451 19203 4269 1 11 . 1 1 44 44 TYR H H 44 7.420 7.420 7.676 -0.256 19203 4270 1 11 . 1 1 45 45 ALA N N 45 127.108 127.108 127.143 -0.035 19203 4271 1 11 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.141 0.800 19203 4272 1 11 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.678 -3.643 19203 4273 1 11 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.461 -1.222 19203 4274 1 11 . 1 1 45 45 ALA H H 45 7.107 7.107 7.674 -0.567 19203 4275 1 11 . 1 1 46 46 ASP N N 46 117.612 117.612 122.147 -4.535 19203 4276 1 11 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.827 -0.204 19203 4277 1 11 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.919 -3.400 19203 4278 1 11 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.099 -2.306 19203 4279 1 11 . 1 1 46 46 ASP H H 46 8.463 8.463 8.202 0.261 19203 4280 1 11 . 1 1 47 47 VAL N N 47 116.535 116.535 122.250 -5.715 19203 4281 1 11 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.257 -0.011 19203 4282 1 11 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.904 -2.847 19203 4283 1 11 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.430 -2.529 19203 4284 1 11 . 1 1 47 47 VAL H H 47 8.096 8.096 8.515 -0.419 19203 4285 1 11 . 1 1 48 48 TYR N N 48 124.428 124.428 121.390 3.038 19203 4286 1 11 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.982 -0.039 19203 4287 1 11 . 1 1 48 48 TYR CA C 48 53.268 53.268 55.973 -2.705 19203 4288 1 11 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.513 -3.328 19203 4289 1 11 . 1 1 48 48 TYR H H 48 8.673 8.673 7.720 0.953 19203 4290 1 11 . 1 1 49 49 ARG N N 49 117.750 117.750 121.604 -3.854 19203 4291 1 11 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.264 -0.075 19203 4292 1 11 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.926 -1.812 19203 4293 1 11 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.151 -2.441 19203 4294 1 11 . 1 1 49 49 ARG H H 49 8.520 8.520 8.808 -0.288 19203 4295 1 11 . 1 1 50 50 ASP N N 50 117.696 117.696 119.936 -2.240 19203 4296 1 11 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.769 -0.189 19203 4297 1 11 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.247 -3.071 19203 4298 1 11 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.820 -4.915 19203 4299 1 11 . 1 1 50 50 ASP H H 50 7.960 7.960 7.989 -0.029 19203 4300 1 11 . 1 1 51 51 GLY N N 51 108.367 108.367 107.165 1.202 19203 4301 1 11 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.648 -2.085 19203 4302 1 11 . 1 1 51 51 GLY H H 51 8.053 8.053 8.576 -0.523 19203 4303 1 11 . 1 1 52 52 THR N N 52 109.991 109.991 110.247 -0.256 19203 4304 1 11 . 1 1 52 52 THR HA H 52 5.497 5.497 4.912 0.585 19203 4305 1 11 . 1 1 52 52 THR CA C 52 57.040 57.040 59.298 -2.258 19203 4306 1 11 . 1 1 52 52 THR CB C 52 69.847 69.847 72.583 -2.736 19203 4307 1 11 . 1 1 52 52 THR H H 52 7.637 7.637 6.848 0.789 19203 4308 1 11 . 1 1 53 53 GLY N N 53 105.727 105.727 107.300 -1.573 19203 4309 1 11 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.079 -0.781 19203 4310 1 11 . 1 1 53 53 GLY H H 53 8.801 8.801 8.106 0.695 19203 4311 1 11 . 1 1 54 54 VAL N N 54 117.327 117.327 121.379 -4.052 19203 4312 1 11 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.594 0.763 19203 4313 1 11 . 1 1 54 54 VAL CA C 54 56.820 56.820 60.229 -3.409 19203 4314 1 11 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.207 -1.484 19203 4315 1 11 . 1 1 54 54 VAL H H 54 8.585 8.585 7.913 0.672 19203 4316 1 11 . 1 1 55 55 VAL N N 55 120.925 120.925 125.946 -5.021 19203 4317 1 11 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.760 -0.129 19203 4318 1 11 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.206 -2.226 19203 4319 1 11 . 1 1 55 55 VAL CB C 55 32.788 32.788 35.994 -3.206 19203 4320 1 11 . 1 1 55 55 VAL H H 55 8.475 8.475 8.875 -0.400 19203 4321 1 11 . 1 1 56 56 GLU N N 56 123.932 123.932 121.492 2.440 19203 4322 1 11 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.067 -0.069 19203 4323 1 11 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.384 -4.025 19203 4324 1 11 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.953 -4.879 19203 4325 1 11 . 1 1 56 56 GLU H H 56 8.896 8.896 8.837 0.059 19203 4326 1 11 . 1 1 57 57 PHE N N 57 120.441 120.441 121.360 -0.919 19203 4327 1 11 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.847 0.142 19203 4328 1 11 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.668 -1.593 19203 4329 1 11 . 1 1 57 57 PHE CB C 57 39.280 39.280 42.498 -3.218 19203 4330 1 11 . 1 1 57 57 PHE H H 57 8.549 8.549 9.154 -0.605 19203 4331 1 11 . 1 1 58 58 VAL N N 58 125.263 125.263 118.053 7.210 19203 4332 1 11 . 1 1 58 58 VAL HA H 58 3.572 3.572 4.090 -0.518 19203 4333 1 11 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.053 0.340 19203 4334 1 11 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.523 -2.962 19203 4335 1 11 . 1 1 58 58 VAL H H 58 8.123 8.123 8.577 -0.454 19203 4336 1 11 . 1 1 59 59 ARG N N 59 117.434 117.434 117.202 0.232 19203 4337 1 11 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.533 0.180 19203 4338 1 11 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.046 -3.005 19203 4339 1 11 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.270 -3.662 19203 4340 1 11 . 1 1 59 59 ARG H H 59 9.504 9.504 7.609 1.895 19203 4341 1 11 . 1 1 60 60 LYS N N 60 127.390 127.390 122.599 4.791 19203 4342 1 11 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.090 -0.464 19203 4343 1 11 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.396 -1.971 19203 4344 1 11 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.504 -2.864 19203 4345 1 11 . 1 1 60 60 LYS H H 60 8.955 8.955 8.844 0.111 19203 4346 1 11 . 1 1 61 61 GLU N N 61 117.610 117.610 119.238 -1.628 19203 4347 1 11 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.064 -0.091 19203 4348 1 11 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.308 -3.436 19203 4349 1 11 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.122 -3.031 19203 4350 1 11 . 1 1 61 61 GLU H H 61 9.814 9.814 8.862 0.952 19203 4351 1 11 . 1 1 62 62 ASP N N 62 121.439 121.439 120.062 1.377 19203 4352 1 11 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.586 -0.237 19203 4353 1 11 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.488 -4.065 19203 4354 1 11 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.662 -3.392 19203 4355 1 11 . 1 1 62 62 ASP H H 62 6.760 6.760 8.465 -1.705 19203 4356 1 11 . 1 1 63 63 MET N N 63 120.225 120.225 120.342 -0.117 19203 4357 1 11 . 1 1 63 63 MET HA H 63 3.070 3.070 3.412 -0.342 19203 4358 1 11 . 1 1 63 63 MET CA C 63 56.211 56.211 58.705 -2.494 19203 4359 1 11 . 1 1 63 63 MET CB C 63 30.414 30.414 32.129 -1.715 19203 4360 1 11 . 1 1 63 63 MET H H 63 6.863 6.863 7.982 -1.119 19203 4361 1 11 . 1 1 64 64 THR N N 64 113.874 113.874 115.072 -1.198 19203 4362 1 11 . 1 1 64 64 THR HA H 64 3.663 3.663 3.922 -0.259 19203 4363 1 11 . 1 1 64 64 THR CA C 64 63.733 63.733 67.161 -3.428 19203 4364 1 11 . 1 1 64 64 THR CB C 64 65.692 65.692 68.639 -2.947 19203 4365 1 11 . 1 1 64 64 THR H H 64 7.900 7.900 8.394 -0.494 19203 4366 1 11 . 1 1 65 65 TYR N N 65 122.573 122.573 122.718 -0.145 19203 4367 1 11 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.084 -0.079 19203 4368 1 11 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.136 -2.686 19203 4369 1 11 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.169 -2.470 19203 4370 1 11 . 1 1 65 65 TYR H H 65 7.530 7.530 8.338 -0.808 19203 4371 1 11 . 1 1 66 66 ALA N N 66 120.898 120.898 121.796 -0.898 19203 4372 1 11 . 1 1 66 66 ALA HA H 66 3.638 3.638 3.871 -0.233 19203 4373 1 11 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.257 -2.235 19203 4374 1 11 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.058 -1.476 19203 4375 1 11 . 1 1 66 66 ALA H H 66 8.144 8.144 8.142 0.002 19203 4376 1 11 . 1 1 67 67 VAL N N 67 115.474 115.474 116.599 -1.125 19203 4377 1 11 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.687 -0.371 19203 4378 1 11 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.839 -1.190 19203 4379 1 11 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.531 -2.069 19203 4380 1 11 . 1 1 67 67 VAL H H 67 7.602 7.602 7.555 0.047 19203 4381 1 11 . 1 1 68 68 ARG N N 68 116.635 116.635 117.079 -0.444 19203 4382 1 11 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.378 -0.336 19203 4383 1 11 . 1 1 68 68 ARG CA C 68 55.989 55.989 55.708 0.281 19203 4384 1 11 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.247 -2.795 19203 4385 1 11 . 1 1 68 68 ARG H H 68 7.531 7.531 7.685 -0.154 19203 4386 1 11 . 1 1 69 69 LYS N N 69 115.566 115.566 116.664 -1.098 19203 4387 1 11 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.439 -0.218 19203 4388 1 11 . 1 1 69 69 LYS CA C 69 53.569 53.569 55.580 -2.011 19203 4389 1 11 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.014 -3.021 19203 4390 1 11 . 1 1 69 69 LYS H H 69 8.664 8.664 7.974 0.690 19203 4391 1 11 . 1 1 70 70 LEU N N 70 114.943 114.943 119.646 -4.703 19203 4392 1 11 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.701 0.125 19203 4393 1 11 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.451 -3.965 19203 4394 1 11 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.982 -4.717 19203 4395 1 11 . 1 1 70 70 LEU H H 70 8.164 8.164 8.070 0.094 19203 4396 1 11 . 1 1 71 71 ASP N N 71 119.864 119.864 121.639 -1.775 19203 4397 1 11 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.548 -0.156 19203 4398 1 11 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.356 -0.172 19203 4399 1 11 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.337 -2.873 19203 4400 1 11 . 1 1 71 71 ASP H H 71 6.910 6.910 7.669 -0.759 19203 4401 1 11 . 1 1 72 72 ASN N N 72 123.602 123.602 119.472 4.130 19203 4402 1 11 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.591 0.090 19203 4403 1 11 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.246 -2.544 19203 4404 1 11 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.664 -2.604 19203 4405 1 11 . 1 1 72 72 ASN H H 72 9.037 9.037 8.317 0.720 19203 4406 1 11 . 1 1 73 73 THR N N 73 105.063 105.063 109.281 -4.218 19203 4407 1 11 . 1 1 73 73 THR HA H 73 4.674 4.674 4.641 0.033 19203 4408 1 11 . 1 1 73 73 THR CA C 73 57.397 57.397 59.873 -2.476 19203 4409 1 11 . 1 1 73 73 THR CB C 73 70.412 70.412 72.499 -2.087 19203 4410 1 11 . 1 1 73 73 THR H H 73 7.187 7.187 7.853 -0.666 19203 4411 1 11 . 1 1 74 74 LYS N N 74 120.141 120.141 121.559 -1.418 19203 4412 1 11 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.984 -1.328 19203 4413 1 11 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.382 -2.549 19203 4414 1 11 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.323 -4.418 19203 4415 1 11 . 1 1 74 74 LYS H H 74 8.384 8.384 8.502 -0.118 19203 4416 1 11 . 1 1 75 75 PHE N N 75 132.829 132.829 120.554 12.275 19203 4417 1 11 . 1 1 75 75 PHE HA H 75 4.316 4.316 3.673 0.643 19203 4418 1 11 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.421 -3.218 19203 4419 1 11 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.418 -1.962 19203 4420 1 11 . 1 1 75 75 PHE H H 75 9.243 9.243 8.321 0.922 19203 4421 1 11 . 1 1 76 76 ARG N N 76 128.489 128.489 128.273 0.216 19203 4422 1 11 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.541 0.257 19203 4423 1 11 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.138 -4.157 19203 4424 1 11 . 1 1 76 76 ARG CB C 76 30.374 30.374 29.959 0.415 19203 4425 1 11 . 1 1 76 76 ARG H H 76 8.293 8.293 8.132 0.161 19203 4426 1 11 . 1 1 77 77 SER N N 77 120.971 120.971 117.393 3.578 19203 4427 1 11 . 1 1 77 77 SER HA H 77 4.278 4.278 4.644 -0.366 19203 4428 1 11 . 1 1 77 77 SER CA C 77 53.406 53.406 56.305 -2.899 19203 4429 1 11 . 1 1 77 77 SER CB C 77 63.802 63.802 65.194 -1.392 19203 4430 1 11 . 1 1 77 77 SER H H 77 9.107 9.107 8.495 0.612 19203 4431 1 11 . 1 1 78 78 HIS N N 78 118.463 118.463 122.605 -4.142 19203 4432 1 11 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.397 -0.022 19203 4433 1 11 . 1 1 78 78 HIS CA C 78 55.891 55.891 58.714 -2.823 19203 4434 1 11 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.142 -5.903 19203 4435 1 11 . 1 1 78 78 HIS H H 78 9.696 9.696 8.916 0.780 19203 4436 1 11 . 1 1 79 79 GLU N N 79 116.714 116.714 118.872 -2.158 19203 4437 1 11 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.246 0.097 19203 4438 1 11 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.909 -2.969 19203 4439 1 11 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.516 -2.003 19203 4440 1 11 . 1 1 79 79 GLU H H 79 7.053 7.053 8.034 -0.981 19203 4441 1 11 . 1 1 80 80 GLY N N 80 108.106 108.106 108.140 -0.034 19203 4442 1 11 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.688 -3.050 19203 4443 1 11 . 1 1 80 80 GLY H H 80 7.835 7.835 7.776 0.059 19203 4444 1 11 . 1 1 81 81 GLU N N 81 119.017 119.017 118.839 0.178 19203 4445 1 11 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.520 -0.186 19203 4446 1 11 . 1 1 81 81 GLU CA C 81 53.727 53.727 55.502 -1.775 19203 4447 1 11 . 1 1 81 81 GLU CB C 81 29.478 29.478 30.755 -1.277 19203 4448 1 11 . 1 1 81 81 GLU H H 81 7.067 7.067 8.395 -1.328 19203 4449 1 11 . 1 1 82 82 THR N N 82 114.312 114.312 109.668 4.644 19203 4450 1 11 . 1 1 82 82 THR HA H 82 5.771 5.771 5.329 0.442 19203 4451 1 11 . 1 1 82 82 THR CA C 82 56.694 56.694 59.733 -3.038 19203 4452 1 11 . 1 1 82 82 THR CB C 82 69.359 69.359 71.752 -2.393 19203 4453 1 11 . 1 1 82 82 THR H H 82 8.499 8.499 8.260 0.239 19203 4454 1 11 . 1 1 83 83 ALA N N 83 123.125 123.125 123.205 -0.080 19203 4455 1 11 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.933 -0.492 19203 4456 1 11 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.468 -1.371 19203 4457 1 11 . 1 1 83 83 ALA CB C 83 21.499 21.499 22.141 -0.642 19203 4458 1 11 . 1 1 83 83 ALA H H 83 8.674 8.674 8.656 0.018 19203 4459 1 11 . 1 1 84 84 TYR N N 84 120.587 120.587 117.035 3.552 19203 4460 1 11 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.739 -0.766 19203 4461 1 11 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.417 0.483 19203 4462 1 11 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.569 -4.417 19203 4463 1 11 . 1 1 84 84 TYR H H 84 8.708 8.708 8.327 0.381 19203 4464 1 11 . 1 1 85 85 ILE N N 85 116.081 116.081 114.340 1.741 19203 4465 1 11 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.036 -0.184 19203 4466 1 11 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.779 -1.850 19203 4467 1 11 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.609 -4.234 19203 4468 1 11 . 1 1 85 85 ILE H H 85 8.182 8.182 9.066 -0.884 19203 4469 1 11 . 1 1 86 86 ARG N N 86 117.289 117.289 121.240 -3.951 19203 4470 1 11 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.799 0.438 19203 4471 1 11 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.314 -5.167 19203 4472 1 11 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.706 -5.233 19203 4473 1 11 . 1 1 86 86 ARG H H 86 8.250 8.250 8.479 -0.229 19203 4474 1 11 . 1 1 87 87 VAL N N 87 121.679 121.679 124.644 -2.965 19203 4475 1 11 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.886 -0.253 19203 4476 1 11 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.279 -1.640 19203 4477 1 11 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.622 -0.993 19203 4478 1 11 . 1 1 87 87 VAL H H 87 8.983 8.983 8.537 0.446 19203 4479 1 11 . 1 1 88 88 LYS N N 88 123.579 123.579 124.531 -0.952 19203 4480 1 11 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.579 0.174 19203 4481 1 11 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.508 -2.610 19203 4482 1 11 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.226 -1.083 19203 4483 1 11 . 1 1 88 88 LYS H H 88 8.679 8.679 8.198 0.481 19203 4484 1 11 . 1 1 89 89 VAL N N 89 119.787 119.787 121.322 -1.535 19203 4485 1 11 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.117 0.008 19203 4486 1 11 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.573 -1.533 19203 4487 1 11 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.850 -1.509 19203 4488 1 11 . 1 1 89 89 VAL H H 89 8.454 8.454 8.545 -0.091 19203 4489 1 12 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.693 -0.160 19203 4490 1 12 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.456 -3.571 19203 4491 1 12 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.121 -4.499 19203 4492 1 12 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.581 0.245 19203 4493 1 12 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.716 -4.407 19203 4494 1 12 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.275 -4.482 19203 4495 1 12 . 1 1 4 4 ARG N N 4 121.678 121.678 120.486 1.192 19203 4496 1 12 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.574 -0.353 19203 4497 1 12 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.908 -2.333 19203 4498 1 12 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.730 -3.263 19203 4499 1 12 . 1 1 4 4 ARG H H 4 8.483 8.483 8.555 -0.072 19203 4500 1 12 . 1 1 5 5 GLY N N 5 109.928 109.928 114.009 -4.081 19203 4501 1 12 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.394 -2.726 19203 4502 1 12 . 1 1 5 5 GLY H H 5 8.344 8.344 8.576 -0.232 19203 4503 1 12 . 1 1 6 6 ARG N N 6 120.896 120.896 121.327 -0.431 19203 4504 1 12 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.623 -0.481 19203 4505 1 12 . 1 1 6 6 ARG CA C 6 53.519 53.519 54.933 -1.414 19203 4506 1 12 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.180 -2.962 19203 4507 1 12 . 1 1 6 6 ARG H H 6 8.144 8.144 8.355 -0.211 19203 4508 1 12 . 1 1 7 7 TYR N N 7 121.118 121.118 118.765 2.353 19203 4509 1 12 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.593 -0.033 19203 4510 1 12 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.718 -2.913 19203 4511 1 12 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.125 -3.621 19203 4512 1 12 . 1 1 7 7 TYR H H 7 8.218 8.218 8.541 -0.323 19203 4513 1 12 . 1 1 8 8 GLY N N 8 110.613 110.613 111.138 -0.525 19203 4514 1 12 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.152 -2.247 19203 4515 1 12 . 1 1 8 8 GLY H H 8 8.021 8.021 8.180 -0.159 19203 4516 1 12 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.653 -0.086 19203 4517 1 12 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.541 -2.741 19203 4518 1 12 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.215 -2.854 19203 4519 1 12 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.557 -0.193 19203 4520 1 12 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.773 -2.359 19203 4521 1 12 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.313 -0.846 19203 4522 1 12 . 1 1 11 11 SER N N 11 116.042 116.042 118.162 -2.120 19203 4523 1 12 . 1 1 11 11 SER HA H 11 4.394 4.394 4.487 -0.093 19203 4524 1 12 . 1 1 11 11 SER CA C 11 55.641 55.641 58.312 -2.671 19203 4525 1 12 . 1 1 11 11 SER CB C 11 61.349 61.349 64.200 -2.850 19203 4526 1 12 . 1 1 11 11 SER H H 11 8.263 8.263 7.951 0.312 19203 4527 1 12 . 1 1 12 12 ARG N N 12 123.432 123.432 120.828 2.604 19203 4528 1 12 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.477 -0.188 19203 4529 1 12 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.816 -2.505 19203 4530 1 12 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.944 -3.218 19203 4531 1 12 . 1 1 12 12 ARG H H 12 8.317 8.317 8.490 -0.173 19203 4532 1 12 . 1 1 13 13 ARG N N 13 119.550 119.550 120.524 -0.974 19203 4533 1 12 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.373 -1.790 19203 4534 1 12 . 1 1 13 13 ARG H H 13 7.967 7.967 8.599 -0.632 19203 4535 1 12 . 1 1 14 14 SER N N 14 117.366 117.366 114.689 2.677 19203 4536 1 12 . 1 1 14 14 SER HA H 14 4.588 4.588 4.693 -0.105 19203 4537 1 12 . 1 1 14 14 SER CA C 14 54.505 54.505 57.582 -3.077 19203 4538 1 12 . 1 1 14 14 SER CB C 14 63.906 63.906 65.489 -1.583 19203 4539 1 12 . 1 1 14 14 SER H H 14 8.660 8.660 7.722 0.938 19203 4540 1 12 . 1 1 15 15 GLU N N 15 116.212 116.212 120.867 -4.655 19203 4541 1 12 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.245 0.067 19203 4542 1 12 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.827 -3.880 19203 4543 1 12 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.698 -1.591 19203 4544 1 12 . 1 1 15 15 GLU H H 15 8.472 8.472 8.840 -0.368 19203 4545 1 12 . 1 1 16 16 ASN N N 16 120.295 120.295 114.475 5.820 19203 4546 1 12 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.847 0.150 19203 4547 1 12 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.548 -2.617 19203 4548 1 12 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.156 -5.845 19203 4549 1 12 . 1 1 16 16 ASN H H 16 8.326 8.326 7.473 0.853 19203 4550 1 12 . 1 1 17 17 ARG N N 17 123.774 123.774 120.971 2.803 19203 4551 1 12 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.620 0.649 19203 4552 1 12 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.361 -2.521 19203 4553 1 12 . 1 1 17 17 ARG CB C 17 31.422 31.422 32.895 -1.474 19203 4554 1 12 . 1 1 17 17 ARG H H 17 7.726 7.726 7.473 0.253 19203 4555 1 12 . 1 1 18 18 VAL N N 18 117.634 117.634 120.370 -2.736 19203 4556 1 12 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.238 -0.196 19203 4557 1 12 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.522 -3.432 19203 4558 1 12 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.422 -3.676 19203 4559 1 12 . 1 1 18 18 VAL H H 18 9.197 9.197 7.960 1.237 19203 4560 1 12 . 1 1 19 19 VAL N N 19 119.956 119.956 114.497 5.459 19203 4561 1 12 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.680 0.245 19203 4562 1 12 . 1 1 19 19 VAL CA C 19 57.771 57.771 59.285 -1.514 19203 4563 1 12 . 1 1 19 19 VAL CB C 19 31.575 31.575 34.964 -3.389 19203 4564 1 12 . 1 1 19 19 VAL H H 19 9.111 9.111 8.898 0.213 19203 4565 1 12 . 1 1 20 20 VAL N N 20 125.976 125.976 118.788 7.188 19203 4566 1 12 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.116 0.253 19203 4567 1 12 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.073 -3.559 19203 4568 1 12 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.564 -3.517 19203 4569 1 12 . 1 1 20 20 VAL H H 20 8.678 8.678 8.425 0.253 19203 4570 1 12 . 1 1 21 21 SER N N 21 117.905 117.905 116.305 1.600 19203 4571 1 12 . 1 1 21 21 SER HA H 21 5.075 5.075 5.312 -0.237 19203 4572 1 12 . 1 1 21 21 SER CA C 21 54.228 54.228 56.173 -1.945 19203 4573 1 12 . 1 1 21 21 SER CB C 21 63.312 63.312 66.489 -3.176 19203 4574 1 12 . 1 1 21 21 SER H H 21 8.917 8.917 8.868 0.049 19203 4575 1 12 . 1 1 22 22 GLY N N 22 108.144 108.144 107.512 0.632 19203 4576 1 12 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.844 -2.380 19203 4577 1 12 . 1 1 22 22 GLY H H 22 8.079 8.079 8.652 -0.573 19203 4578 1 12 . 1 1 23 23 LEU N N 23 119.379 119.379 122.534 -3.155 19203 4579 1 12 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.091 -0.668 19203 4580 1 12 . 1 1 23 23 LEU CA C 23 50.873 50.873 52.606 -1.733 19203 4581 1 12 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.019 -1.940 19203 4582 1 12 . 1 1 23 23 LEU H H 23 8.485 8.485 7.212 1.273 19203 4583 1 12 . 1 1 24 24 PRO CB C 24 27.899 27.899 31.212 -3.313 19203 4584 1 12 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.412 -0.154 19203 4585 1 12 . 1 1 25 25 PRO CA C 25 62.759 62.759 63.992 -1.234 19203 4586 1 12 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.776 -2.547 19203 4587 1 12 . 1 1 26 26 SER N N 26 106.249 106.249 113.854 -7.605 19203 4588 1 12 . 1 1 26 26 SER HA H 26 4.319 4.319 4.616 -0.297 19203 4589 1 12 . 1 1 26 26 SER CA C 26 55.722 55.722 57.741 -2.019 19203 4590 1 12 . 1 1 26 26 SER CB C 26 61.171 61.171 63.174 -2.003 19203 4591 1 12 . 1 1 26 26 SER H H 26 7.309 7.309 8.041 -0.732 19203 4592 1 12 . 1 1 27 27 GLY N N 27 107.883 107.883 108.451 -0.568 19203 4593 1 12 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.599 -0.396 19203 4594 1 12 . 1 1 27 27 GLY H H 27 8.075 8.075 7.578 0.497 19203 4595 1 12 . 1 1 28 28 SER N N 28 123.917 123.917 119.896 4.021 19203 4596 1 12 . 1 1 28 28 SER HA H 28 4.903 4.903 4.762 0.141 19203 4597 1 12 . 1 1 28 28 SER CA C 28 53.260 53.260 55.815 -2.555 19203 4598 1 12 . 1 1 28 28 SER CB C 28 64.609 64.609 66.124 -1.515 19203 4599 1 12 . 1 1 28 28 SER H H 28 9.021 9.021 8.511 0.510 19203 4600 1 12 . 1 1 29 29 TRP N N 29 120.079 120.079 120.881 -0.802 19203 4601 1 12 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.503 -0.479 19203 4602 1 12 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.544 -1.480 19203 4603 1 12 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.719 -3.497 19203 4604 1 12 . 1 1 29 29 TRP H H 29 9.042 9.042 8.356 0.686 19203 4605 1 12 . 1 1 30 30 GLN N N 30 123.085 123.085 120.907 2.178 19203 4606 1 12 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.020 -0.826 19203 4607 1 12 . 1 1 30 30 GLN CA C 30 56.966 56.966 58.880 -1.914 19203 4608 1 12 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.673 -2.989 19203 4609 1 12 . 1 1 30 30 GLN H H 30 7.587 7.587 7.887 -0.300 19203 4610 1 12 . 1 1 31 31 ASP N N 31 120.127 120.127 119.979 0.148 19203 4611 1 12 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.306 -0.156 19203 4612 1 12 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.979 -2.644 19203 4613 1 12 . 1 1 31 31 ASP CB C 31 39.272 39.272 39.967 -0.695 19203 4614 1 12 . 1 1 31 31 ASP H H 31 7.697 7.697 8.355 -0.658 19203 4615 1 12 . 1 1 32 32 LEU N N 32 122.010 122.010 121.313 0.697 19203 4616 1 12 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.315 -0.110 19203 4617 1 12 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.247 -2.708 19203 4618 1 12 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.645 -2.644 19203 4619 1 12 . 1 1 32 32 LEU H H 32 8.260 8.260 8.279 -0.019 19203 4620 1 12 . 1 1 33 33 LYS N N 33 120.333 120.333 119.373 0.960 19203 4621 1 12 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.052 -0.540 19203 4622 1 12 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.657 -1.172 19203 4623 1 12 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.390 -2.751 19203 4624 1 12 . 1 1 33 33 LYS H H 33 8.506 8.506 8.283 0.223 19203 4625 1 12 . 1 1 34 34 ASP N N 34 117.666 117.666 115.962 1.704 19203 4626 1 12 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.553 -0.270 19203 4627 1 12 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.371 -1.489 19203 4628 1 12 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.043 -3.503 19203 4629 1 12 . 1 1 34 34 ASP H H 34 8.353 8.353 8.235 0.118 19203 4630 1 12 . 1 1 35 35 HIS N N 35 119.654 119.654 118.666 0.988 19203 4631 1 12 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.581 -0.474 19203 4632 1 12 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.258 -0.934 19203 4633 1 12 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.119 -0.854 19203 4634 1 12 . 1 1 35 35 HIS H H 35 7.943 7.943 7.776 0.167 19203 4635 1 12 . 1 1 36 36 MET N N 36 111.628 111.628 120.465 -8.837 19203 4636 1 12 . 1 1 36 36 MET HA H 36 4.572 4.572 4.635 -0.063 19203 4637 1 12 . 1 1 36 36 MET CA C 36 52.172 52.172 56.062 -3.890 19203 4638 1 12 . 1 1 36 36 MET CB C 36 31.060 31.060 31.630 -0.570 19203 4639 1 12 . 1 1 36 36 MET H H 36 7.812 7.812 8.635 -0.823 19203 4640 1 12 . 1 1 37 37 ARG N N 37 119.419 119.419 121.577 -2.158 19203 4641 1 12 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.648 -0.015 19203 4642 1 12 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.180 -0.773 19203 4643 1 12 . 1 1 37 37 ARG CB C 37 27.001 27.001 31.367 -4.366 19203 4644 1 12 . 1 1 37 37 ARG H H 37 7.929 7.929 8.530 -0.601 19203 4645 1 12 . 1 1 38 38 GLU N N 38 118.450 118.450 122.502 -4.052 19203 4646 1 12 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.151 -0.164 19203 4647 1 12 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.876 -3.289 19203 4648 1 12 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.461 -2.004 19203 4649 1 12 . 1 1 38 38 GLU H H 38 7.524 7.524 7.855 -0.331 19203 4650 1 12 . 1 1 39 39 ALA N N 39 118.496 118.496 117.906 0.590 19203 4651 1 12 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.710 -0.731 19203 4652 1 12 . 1 1 39 39 ALA CA C 39 50.226 50.226 53.169 -2.943 19203 4653 1 12 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.735 -2.078 19203 4654 1 12 . 1 1 39 39 ALA H H 39 7.958 7.958 8.277 -0.319 19203 4655 1 12 . 1 1 40 40 GLY N N 40 101.970 101.970 105.073 -3.103 19203 4656 1 12 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.129 -2.609 19203 4657 1 12 . 1 1 40 40 GLY H H 40 7.172 7.172 7.641 -0.469 19203 4658 1 12 . 1 1 41 41 ASP N N 41 116.412 116.412 121.960 -5.548 19203 4659 1 12 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.695 -0.244 19203 4660 1 12 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.982 -1.734 19203 4661 1 12 . 1 1 41 41 ASP CB C 41 38.386 38.386 42.108 -3.722 19203 4662 1 12 . 1 1 41 41 ASP H H 41 7.917 7.917 8.171 -0.254 19203 4663 1 12 . 1 1 42 42 VAL N N 42 128.043 128.043 121.857 6.186 19203 4664 1 12 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.872 0.154 19203 4665 1 12 . 1 1 42 42 VAL CA C 42 58.823 58.823 61.070 -2.247 19203 4666 1 12 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.475 -1.531 19203 4667 1 12 . 1 1 42 42 VAL H H 42 8.366 8.366 8.112 0.254 19203 4668 1 12 . 1 1 43 43 CYS N N 43 122.686 122.686 125.560 -2.874 19203 4669 1 12 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.688 0.091 19203 4670 1 12 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.860 -3.722 19203 4671 1 12 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.552 -2.897 19203 4672 1 12 . 1 1 43 43 CYS H H 43 8.800 8.800 8.565 0.235 19203 4673 1 12 . 1 1 44 44 TYR N N 44 122.582 122.582 120.832 1.750 19203 4674 1 12 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.601 -0.165 19203 4675 1 12 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.199 -2.411 19203 4676 1 12 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.554 -1.751 19203 4677 1 12 . 1 1 44 44 TYR H H 44 7.420 7.420 7.684 -0.264 19203 4678 1 12 . 1 1 45 45 ALA N N 45 127.108 127.108 128.513 -1.405 19203 4679 1 12 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.580 0.361 19203 4680 1 12 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.302 -3.267 19203 4681 1 12 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.052 -1.813 19203 4682 1 12 . 1 1 45 45 ALA H H 45 7.107 7.107 7.948 -0.841 19203 4683 1 12 . 1 1 46 46 ASP N N 46 117.612 117.612 119.792 -2.180 19203 4684 1 12 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.759 -0.136 19203 4685 1 12 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.099 -3.580 19203 4686 1 12 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.454 -2.661 19203 4687 1 12 . 1 1 46 46 ASP H H 46 8.463 8.463 8.403 0.060 19203 4688 1 12 . 1 1 47 47 VAL N N 47 116.535 116.535 117.983 -1.448 19203 4689 1 12 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.091 0.155 19203 4690 1 12 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.794 -2.737 19203 4691 1 12 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.005 -2.104 19203 4692 1 12 . 1 1 47 47 VAL H H 47 8.096 8.096 8.214 -0.118 19203 4693 1 12 . 1 1 48 48 TYR N N 48 124.428 124.428 115.969 8.459 19203 4694 1 12 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.004 -0.061 19203 4695 1 12 . 1 1 48 48 TYR CA C 48 53.268 53.268 57.038 -3.770 19203 4696 1 12 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.869 -3.684 19203 4697 1 12 . 1 1 48 48 TYR H H 48 8.673 8.673 7.327 1.346 19203 4698 1 12 . 1 1 49 49 ARG N N 49 117.750 117.750 119.658 -1.908 19203 4699 1 12 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.921 0.269 19203 4700 1 12 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.285 -3.171 19203 4701 1 12 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.159 -2.449 19203 4702 1 12 . 1 1 49 49 ARG H H 49 8.520 8.520 8.696 -0.176 19203 4703 1 12 . 1 1 50 50 ASP N N 50 117.696 117.696 117.896 -0.200 19203 4704 1 12 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.583 -0.003 19203 4705 1 12 . 1 1 50 50 ASP CA C 50 50.176 50.176 52.844 -2.668 19203 4706 1 12 . 1 1 50 50 ASP CB C 50 37.905 37.905 44.272 -6.367 19203 4707 1 12 . 1 1 50 50 ASP H H 50 7.960 7.960 7.898 0.062 19203 4708 1 12 . 1 1 51 51 GLY N N 51 108.367 108.367 105.801 2.566 19203 4709 1 12 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.495 -2.932 19203 4710 1 12 . 1 1 51 51 GLY H H 51 8.053 8.053 8.238 -0.185 19203 4711 1 12 . 1 1 52 52 THR N N 52 109.991 109.991 112.825 -2.834 19203 4712 1 12 . 1 1 52 52 THR HA H 52 5.497 5.497 5.016 0.481 19203 4713 1 12 . 1 1 52 52 THR CA C 52 57.040 57.040 59.867 -2.826 19203 4714 1 12 . 1 1 52 52 THR CB C 52 69.847 69.847 72.284 -2.437 19203 4715 1 12 . 1 1 52 52 THR H H 52 7.637 7.637 7.512 0.125 19203 4716 1 12 . 1 1 53 53 GLY N N 53 105.727 105.727 106.360 -0.633 19203 4717 1 12 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.839 -1.541 19203 4718 1 12 . 1 1 53 53 GLY H H 53 8.801 8.801 8.297 0.504 19203 4719 1 12 . 1 1 54 54 VAL N N 54 117.327 117.327 120.169 -2.842 19203 4720 1 12 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.615 0.742 19203 4721 1 12 . 1 1 54 54 VAL CA C 54 56.820 56.820 60.556 -3.736 19203 4722 1 12 . 1 1 54 54 VAL CB C 54 33.723 33.723 34.479 -0.756 19203 4723 1 12 . 1 1 54 54 VAL H H 54 8.585 8.585 8.806 -0.221 19203 4724 1 12 . 1 1 55 55 VAL N N 55 120.925 120.925 127.391 -6.466 19203 4725 1 12 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.783 -0.152 19203 4726 1 12 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.022 -2.042 19203 4727 1 12 . 1 1 55 55 VAL CB C 55 32.788 32.788 34.689 -1.901 19203 4728 1 12 . 1 1 55 55 VAL H H 55 8.475 8.475 9.098 -0.623 19203 4729 1 12 . 1 1 56 56 GLU N N 56 123.932 123.932 119.592 4.340 19203 4730 1 12 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.772 0.226 19203 4731 1 12 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.636 -4.277 19203 4732 1 12 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.646 -4.572 19203 4733 1 12 . 1 1 56 56 GLU H H 56 8.896 8.896 8.333 0.563 19203 4734 1 12 . 1 1 57 57 PHE N N 57 120.441 120.441 122.951 -2.510 19203 4735 1 12 . 1 1 57 57 PHE HA H 57 4.989 4.989 5.028 -0.039 19203 4736 1 12 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.028 -1.953 19203 4737 1 12 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.601 -1.321 19203 4738 1 12 . 1 1 57 57 PHE H H 57 8.549 8.549 8.734 -0.185 19203 4739 1 12 . 1 1 58 58 VAL N N 58 125.263 125.263 119.677 5.586 19203 4740 1 12 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.906 -0.334 19203 4741 1 12 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.349 -0.956 19203 4742 1 12 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.249 -2.688 19203 4743 1 12 . 1 1 58 58 VAL H H 58 8.123 8.123 8.323 -0.200 19203 4744 1 12 . 1 1 59 59 ARG N N 59 117.434 117.434 115.923 1.511 19203 4745 1 12 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.592 0.121 19203 4746 1 12 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.879 -2.838 19203 4747 1 12 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.095 -3.487 19203 4748 1 12 . 1 1 59 59 ARG H H 59 9.504 9.504 7.600 1.904 19203 4749 1 12 . 1 1 60 60 LYS N N 60 127.390 127.390 121.923 5.467 19203 4750 1 12 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.075 -0.449 19203 4751 1 12 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.774 -2.349 19203 4752 1 12 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.401 -2.761 19203 4753 1 12 . 1 1 60 60 LYS H H 60 8.955 8.955 8.807 0.148 19203 4754 1 12 . 1 1 61 61 GLU N N 61 117.610 117.610 119.298 -1.688 19203 4755 1 12 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.113 -0.140 19203 4756 1 12 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.709 -2.837 19203 4757 1 12 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.637 -2.546 19203 4758 1 12 . 1 1 61 61 GLU H H 61 9.814 9.814 8.884 0.930 19203 4759 1 12 . 1 1 62 62 ASP N N 62 121.439 121.439 120.420 1.019 19203 4760 1 12 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.547 -0.198 19203 4761 1 12 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.635 -4.212 19203 4762 1 12 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.651 -3.381 19203 4763 1 12 . 1 1 62 62 ASP H H 62 6.760 6.760 8.519 -1.759 19203 4764 1 12 . 1 1 63 63 MET N N 63 120.225 120.225 119.975 0.250 19203 4765 1 12 . 1 1 63 63 MET HA H 63 3.070 3.070 3.540 -0.470 19203 4766 1 12 . 1 1 63 63 MET CA C 63 56.211 56.211 58.651 -2.440 19203 4767 1 12 . 1 1 63 63 MET CB C 63 30.414 30.414 32.093 -1.679 19203 4768 1 12 . 1 1 63 63 MET H H 63 6.863 6.863 8.237 -1.374 19203 4769 1 12 . 1 1 64 64 THR N N 64 113.874 113.874 114.821 -0.947 19203 4770 1 12 . 1 1 64 64 THR HA H 64 3.663 3.663 3.997 -0.334 19203 4771 1 12 . 1 1 64 64 THR CA C 64 63.733 63.733 66.595 -2.862 19203 4772 1 12 . 1 1 64 64 THR CB C 64 65.692 65.692 68.723 -3.031 19203 4773 1 12 . 1 1 64 64 THR H H 64 7.900 7.900 8.297 -0.397 19203 4774 1 12 . 1 1 65 65 TYR N N 65 122.573 122.573 123.923 -1.350 19203 4775 1 12 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.034 -0.029 19203 4776 1 12 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.543 -3.093 19203 4777 1 12 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.227 -2.529 19203 4778 1 12 . 1 1 65 65 TYR H H 65 7.530 7.530 8.516 -0.986 19203 4779 1 12 . 1 1 66 66 ALA N N 66 120.898 120.898 120.616 0.282 19203 4780 1 12 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.080 -0.442 19203 4781 1 12 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.298 -2.276 19203 4782 1 12 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.029 -1.447 19203 4783 1 12 . 1 1 66 66 ALA H H 66 8.144 8.144 8.602 -0.458 19203 4784 1 12 . 1 1 67 67 VAL N N 67 115.474 115.474 116.305 -0.831 19203 4785 1 12 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.798 -0.482 19203 4786 1 12 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.609 -1.960 19203 4787 1 12 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.746 -2.284 19203 4788 1 12 . 1 1 67 67 VAL H H 67 7.602 7.602 7.636 -0.034 19203 4789 1 12 . 1 1 68 68 ARG N N 68 116.635 116.635 115.117 1.518 19203 4790 1 12 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.364 -0.322 19203 4791 1 12 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.786 -0.797 19203 4792 1 12 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.679 -2.227 19203 4793 1 12 . 1 1 68 68 ARG H H 68 7.531 7.531 7.531 -0.000 19203 4794 1 12 . 1 1 69 69 LYS N N 69 115.566 115.566 117.737 -2.171 19203 4795 1 12 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.314 -0.093 19203 4796 1 12 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.525 -2.956 19203 4797 1 12 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.692 -3.699 19203 4798 1 12 . 1 1 69 69 LYS H H 69 8.664 8.664 7.842 0.822 19203 4799 1 12 . 1 1 70 70 LEU N N 70 114.943 114.943 121.205 -6.262 19203 4800 1 12 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.714 0.112 19203 4801 1 12 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.161 -3.675 19203 4802 1 12 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.075 -3.811 19203 4803 1 12 . 1 1 70 70 LEU H H 70 8.164 8.164 8.275 -0.111 19203 4804 1 12 . 1 1 71 71 ASP N N 71 119.864 119.864 119.865 -0.001 19203 4805 1 12 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.637 -0.245 19203 4806 1 12 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.928 0.256 19203 4807 1 12 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.789 -3.326 19203 4808 1 12 . 1 1 71 71 ASP H H 71 6.910 6.910 7.748 -0.838 19203 4809 1 12 . 1 1 72 72 ASN N N 72 123.602 123.602 116.053 7.549 19203 4810 1 12 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.651 0.030 19203 4811 1 12 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.510 -2.808 19203 4812 1 12 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.911 -2.851 19203 4813 1 12 . 1 1 72 72 ASN H H 72 9.037 9.037 8.756 0.281 19203 4814 1 12 . 1 1 73 73 THR N N 73 105.063 105.063 108.791 -3.728 19203 4815 1 12 . 1 1 73 73 THR HA H 73 4.674 4.674 4.440 0.234 19203 4816 1 12 . 1 1 73 73 THR CA C 73 57.397 57.397 62.167 -4.770 19203 4817 1 12 . 1 1 73 73 THR CB C 73 70.412 70.412 70.573 -0.161 19203 4818 1 12 . 1 1 73 73 THR H H 73 7.187 7.187 7.925 -0.738 19203 4819 1 12 . 1 1 74 74 LYS N N 74 120.141 120.141 121.288 -1.147 19203 4820 1 12 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.584 -0.928 19203 4821 1 12 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.434 -3.601 19203 4822 1 12 . 1 1 74 74 LYS CB C 74 29.905 29.905 33.861 -3.955 19203 4823 1 12 . 1 1 74 74 LYS H H 74 8.384 8.384 8.531 -0.147 19203 4824 1 12 . 1 1 75 75 PHE N N 75 132.829 132.829 121.401 11.428 19203 4825 1 12 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.151 0.165 19203 4826 1 12 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.153 -2.950 19203 4827 1 12 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.485 -2.029 19203 4828 1 12 . 1 1 75 75 PHE H H 75 9.243 9.243 8.543 0.700 19203 4829 1 12 . 1 1 76 76 ARG N N 76 128.489 128.489 128.388 0.101 19203 4830 1 12 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.231 0.567 19203 4831 1 12 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.554 -4.573 19203 4832 1 12 . 1 1 76 76 ARG CB C 76 30.374 30.374 29.883 0.492 19203 4833 1 12 . 1 1 76 76 ARG H H 76 8.293 8.293 7.490 0.803 19203 4834 1 12 . 1 1 77 77 SER N N 77 120.971 120.971 118.902 2.069 19203 4835 1 12 . 1 1 77 77 SER HA H 77 4.278 4.278 4.642 -0.364 19203 4836 1 12 . 1 1 77 77 SER CA C 77 53.406 53.406 56.893 -3.487 19203 4837 1 12 . 1 1 77 77 SER CB C 77 63.802 63.802 66.149 -2.347 19203 4838 1 12 . 1 1 77 77 SER H H 77 9.107 9.107 8.324 0.783 19203 4839 1 12 . 1 1 78 78 HIS N N 78 118.463 118.463 119.310 -0.847 19203 4840 1 12 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.540 -0.165 19203 4841 1 12 . 1 1 78 78 HIS CA C 78 55.891 55.891 58.336 -2.445 19203 4842 1 12 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.358 -6.119 19203 4843 1 12 . 1 1 78 78 HIS H H 78 9.696 9.696 8.936 0.760 19203 4844 1 12 . 1 1 79 79 GLU N N 79 116.714 116.714 118.911 -2.197 19203 4845 1 12 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.344 -0.001 19203 4846 1 12 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.126 -3.186 19203 4847 1 12 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.648 -2.135 19203 4848 1 12 . 1 1 79 79 GLU H H 79 7.053 7.053 7.691 -0.638 19203 4849 1 12 . 1 1 80 80 GLY N N 80 108.106 108.106 106.997 1.109 19203 4850 1 12 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.380 -2.743 19203 4851 1 12 . 1 1 80 80 GLY H H 80 7.835 7.835 8.281 -0.446 19203 4852 1 12 . 1 1 81 81 GLU N N 81 119.017 119.017 118.375 0.642 19203 4853 1 12 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.927 -0.593 19203 4854 1 12 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.660 -0.933 19203 4855 1 12 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.113 -1.635 19203 4856 1 12 . 1 1 81 81 GLU H H 81 7.067 7.067 7.875 -0.808 19203 4857 1 12 . 1 1 82 82 THR N N 82 114.312 114.312 110.504 3.808 19203 4858 1 12 . 1 1 82 82 THR HA H 82 5.771 5.771 5.154 0.617 19203 4859 1 12 . 1 1 82 82 THR CA C 82 56.694 56.694 60.250 -3.556 19203 4860 1 12 . 1 1 82 82 THR CB C 82 69.359 69.359 72.607 -3.248 19203 4861 1 12 . 1 1 82 82 THR H H 82 8.499 8.499 8.203 0.296 19203 4862 1 12 . 1 1 83 83 ALA N N 83 123.125 123.125 125.930 -2.805 19203 4863 1 12 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.768 -0.327 19203 4864 1 12 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.753 -1.656 19203 4865 1 12 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.250 0.249 19203 4866 1 12 . 1 1 83 83 ALA H H 83 8.674 8.674 8.766 -0.092 19203 4867 1 12 . 1 1 84 84 TYR N N 84 120.587 120.587 115.688 4.899 19203 4868 1 12 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.651 -0.678 19203 4869 1 12 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.699 0.202 19203 4870 1 12 . 1 1 84 84 TYR CB C 84 36.152 36.152 41.489 -5.338 19203 4871 1 12 . 1 1 84 84 TYR H H 84 8.708 8.708 8.249 0.459 19203 4872 1 12 . 1 1 85 85 ILE N N 85 116.081 116.081 113.344 2.737 19203 4873 1 12 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.078 -0.226 19203 4874 1 12 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.773 -1.844 19203 4875 1 12 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.683 -4.308 19203 4876 1 12 . 1 1 85 85 ILE H H 85 8.182 8.182 9.194 -1.012 19203 4877 1 12 . 1 1 86 86 ARG N N 86 117.289 117.289 119.727 -2.438 19203 4878 1 12 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.856 0.381 19203 4879 1 12 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.371 -5.224 19203 4880 1 12 . 1 1 86 86 ARG CB C 86 27.473 27.473 33.488 -6.015 19203 4881 1 12 . 1 1 86 86 ARG H H 86 8.250 8.250 8.645 -0.395 19203 4882 1 12 . 1 1 87 87 VAL N N 87 121.679 121.679 123.882 -2.203 19203 4883 1 12 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.950 -0.317 19203 4884 1 12 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.461 -1.822 19203 4885 1 12 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.352 -1.722 19203 4886 1 12 . 1 1 87 87 VAL H H 87 8.983 8.983 8.507 0.476 19203 4887 1 12 . 1 1 88 88 LYS N N 88 123.579 123.579 125.651 -2.072 19203 4888 1 12 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.585 0.168 19203 4889 1 12 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.199 -2.301 19203 4890 1 12 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.675 -1.532 19203 4891 1 12 . 1 1 88 88 LYS H H 88 8.679 8.679 8.985 -0.306 19203 4892 1 12 . 1 1 89 89 VAL N N 89 119.787 119.787 120.991 -1.204 19203 4893 1 12 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.045 0.080 19203 4894 1 12 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.994 -1.954 19203 4895 1 12 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.105 -0.764 19203 4896 1 12 . 1 1 89 89 VAL H H 89 8.454 8.454 8.508 -0.054 19203 4897 1 13 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.720 -0.187 19203 4898 1 13 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.340 -3.455 19203 4899 1 13 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.397 -3.775 19203 4900 1 13 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.673 0.153 19203 4901 1 13 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.730 -4.421 19203 4902 1 13 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.573 -4.781 19203 4903 1 13 . 1 1 4 4 ARG N N 4 121.678 121.678 117.104 4.574 19203 4904 1 13 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.482 -0.261 19203 4905 1 13 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.873 -2.298 19203 4906 1 13 . 1 1 4 4 ARG CB C 4 28.467 28.467 32.967 -4.500 19203 4907 1 13 . 1 1 4 4 ARG H H 4 8.483 8.483 8.423 0.060 19203 4908 1 13 . 1 1 5 5 GLY N N 5 109.928 109.928 108.530 1.398 19203 4909 1 13 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.992 -3.324 19203 4910 1 13 . 1 1 5 5 GLY H H 5 8.344 8.344 8.529 -0.185 19203 4911 1 13 . 1 1 6 6 ARG N N 6 120.896 120.896 117.713 3.183 19203 4912 1 13 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.740 -0.598 19203 4913 1 13 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.710 -2.191 19203 4914 1 13 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.674 -3.456 19203 4915 1 13 . 1 1 6 6 ARG H H 6 8.144 8.144 8.148 -0.004 19203 4916 1 13 . 1 1 7 7 TYR N N 7 121.118 121.118 121.944 -0.826 19203 4917 1 13 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.659 -0.099 19203 4918 1 13 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.282 -3.477 19203 4919 1 13 . 1 1 7 7 TYR CB C 7 36.504 36.504 41.092 -4.588 19203 4920 1 13 . 1 1 7 7 TYR H H 7 8.218 8.218 8.736 -0.518 19203 4921 1 13 . 1 1 8 8 GLY N N 8 110.613 110.613 111.049 -0.436 19203 4922 1 13 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.947 -3.042 19203 4923 1 13 . 1 1 8 8 GLY H H 8 8.021 8.021 7.259 0.762 19203 4924 1 13 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.694 -0.127 19203 4925 1 13 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.578 -2.778 19203 4926 1 13 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.827 -3.466 19203 4927 1 13 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.488 -0.124 19203 4928 1 13 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.830 -2.416 19203 4929 1 13 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.361 -0.894 19203 4930 1 13 . 1 1 11 11 SER N N 11 116.042 116.042 117.810 -1.768 19203 4931 1 13 . 1 1 11 11 SER HA H 11 4.394 4.394 4.758 -0.364 19203 4932 1 13 . 1 1 11 11 SER CA C 11 55.641 55.641 57.686 -2.045 19203 4933 1 13 . 1 1 11 11 SER CB C 11 61.349 61.349 65.900 -4.551 19203 4934 1 13 . 1 1 11 11 SER H H 11 8.263 8.263 8.260 0.003 19203 4935 1 13 . 1 1 12 12 ARG N N 12 123.432 123.432 120.438 2.994 19203 4936 1 13 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.884 -0.595 19203 4937 1 13 . 1 1 12 12 ARG CA C 12 53.311 53.311 54.892 -1.581 19203 4938 1 13 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.902 -3.176 19203 4939 1 13 . 1 1 12 12 ARG H H 12 8.317 8.317 8.474 -0.157 19203 4940 1 13 . 1 1 13 13 ARG N N 13 119.550 119.550 120.484 -0.934 19203 4941 1 13 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.368 -2.785 19203 4942 1 13 . 1 1 13 13 ARG H H 13 7.967 7.967 8.738 -0.771 19203 4943 1 13 . 1 1 14 14 SER N N 14 117.366 117.366 113.155 4.211 19203 4944 1 13 . 1 1 14 14 SER HA H 14 4.588 4.588 4.678 -0.090 19203 4945 1 13 . 1 1 14 14 SER CA C 14 54.505 54.505 57.351 -2.846 19203 4946 1 13 . 1 1 14 14 SER CB C 14 63.906 63.906 65.326 -1.420 19203 4947 1 13 . 1 1 14 14 SER H H 14 8.660 8.660 7.976 0.684 19203 4948 1 13 . 1 1 15 15 GLU N N 15 116.212 116.212 119.957 -3.745 19203 4949 1 13 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.195 0.117 19203 4950 1 13 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.012 -4.065 19203 4951 1 13 . 1 1 15 15 GLU CB C 15 27.107 27.107 29.353 -2.246 19203 4952 1 13 . 1 1 15 15 GLU H H 15 8.472 8.472 8.662 -0.190 19203 4953 1 13 . 1 1 16 16 ASN N N 16 120.295 120.295 116.620 3.675 19203 4954 1 13 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.944 0.053 19203 4955 1 13 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.263 -2.332 19203 4956 1 13 . 1 1 16 16 ASN CB C 16 34.311 34.311 39.253 -4.942 19203 4957 1 13 . 1 1 16 16 ASN H H 16 8.326 8.326 8.043 0.283 19203 4958 1 13 . 1 1 17 17 ARG N N 17 123.774 123.774 121.721 2.053 19203 4959 1 13 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.982 0.287 19203 4960 1 13 . 1 1 17 17 ARG CA C 17 52.840 52.840 54.979 -2.139 19203 4961 1 13 . 1 1 17 17 ARG CB C 17 31.422 31.422 34.006 -2.584 19203 4962 1 13 . 1 1 17 17 ARG H H 17 7.726 7.726 7.706 0.020 19203 4963 1 13 . 1 1 18 18 VAL N N 18 117.634 117.634 119.432 -1.798 19203 4964 1 13 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.119 -0.077 19203 4965 1 13 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.340 -3.250 19203 4966 1 13 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.500 -3.754 19203 4967 1 13 . 1 1 18 18 VAL H H 18 9.197 9.197 8.835 0.362 19203 4968 1 13 . 1 1 19 19 VAL N N 19 119.956 119.956 119.084 0.872 19203 4969 1 13 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.804 0.121 19203 4970 1 13 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.821 -3.050 19203 4971 1 13 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.620 -4.045 19203 4972 1 13 . 1 1 19 19 VAL H H 19 9.111 9.111 8.787 0.324 19203 4973 1 13 . 1 1 20 20 VAL N N 20 125.976 125.976 125.099 0.877 19203 4974 1 13 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.145 0.224 19203 4975 1 13 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.290 -3.776 19203 4976 1 13 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.922 -2.876 19203 4977 1 13 . 1 1 20 20 VAL H H 20 8.678 8.678 8.864 -0.186 19203 4978 1 13 . 1 1 21 21 SER N N 21 117.905 117.905 117.452 0.453 19203 4979 1 13 . 1 1 21 21 SER HA H 21 5.075 5.075 5.136 -0.061 19203 4980 1 13 . 1 1 21 21 SER CA C 21 54.228 54.228 56.583 -2.355 19203 4981 1 13 . 1 1 21 21 SER CB C 21 63.312 63.312 66.341 -3.030 19203 4982 1 13 . 1 1 21 21 SER H H 21 8.917 8.917 8.811 0.106 19203 4983 1 13 . 1 1 22 22 GLY N N 22 108.144 108.144 109.412 -1.268 19203 4984 1 13 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.413 -2.948 19203 4985 1 13 . 1 1 22 22 GLY H H 22 8.079 8.079 8.635 -0.556 19203 4986 1 13 . 1 1 23 23 LEU N N 23 119.379 119.379 121.252 -1.873 19203 4987 1 13 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.009 -0.586 19203 4988 1 13 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.820 -2.947 19203 4989 1 13 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.370 -3.292 19203 4990 1 13 . 1 1 23 23 LEU H H 23 8.485 8.485 7.217 1.268 19203 4991 1 13 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.943 -3.044 19203 4992 1 13 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.338 -0.080 19203 4993 1 13 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.581 -1.822 19203 4994 1 13 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.745 -2.517 19203 4995 1 13 . 1 1 26 26 SER N N 26 106.249 106.249 112.466 -6.217 19203 4996 1 13 . 1 1 26 26 SER HA H 26 4.319 4.319 4.528 -0.209 19203 4997 1 13 . 1 1 26 26 SER CA C 26 55.722 55.722 57.767 -2.045 19203 4998 1 13 . 1 1 26 26 SER CB C 26 61.171 61.171 63.795 -2.624 19203 4999 1 13 . 1 1 26 26 SER H H 26 7.309 7.309 7.512 -0.203 19203 5000 1 13 . 1 1 27 27 GLY N N 27 107.883 107.883 111.043 -3.160 19203 5001 1 13 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.669 -0.466 19203 5002 1 13 . 1 1 27 27 GLY H H 27 8.075 8.075 7.531 0.544 19203 5003 1 13 . 1 1 28 28 SER N N 28 123.917 123.917 120.706 3.211 19203 5004 1 13 . 1 1 28 28 SER HA H 28 4.903 4.903 4.691 0.212 19203 5005 1 13 . 1 1 28 28 SER CA C 28 53.260 53.260 56.849 -3.589 19203 5006 1 13 . 1 1 28 28 SER CB C 28 64.609 64.609 65.904 -1.295 19203 5007 1 13 . 1 1 28 28 SER H H 28 9.021 9.021 8.024 0.997 19203 5008 1 13 . 1 1 29 29 TRP N N 29 120.079 120.079 120.375 -0.296 19203 5009 1 13 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.417 -0.393 19203 5010 1 13 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.327 -2.263 19203 5011 1 13 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.337 -3.115 19203 5012 1 13 . 1 1 29 29 TRP H H 29 9.042 9.042 8.594 0.448 19203 5013 1 13 . 1 1 30 30 GLN N N 30 123.085 123.085 120.321 2.764 19203 5014 1 13 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.193 -0.999 19203 5015 1 13 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.290 -2.324 19203 5016 1 13 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.364 -2.680 19203 5017 1 13 . 1 1 30 30 GLN H H 30 7.587 7.587 7.676 -0.089 19203 5018 1 13 . 1 1 31 31 ASP N N 31 120.127 120.127 120.498 -0.371 19203 5019 1 13 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.430 -0.280 19203 5020 1 13 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.223 -2.888 19203 5021 1 13 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.398 -1.126 19203 5022 1 13 . 1 1 31 31 ASP H H 31 7.697 7.697 7.940 -0.243 19203 5023 1 13 . 1 1 32 32 LEU N N 32 122.010 122.010 121.927 0.083 19203 5024 1 13 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.411 -0.206 19203 5025 1 13 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.424 -2.885 19203 5026 1 13 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.421 -2.420 19203 5027 1 13 . 1 1 32 32 LEU H H 32 8.260 8.260 8.352 -0.092 19203 5028 1 13 . 1 1 33 33 LYS N N 33 120.333 120.333 118.851 1.482 19203 5029 1 13 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.136 -0.624 19203 5030 1 13 . 1 1 33 33 LYS CA C 33 58.485 58.485 58.863 -0.378 19203 5031 1 13 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.255 -2.616 19203 5032 1 13 . 1 1 33 33 LYS H H 33 8.506 8.506 8.522 -0.016 19203 5033 1 13 . 1 1 34 34 ASP N N 34 117.666 117.666 116.447 1.219 19203 5034 1 13 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.593 -0.310 19203 5035 1 13 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.633 -1.751 19203 5036 1 13 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.584 -4.044 19203 5037 1 13 . 1 1 34 34 ASP H H 34 8.353 8.353 8.215 0.138 19203 5038 1 13 . 1 1 35 35 HIS N N 35 119.654 119.654 120.763 -1.109 19203 5039 1 13 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.594 -0.487 19203 5040 1 13 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.059 -0.735 19203 5041 1 13 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.121 -0.856 19203 5042 1 13 . 1 1 35 35 HIS H H 35 7.943 7.943 8.220 -0.277 19203 5043 1 13 . 1 1 36 36 MET N N 36 111.628 111.628 120.781 -9.153 19203 5044 1 13 . 1 1 36 36 MET HA H 36 4.572 4.572 4.197 0.375 19203 5045 1 13 . 1 1 36 36 MET CA C 36 52.172 52.172 55.515 -3.343 19203 5046 1 13 . 1 1 36 36 MET CB C 36 31.060 31.060 32.256 -1.196 19203 5047 1 13 . 1 1 36 36 MET H H 36 7.812 7.812 8.359 -0.547 19203 5048 1 13 . 1 1 37 37 ARG N N 37 119.419 119.419 117.121 2.298 19203 5049 1 13 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.595 0.038 19203 5050 1 13 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.449 -1.042 19203 5051 1 13 . 1 1 37 37 ARG CB C 37 27.001 27.001 30.777 -3.776 19203 5052 1 13 . 1 1 37 37 ARG H H 37 7.929 7.929 8.048 -0.119 19203 5053 1 13 . 1 1 38 38 GLU N N 38 118.450 118.450 122.593 -4.143 19203 5054 1 13 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.241 -0.254 19203 5055 1 13 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.097 -2.510 19203 5056 1 13 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.765 -2.308 19203 5057 1 13 . 1 1 38 38 GLU H H 38 7.524 7.524 8.307 -0.783 19203 5058 1 13 . 1 1 39 39 ALA N N 39 118.496 118.496 119.996 -1.500 19203 5059 1 13 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.550 -0.571 19203 5060 1 13 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.967 -1.740 19203 5061 1 13 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.730 -2.074 19203 5062 1 13 . 1 1 39 39 ALA H H 39 7.958 7.958 8.071 -0.113 19203 5063 1 13 . 1 1 40 40 GLY N N 40 101.970 101.970 104.293 -2.323 19203 5064 1 13 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.289 -2.769 19203 5065 1 13 . 1 1 40 40 GLY H H 40 7.172 7.172 7.361 -0.189 19203 5066 1 13 . 1 1 41 41 ASP N N 41 116.412 116.412 119.375 -2.963 19203 5067 1 13 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.864 -0.413 19203 5068 1 13 . 1 1 41 41 ASP CA C 41 53.248 53.248 52.737 0.511 19203 5069 1 13 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.796 -5.410 19203 5070 1 13 . 1 1 41 41 ASP H H 41 7.917 7.917 8.601 -0.684 19203 5071 1 13 . 1 1 42 42 VAL N N 42 128.043 128.043 120.316 7.727 19203 5072 1 13 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.922 0.104 19203 5073 1 13 . 1 1 42 42 VAL CA C 42 58.823 58.823 61.352 -2.529 19203 5074 1 13 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.833 -2.889 19203 5075 1 13 . 1 1 42 42 VAL H H 42 8.366 8.366 7.873 0.493 19203 5076 1 13 . 1 1 43 43 CYS N N 43 122.686 122.686 122.011 0.675 19203 5077 1 13 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.590 0.189 19203 5078 1 13 . 1 1 43 43 CYS CA C 43 54.138 54.138 58.544 -4.407 19203 5079 1 13 . 1 1 43 43 CYS CB C 43 26.655 26.655 30.076 -3.421 19203 5080 1 13 . 1 1 43 43 CYS H H 43 8.800 8.800 8.889 -0.089 19203 5081 1 13 . 1 1 44 44 TYR N N 44 122.582 122.582 121.895 0.687 19203 5082 1 13 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.469 -0.033 19203 5083 1 13 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.530 -2.742 19203 5084 1 13 . 1 1 44 44 TYR CB C 44 39.803 39.803 40.066 -0.263 19203 5085 1 13 . 1 1 44 44 TYR H H 44 7.420 7.420 7.788 -0.368 19203 5086 1 13 . 1 1 45 45 ALA N N 45 127.108 127.108 128.446 -1.338 19203 5087 1 13 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.565 0.376 19203 5088 1 13 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.136 -3.101 19203 5089 1 13 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.660 -1.421 19203 5090 1 13 . 1 1 45 45 ALA H H 45 7.107 7.107 7.756 -0.649 19203 5091 1 13 . 1 1 46 46 ASP N N 46 117.612 117.612 123.291 -5.679 19203 5092 1 13 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.703 -0.080 19203 5093 1 13 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.094 -3.575 19203 5094 1 13 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.799 -3.006 19203 5095 1 13 . 1 1 46 46 ASP H H 46 8.463 8.463 8.491 -0.028 19203 5096 1 13 . 1 1 47 47 VAL N N 47 116.535 116.535 122.074 -5.539 19203 5097 1 13 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.009 0.237 19203 5098 1 13 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.004 -2.947 19203 5099 1 13 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.119 -2.218 19203 5100 1 13 . 1 1 47 47 VAL H H 47 8.096 8.096 8.401 -0.305 19203 5101 1 13 . 1 1 48 48 TYR N N 48 124.428 124.428 121.895 2.533 19203 5102 1 13 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.028 -0.085 19203 5103 1 13 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.257 -2.989 19203 5104 1 13 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.818 -3.633 19203 5105 1 13 . 1 1 48 48 TYR H H 48 8.673 8.673 7.729 0.944 19203 5106 1 13 . 1 1 49 49 ARG N N 49 117.750 117.750 119.970 -2.220 19203 5107 1 13 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.941 0.248 19203 5108 1 13 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.764 -3.650 19203 5109 1 13 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.925 -3.215 19203 5110 1 13 . 1 1 49 49 ARG H H 49 8.520 8.520 8.964 -0.444 19203 5111 1 13 . 1 1 50 50 ASP N N 50 117.696 117.696 117.376 0.320 19203 5112 1 13 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.605 -0.025 19203 5113 1 13 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.534 -3.358 19203 5114 1 13 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.584 -4.679 19203 5115 1 13 . 1 1 50 50 ASP H H 50 7.960 7.960 7.778 0.182 19203 5116 1 13 . 1 1 51 51 GLY N N 51 108.367 108.367 104.971 3.396 19203 5117 1 13 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.438 -2.875 19203 5118 1 13 . 1 1 51 51 GLY H H 51 8.053 8.053 8.875 -0.822 19203 5119 1 13 . 1 1 52 52 THR N N 52 109.991 109.991 110.941 -0.950 19203 5120 1 13 . 1 1 52 52 THR HA H 52 5.497 5.497 5.131 0.366 19203 5121 1 13 . 1 1 52 52 THR CA C 52 57.040 57.040 60.352 -3.312 19203 5122 1 13 . 1 1 52 52 THR CB C 52 69.847 69.847 72.746 -2.899 19203 5123 1 13 . 1 1 52 52 THR H H 52 7.637 7.637 7.088 0.549 19203 5124 1 13 . 1 1 53 53 GLY N N 53 105.727 105.727 106.400 -0.673 19203 5125 1 13 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.781 -1.483 19203 5126 1 13 . 1 1 53 53 GLY H H 53 8.801 8.801 8.275 0.526 19203 5127 1 13 . 1 1 54 54 VAL N N 54 117.327 117.327 119.766 -2.439 19203 5128 1 13 . 1 1 54 54 VAL HA H 54 5.357 5.357 5.149 0.208 19203 5129 1 13 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.408 -2.588 19203 5130 1 13 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.128 -1.405 19203 5131 1 13 . 1 1 54 54 VAL H H 54 8.585 8.585 8.947 -0.362 19203 5132 1 13 . 1 1 55 55 VAL N N 55 120.925 120.925 124.338 -3.413 19203 5133 1 13 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.771 -0.140 19203 5134 1 13 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.967 -2.987 19203 5135 1 13 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.605 -3.817 19203 5136 1 13 . 1 1 55 55 VAL H H 55 8.475 8.475 8.915 -0.440 19203 5137 1 13 . 1 1 56 56 GLU N N 56 123.932 123.932 121.867 2.065 19203 5138 1 13 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.977 0.021 19203 5139 1 13 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.191 -3.832 19203 5140 1 13 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.599 -4.525 19203 5141 1 13 . 1 1 56 56 GLU H H 56 8.896 8.896 8.598 0.298 19203 5142 1 13 . 1 1 57 57 PHE N N 57 120.441 120.441 123.712 -3.271 19203 5143 1 13 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.916 0.073 19203 5144 1 13 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.804 -1.729 19203 5145 1 13 . 1 1 57 57 PHE CB C 57 39.280 39.280 41.430 -2.150 19203 5146 1 13 . 1 1 57 57 PHE H H 57 8.549 8.549 9.087 -0.538 19203 5147 1 13 . 1 1 58 58 VAL N N 58 125.263 125.263 117.544 7.719 19203 5148 1 13 . 1 1 58 58 VAL HA H 58 3.572 3.572 4.046 -0.474 19203 5149 1 13 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.201 0.192 19203 5150 1 13 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.305 -2.744 19203 5151 1 13 . 1 1 58 58 VAL H H 58 8.123 8.123 8.054 0.069 19203 5152 1 13 . 1 1 59 59 ARG N N 59 117.434 117.434 117.821 -0.387 19203 5153 1 13 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.758 -0.045 19203 5154 1 13 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.246 -3.205 19203 5155 1 13 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.082 -3.474 19203 5156 1 13 . 1 1 59 59 ARG H H 59 9.504 9.504 7.636 1.868 19203 5157 1 13 . 1 1 60 60 LYS N N 60 127.390 127.390 123.679 3.711 19203 5158 1 13 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.031 -0.405 19203 5159 1 13 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.430 -2.005 19203 5160 1 13 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.451 -2.811 19203 5161 1 13 . 1 1 60 60 LYS H H 60 8.955 8.955 8.903 0.052 19203 5162 1 13 . 1 1 61 61 GLU N N 61 117.610 117.610 119.386 -1.776 19203 5163 1 13 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.109 -0.136 19203 5164 1 13 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.340 -3.468 19203 5165 1 13 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.112 -3.021 19203 5166 1 13 . 1 1 61 61 GLU H H 61 9.814 9.814 8.803 1.011 19203 5167 1 13 . 1 1 62 62 ASP N N 62 121.439 121.439 120.373 1.066 19203 5168 1 13 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.450 -0.101 19203 5169 1 13 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.503 -4.080 19203 5170 1 13 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.475 -3.205 19203 5171 1 13 . 1 1 62 62 ASP H H 62 6.760 6.760 8.453 -1.693 19203 5172 1 13 . 1 1 63 63 MET N N 63 120.225 120.225 118.768 1.457 19203 5173 1 13 . 1 1 63 63 MET HA H 63 3.070 3.070 3.276 -0.206 19203 5174 1 13 . 1 1 63 63 MET CA C 63 56.211 56.211 58.908 -2.697 19203 5175 1 13 . 1 1 63 63 MET CB C 63 30.414 30.414 32.657 -2.243 19203 5176 1 13 . 1 1 63 63 MET H H 63 6.863 6.863 8.191 -1.328 19203 5177 1 13 . 1 1 64 64 THR N N 64 113.874 113.874 114.963 -1.089 19203 5178 1 13 . 1 1 64 64 THR HA H 64 3.663 3.663 3.881 -0.218 19203 5179 1 13 . 1 1 64 64 THR CA C 64 63.733 63.733 66.753 -3.020 19203 5180 1 13 . 1 1 64 64 THR CB C 64 65.692 65.692 68.580 -2.888 19203 5181 1 13 . 1 1 64 64 THR H H 64 7.900 7.900 8.303 -0.403 19203 5182 1 13 . 1 1 65 65 TYR N N 65 122.573 122.573 122.831 -0.258 19203 5183 1 13 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.038 -0.033 19203 5184 1 13 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.957 -3.507 19203 5185 1 13 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.170 -2.472 19203 5186 1 13 . 1 1 65 65 TYR H H 65 7.530 7.530 8.443 -0.913 19203 5187 1 13 . 1 1 66 66 ALA N N 66 120.898 120.898 120.734 0.164 19203 5188 1 13 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.158 -0.520 19203 5189 1 13 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.182 -2.160 19203 5190 1 13 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.012 -1.430 19203 5191 1 13 . 1 1 66 66 ALA H H 66 8.144 8.144 7.847 0.297 19203 5192 1 13 . 1 1 67 67 VAL N N 67 115.474 115.474 116.168 -0.694 19203 5193 1 13 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.834 -0.518 19203 5194 1 13 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.882 -1.233 19203 5195 1 13 . 1 1 67 67 VAL CB C 67 29.462 29.462 30.933 -1.471 19203 5196 1 13 . 1 1 67 67 VAL H H 67 7.602 7.602 7.749 -0.147 19203 5197 1 13 . 1 1 68 68 ARG N N 68 116.635 116.635 118.382 -1.747 19203 5198 1 13 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.299 -0.257 19203 5199 1 13 . 1 1 68 68 ARG CA C 68 55.989 55.989 57.267 -1.278 19203 5200 1 13 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.178 -2.726 19203 5201 1 13 . 1 1 68 68 ARG H H 68 7.531 7.531 7.768 -0.237 19203 5202 1 13 . 1 1 69 69 LYS N N 69 115.566 115.566 116.801 -1.235 19203 5203 1 13 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.399 -0.178 19203 5204 1 13 . 1 1 69 69 LYS CA C 69 53.569 53.569 57.023 -3.454 19203 5205 1 13 . 1 1 69 69 LYS CB C 69 30.993 30.993 33.244 -2.251 19203 5206 1 13 . 1 1 69 69 LYS H H 69 8.664 8.664 8.284 0.380 19203 5207 1 13 . 1 1 70 70 LEU N N 70 114.943 114.943 120.017 -5.074 19203 5208 1 13 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.600 0.226 19203 5209 1 13 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.716 -3.230 19203 5210 1 13 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.952 -3.687 19203 5211 1 13 . 1 1 70 70 LEU H H 70 8.164 8.164 7.869 0.295 19203 5212 1 13 . 1 1 71 71 ASP N N 71 119.864 119.864 118.943 0.921 19203 5213 1 13 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.618 -0.226 19203 5214 1 13 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.894 0.290 19203 5215 1 13 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.201 -2.738 19203 5216 1 13 . 1 1 71 71 ASP H H 71 6.910 6.910 7.833 -0.923 19203 5217 1 13 . 1 1 72 72 ASN N N 72 123.602 123.602 118.438 5.164 19203 5218 1 13 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.706 -0.025 19203 5219 1 13 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.603 -2.901 19203 5220 1 13 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.254 -3.194 19203 5221 1 13 . 1 1 72 72 ASN H H 72 9.037 9.037 8.551 0.486 19203 5222 1 13 . 1 1 73 73 THR N N 73 105.063 105.063 109.101 -4.038 19203 5223 1 13 . 1 1 73 73 THR HA H 73 4.674 4.674 4.656 0.018 19203 5224 1 13 . 1 1 73 73 THR CA C 73 57.397 57.397 60.999 -3.602 19203 5225 1 13 . 1 1 73 73 THR CB C 73 70.412 70.412 70.855 -0.443 19203 5226 1 13 . 1 1 73 73 THR H H 73 7.187 7.187 7.748 -0.561 19203 5227 1 13 . 1 1 74 74 LYS N N 74 120.141 120.141 120.789 -0.648 19203 5228 1 13 . 1 1 74 74 LYS HA H 74 3.656 3.656 5.068 -1.412 19203 5229 1 13 . 1 1 74 74 LYS CA C 74 53.833 53.833 55.113 -1.280 19203 5230 1 13 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.873 -4.968 19203 5231 1 13 . 1 1 74 74 LYS H H 74 8.384 8.384 8.451 -0.067 19203 5232 1 13 . 1 1 75 75 PHE N N 75 132.829 132.829 122.143 10.686 19203 5233 1 13 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.472 -0.156 19203 5234 1 13 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.117 -2.914 19203 5235 1 13 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.954 -2.498 19203 5236 1 13 . 1 1 75 75 PHE H H 75 9.243 9.243 8.840 0.403 19203 5237 1 13 . 1 1 76 76 ARG N N 76 128.489 128.489 126.010 2.479 19203 5238 1 13 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.772 0.026 19203 5239 1 13 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.520 -3.539 19203 5240 1 13 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.698 -1.324 19203 5241 1 13 . 1 1 76 76 ARG H H 76 8.293 8.293 7.734 0.559 19203 5242 1 13 . 1 1 77 77 SER N N 77 120.971 120.971 119.089 1.882 19203 5243 1 13 . 1 1 77 77 SER HA H 77 4.278 4.278 4.439 -0.161 19203 5244 1 13 . 1 1 77 77 SER CA C 77 53.406 53.406 57.890 -4.484 19203 5245 1 13 . 1 1 77 77 SER CB C 77 63.802 63.802 64.248 -0.446 19203 5246 1 13 . 1 1 77 77 SER H H 77 9.107 9.107 8.790 0.317 19203 5247 1 13 . 1 1 78 78 HIS N N 78 118.463 118.463 120.279 -1.816 19203 5248 1 13 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.311 0.064 19203 5249 1 13 . 1 1 78 78 HIS CA C 78 55.891 55.891 58.028 -2.137 19203 5250 1 13 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.243 -5.004 19203 5251 1 13 . 1 1 78 78 HIS H H 78 9.696 9.696 8.399 1.297 19203 5252 1 13 . 1 1 79 79 GLU N N 79 116.714 116.714 119.554 -2.840 19203 5253 1 13 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.236 0.107 19203 5254 1 13 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.906 -2.966 19203 5255 1 13 . 1 1 79 79 GLU CB C 79 27.513 27.513 28.605 -1.092 19203 5256 1 13 . 1 1 79 79 GLU H H 79 7.053 7.053 7.826 -0.773 19203 5257 1 13 . 1 1 80 80 GLY N N 80 108.106 108.106 108.658 -0.552 19203 5258 1 13 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.704 -3.067 19203 5259 1 13 . 1 1 80 80 GLY H H 80 7.835 7.835 7.934 -0.099 19203 5260 1 13 . 1 1 81 81 GLU N N 81 119.017 119.017 118.122 0.895 19203 5261 1 13 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.698 -0.364 19203 5262 1 13 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.699 -0.972 19203 5263 1 13 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.386 -1.908 19203 5264 1 13 . 1 1 81 81 GLU H H 81 7.067 7.067 7.551 -0.484 19203 5265 1 13 . 1 1 82 82 THR N N 82 114.312 114.312 111.859 2.453 19203 5266 1 13 . 1 1 82 82 THR HA H 82 5.771 5.771 5.202 0.569 19203 5267 1 13 . 1 1 82 82 THR CA C 82 56.694 56.694 60.309 -3.615 19203 5268 1 13 . 1 1 82 82 THR CB C 82 69.359 69.359 72.313 -2.954 19203 5269 1 13 . 1 1 82 82 THR H H 82 8.499 8.499 8.252 0.247 19203 5270 1 13 . 1 1 83 83 ALA N N 83 123.125 123.125 125.440 -2.315 19203 5271 1 13 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.916 -0.475 19203 5272 1 13 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.377 -1.280 19203 5273 1 13 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.917 -0.418 19203 5274 1 13 . 1 1 83 83 ALA H H 83 8.674 8.674 8.477 0.197 19203 5275 1 13 . 1 1 84 84 TYR N N 84 120.587 120.587 118.238 2.349 19203 5276 1 13 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.495 -0.522 19203 5277 1 13 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.221 -0.321 19203 5278 1 13 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.337 -3.185 19203 5279 1 13 . 1 1 84 84 TYR H H 84 8.708 8.708 8.415 0.293 19203 5280 1 13 . 1 1 85 85 ILE N N 85 116.081 116.081 114.358 1.723 19203 5281 1 13 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.046 -0.194 19203 5282 1 13 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.376 -1.446 19203 5283 1 13 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.389 -4.014 19203 5284 1 13 . 1 1 85 85 ILE H H 85 8.182 8.182 8.978 -0.796 19203 5285 1 13 . 1 1 86 86 ARG N N 86 117.289 117.289 119.354 -2.065 19203 5286 1 13 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.789 0.448 19203 5287 1 13 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.996 -4.849 19203 5288 1 13 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.104 -6.631 19203 5289 1 13 . 1 1 86 86 ARG H H 86 8.250 8.250 8.377 -0.127 19203 5290 1 13 . 1 1 87 87 VAL N N 87 121.679 121.679 122.780 -1.101 19203 5291 1 13 . 1 1 87 87 VAL HA H 87 4.633 4.633 5.074 -0.441 19203 5292 1 13 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.858 -2.219 19203 5293 1 13 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.522 -0.893 19203 5294 1 13 . 1 1 87 87 VAL H H 87 8.983 8.983 8.652 0.331 19203 5295 1 13 . 1 1 88 88 LYS N N 88 123.579 123.579 126.540 -2.961 19203 5296 1 13 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.674 0.079 19203 5297 1 13 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.725 -2.827 19203 5298 1 13 . 1 1 88 88 LYS CB C 88 34.143 34.143 36.091 -1.948 19203 5299 1 13 . 1 1 88 88 LYS H H 88 8.679 8.679 8.857 -0.178 19203 5300 1 13 . 1 1 89 89 VAL N N 89 119.787 119.787 121.458 -1.671 19203 5301 1 13 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.916 0.209 19203 5302 1 13 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.260 -1.220 19203 5303 1 13 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.100 -1.759 19203 5304 1 13 . 1 1 89 89 VAL H H 89 8.454 8.454 8.459 -0.005 19203 5305 1 14 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.783 -0.250 19203 5306 1 14 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.250 -3.365 19203 5307 1 14 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.862 -4.240 19203 5308 1 14 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.365 0.461 19203 5309 1 14 . 1 1 3 3 PRO CA C 3 58.309 58.309 63.671 -5.362 19203 5310 1 14 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.456 -4.664 19203 5311 1 14 . 1 1 4 4 ARG N N 4 121.678 121.678 116.108 5.570 19203 5312 1 14 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.455 -0.234 19203 5313 1 14 . 1 1 4 4 ARG CA C 4 53.575 53.575 56.078 -2.503 19203 5314 1 14 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.898 -3.431 19203 5315 1 14 . 1 1 4 4 ARG H H 4 8.483 8.483 8.022 0.461 19203 5316 1 14 . 1 1 5 5 GLY N N 5 109.928 109.928 110.102 -0.174 19203 5317 1 14 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.058 -2.390 19203 5318 1 14 . 1 1 5 5 GLY H H 5 8.344 8.344 8.433 -0.089 19203 5319 1 14 . 1 1 6 6 ARG N N 6 120.896 120.896 121.151 -0.255 19203 5320 1 14 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.405 -0.263 19203 5321 1 14 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.565 -2.046 19203 5322 1 14 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.739 -2.521 19203 5323 1 14 . 1 1 6 6 ARG H H 6 8.144 8.144 8.364 -0.220 19203 5324 1 14 . 1 1 7 7 TYR N N 7 121.118 121.118 126.880 -5.762 19203 5325 1 14 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.609 -0.049 19203 5326 1 14 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.290 -2.485 19203 5327 1 14 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.633 -3.129 19203 5328 1 14 . 1 1 7 7 TYR H H 7 8.218 8.218 8.322 -0.104 19203 5329 1 14 . 1 1 8 8 GLY N N 8 110.613 110.613 111.518 -0.905 19203 5330 1 14 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.910 -2.005 19203 5331 1 14 . 1 1 8 8 GLY H H 8 8.021 8.021 7.127 0.894 19203 5332 1 14 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.708 -0.141 19203 5333 1 14 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.189 -2.389 19203 5334 1 14 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.770 -3.409 19203 5335 1 14 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.470 -0.106 19203 5336 1 14 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.733 -2.319 19203 5337 1 14 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.370 -0.903 19203 5338 1 14 . 1 1 11 11 SER N N 11 116.042 116.042 118.522 -2.480 19203 5339 1 14 . 1 1 11 11 SER HA H 11 4.394 4.394 4.595 -0.201 19203 5340 1 14 . 1 1 11 11 SER CA C 11 55.641 55.641 58.008 -2.368 19203 5341 1 14 . 1 1 11 11 SER CB C 11 61.349 61.349 64.440 -3.091 19203 5342 1 14 . 1 1 11 11 SER H H 11 8.263 8.263 8.251 0.012 19203 5343 1 14 . 1 1 12 12 ARG N N 12 123.432 123.432 124.132 -0.700 19203 5344 1 14 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.434 -0.144 19203 5345 1 14 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.995 -2.684 19203 5346 1 14 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.259 -2.533 19203 5347 1 14 . 1 1 12 12 ARG H H 12 8.317 8.317 8.481 -0.164 19203 5348 1 14 . 1 1 13 13 ARG N N 13 119.550 119.550 120.153 -0.603 19203 5349 1 14 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.423 -2.840 19203 5350 1 14 . 1 1 13 13 ARG H H 13 7.967 7.967 8.684 -0.717 19203 5351 1 14 . 1 1 14 14 SER N N 14 117.366 117.366 114.096 3.270 19203 5352 1 14 . 1 1 14 14 SER HA H 14 4.588 4.588 4.666 -0.078 19203 5353 1 14 . 1 1 14 14 SER CA C 14 54.505 54.505 57.525 -3.020 19203 5354 1 14 . 1 1 14 14 SER CB C 14 63.906 63.906 66.116 -2.210 19203 5355 1 14 . 1 1 14 14 SER H H 14 8.660 8.660 7.760 0.900 19203 5356 1 14 . 1 1 15 15 GLU N N 15 116.212 116.212 120.114 -3.902 19203 5357 1 14 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.092 0.220 19203 5358 1 14 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.184 -4.237 19203 5359 1 14 . 1 1 15 15 GLU CB C 15 27.107 27.107 29.741 -2.634 19203 5360 1 14 . 1 1 15 15 GLU H H 15 8.472 8.472 8.713 -0.241 19203 5361 1 14 . 1 1 16 16 ASN N N 16 120.295 120.295 114.428 5.867 19203 5362 1 14 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.901 0.096 19203 5363 1 14 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.357 -2.426 19203 5364 1 14 . 1 1 16 16 ASN CB C 16 34.311 34.311 39.729 -5.418 19203 5365 1 14 . 1 1 16 16 ASN H H 16 8.326 8.326 8.046 0.280 19203 5366 1 14 . 1 1 17 17 ARG N N 17 123.774 123.774 121.335 2.439 19203 5367 1 14 . 1 1 17 17 ARG HA H 17 5.269 5.269 5.161 0.108 19203 5368 1 14 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.280 -2.440 19203 5369 1 14 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.004 -1.582 19203 5370 1 14 . 1 1 17 17 ARG H H 17 7.726 7.726 7.795 -0.069 19203 5371 1 14 . 1 1 18 18 VAL N N 18 117.634 117.634 122.443 -4.809 19203 5372 1 14 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.622 0.420 19203 5373 1 14 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.630 -3.540 19203 5374 1 14 . 1 1 18 18 VAL CB C 18 31.746 31.746 34.780 -3.034 19203 5375 1 14 . 1 1 18 18 VAL H H 18 9.197 9.197 8.879 0.318 19203 5376 1 14 . 1 1 19 19 VAL N N 19 119.956 119.956 118.379 1.577 19203 5377 1 14 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.757 0.168 19203 5378 1 14 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.309 -2.538 19203 5379 1 14 . 1 1 19 19 VAL CB C 19 31.575 31.575 36.197 -4.622 19203 5380 1 14 . 1 1 19 19 VAL H H 19 9.111 9.111 8.531 0.580 19203 5381 1 14 . 1 1 20 20 VAL N N 20 125.976 125.976 121.453 4.523 19203 5382 1 14 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.806 0.563 19203 5383 1 14 . 1 1 20 20 VAL CA C 20 56.514 56.514 59.876 -3.362 19203 5384 1 14 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.606 -3.559 19203 5385 1 14 . 1 1 20 20 VAL H H 20 8.678 8.678 8.607 0.071 19203 5386 1 14 . 1 1 21 21 SER N N 21 117.905 117.905 115.638 2.267 19203 5387 1 14 . 1 1 21 21 SER HA H 21 5.075 5.075 5.086 -0.011 19203 5388 1 14 . 1 1 21 21 SER CA C 21 54.228 54.228 56.716 -2.488 19203 5389 1 14 . 1 1 21 21 SER CB C 21 63.312 63.312 65.590 -2.278 19203 5390 1 14 . 1 1 21 21 SER H H 21 8.917 8.917 8.226 0.691 19203 5391 1 14 . 1 1 22 22 GLY N N 22 108.144 108.144 111.573 -3.429 19203 5392 1 14 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.829 -2.364 19203 5393 1 14 . 1 1 22 22 GLY H H 22 8.079 8.079 8.683 -0.604 19203 5394 1 14 . 1 1 23 23 LEU N N 23 119.379 119.379 122.647 -3.268 19203 5395 1 14 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.169 -0.746 19203 5396 1 14 . 1 1 23 23 LEU CA C 23 50.873 50.873 52.966 -2.093 19203 5397 1 14 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.225 -2.147 19203 5398 1 14 . 1 1 23 23 LEU H H 23 8.485 8.485 7.294 1.191 19203 5399 1 14 . 1 1 24 24 PRO CB C 24 27.899 27.899 31.147 -3.248 19203 5400 1 14 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.441 -0.183 19203 5401 1 14 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.439 -1.679 19203 5402 1 14 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.916 -2.687 19203 5403 1 14 . 1 1 26 26 SER N N 26 106.249 106.249 114.371 -8.122 19203 5404 1 14 . 1 1 26 26 SER HA H 26 4.319 4.319 4.767 -0.448 19203 5405 1 14 . 1 1 26 26 SER CA C 26 55.722 55.722 57.753 -2.031 19203 5406 1 14 . 1 1 26 26 SER CB C 26 61.171 61.171 64.112 -2.941 19203 5407 1 14 . 1 1 26 26 SER H H 26 7.309 7.309 7.647 -0.338 19203 5408 1 14 . 1 1 27 27 GLY N N 27 107.883 107.883 109.029 -1.146 19203 5409 1 14 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.459 -0.255 19203 5410 1 14 . 1 1 27 27 GLY H H 27 8.075 8.075 7.636 0.439 19203 5411 1 14 . 1 1 28 28 SER N N 28 123.917 123.917 118.332 5.585 19203 5412 1 14 . 1 1 28 28 SER HA H 28 4.903 4.903 4.928 -0.025 19203 5413 1 14 . 1 1 28 28 SER CA C 28 53.260 53.260 56.831 -3.571 19203 5414 1 14 . 1 1 28 28 SER CB C 28 64.609 64.609 66.488 -1.879 19203 5415 1 14 . 1 1 28 28 SER H H 28 9.021 9.021 8.679 0.342 19203 5416 1 14 . 1 1 29 29 TRP N N 29 120.079 120.079 122.905 -2.826 19203 5417 1 14 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.410 -0.386 19203 5418 1 14 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.037 -1.973 19203 5419 1 14 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.861 -3.639 19203 5420 1 14 . 1 1 29 29 TRP H H 29 9.042 9.042 8.815 0.227 19203 5421 1 14 . 1 1 30 30 GLN N N 30 123.085 123.085 120.939 2.146 19203 5422 1 14 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.038 -0.844 19203 5423 1 14 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.270 -2.304 19203 5424 1 14 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.320 -2.636 19203 5425 1 14 . 1 1 30 30 GLN H H 30 7.587 7.587 7.808 -0.221 19203 5426 1 14 . 1 1 31 31 ASP N N 31 120.127 120.127 120.156 -0.029 19203 5427 1 14 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.176 -0.026 19203 5428 1 14 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.147 -2.812 19203 5429 1 14 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.036 -0.764 19203 5430 1 14 . 1 1 31 31 ASP H H 31 7.697 7.697 8.067 -0.370 19203 5431 1 14 . 1 1 32 32 LEU N N 32 122.010 122.010 121.528 0.482 19203 5432 1 14 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.376 -0.171 19203 5433 1 14 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.508 -2.969 19203 5434 1 14 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.769 -2.768 19203 5435 1 14 . 1 1 32 32 LEU H H 32 8.260 8.260 8.335 -0.075 19203 5436 1 14 . 1 1 33 33 LYS N N 33 120.333 120.333 118.208 2.125 19203 5437 1 14 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.107 -0.595 19203 5438 1 14 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.715 -1.230 19203 5439 1 14 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.524 -2.885 19203 5440 1 14 . 1 1 33 33 LYS H H 33 8.506 8.506 8.250 0.256 19203 5441 1 14 . 1 1 34 34 ASP N N 34 117.666 117.666 116.945 0.721 19203 5442 1 14 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.430 -0.147 19203 5443 1 14 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.776 -1.894 19203 5444 1 14 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.221 -3.682 19203 5445 1 14 . 1 1 34 34 ASP H H 34 8.353 8.353 8.144 0.209 19203 5446 1 14 . 1 1 35 35 HIS N N 35 119.654 119.654 116.785 2.869 19203 5447 1 14 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.601 -0.494 19203 5448 1 14 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.274 -0.950 19203 5449 1 14 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.131 -0.867 19203 5450 1 14 . 1 1 35 35 HIS H H 35 7.943 7.943 7.832 0.111 19203 5451 1 14 . 1 1 36 36 MET N N 36 111.628 111.628 118.098 -6.470 19203 5452 1 14 . 1 1 36 36 MET HA H 36 4.572 4.572 4.605 -0.033 19203 5453 1 14 . 1 1 36 36 MET CA C 36 52.172 52.172 55.216 -3.044 19203 5454 1 14 . 1 1 36 36 MET CB C 36 31.060 31.060 32.269 -1.209 19203 5455 1 14 . 1 1 36 36 MET H H 36 7.812 7.812 8.510 -0.698 19203 5456 1 14 . 1 1 37 37 ARG N N 37 119.419 119.419 115.720 3.699 19203 5457 1 14 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.369 0.264 19203 5458 1 14 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.476 -1.069 19203 5459 1 14 . 1 1 37 37 ARG CB C 37 27.001 27.001 30.278 -3.277 19203 5460 1 14 . 1 1 37 37 ARG H H 37 7.929 7.929 7.732 0.197 19203 5461 1 14 . 1 1 38 38 GLU N N 38 118.450 118.450 122.357 -3.907 19203 5462 1 14 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.014 -0.027 19203 5463 1 14 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.961 -3.374 19203 5464 1 14 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.443 -1.986 19203 5465 1 14 . 1 1 38 38 GLU H H 38 7.524 7.524 7.618 -0.094 19203 5466 1 14 . 1 1 39 39 ALA N N 39 118.496 118.496 118.570 -0.074 19203 5467 1 14 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.439 -0.460 19203 5468 1 14 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.789 -2.563 19203 5469 1 14 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.187 -1.530 19203 5470 1 14 . 1 1 39 39 ALA H H 39 7.958 7.958 8.276 -0.318 19203 5471 1 14 . 1 1 40 40 GLY N N 40 101.970 101.970 104.770 -2.800 19203 5472 1 14 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.858 -3.338 19203 5473 1 14 . 1 1 40 40 GLY H H 40 7.172 7.172 7.788 -0.616 19203 5474 1 14 . 1 1 41 41 ASP N N 41 116.412 116.412 119.259 -2.847 19203 5475 1 14 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.677 -0.226 19203 5476 1 14 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.202 0.046 19203 5477 1 14 . 1 1 41 41 ASP CB C 41 38.386 38.386 44.144 -5.758 19203 5478 1 14 . 1 1 41 41 ASP H H 41 7.917 7.917 7.715 0.202 19203 5479 1 14 . 1 1 42 42 VAL N N 42 128.043 128.043 121.109 6.934 19203 5480 1 14 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.281 -0.255 19203 5481 1 14 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.602 -1.779 19203 5482 1 14 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.727 -2.783 19203 5483 1 14 . 1 1 42 42 VAL H H 42 8.366 8.366 8.150 0.216 19203 5484 1 14 . 1 1 43 43 CYS N N 43 122.686 122.686 128.754 -6.068 19203 5485 1 14 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.429 0.350 19203 5486 1 14 . 1 1 43 43 CYS CA C 43 54.138 54.138 59.305 -5.167 19203 5487 1 14 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.271 -2.616 19203 5488 1 14 . 1 1 43 43 CYS H H 43 8.800 8.800 8.765 0.035 19203 5489 1 14 . 1 1 44 44 TYR N N 44 122.582 122.582 121.083 1.499 19203 5490 1 14 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.494 -0.058 19203 5491 1 14 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.419 -2.631 19203 5492 1 14 . 1 1 44 44 TYR CB C 44 39.803 39.803 40.634 -0.831 19203 5493 1 14 . 1 1 44 44 TYR H H 44 7.420 7.420 7.972 -0.552 19203 5494 1 14 . 1 1 45 45 ALA N N 45 127.108 127.108 128.266 -1.158 19203 5495 1 14 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.466 0.475 19203 5496 1 14 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.153 -3.118 19203 5497 1 14 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.048 -1.809 19203 5498 1 14 . 1 1 45 45 ALA H H 45 7.107 7.107 7.471 -0.364 19203 5499 1 14 . 1 1 46 46 ASP N N 46 117.612 117.612 122.330 -4.718 19203 5500 1 14 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.577 0.046 19203 5501 1 14 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.746 -3.227 19203 5502 1 14 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.248 -2.455 19203 5503 1 14 . 1 1 46 46 ASP H H 46 8.463 8.463 8.445 0.018 19203 5504 1 14 . 1 1 47 47 VAL N N 47 116.535 116.535 122.827 -6.292 19203 5505 1 14 . 1 1 47 47 VAL HA H 47 4.246 4.246 3.795 0.451 19203 5506 1 14 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.967 -2.910 19203 5507 1 14 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.741 -1.840 19203 5508 1 14 . 1 1 47 47 VAL H H 47 8.096 8.096 8.165 -0.069 19203 5509 1 14 . 1 1 48 48 TYR N N 48 124.428 124.428 125.360 -0.932 19203 5510 1 14 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.562 0.381 19203 5511 1 14 . 1 1 48 48 TYR CA C 48 53.268 53.268 57.992 -4.724 19203 5512 1 14 . 1 1 48 48 TYR CB C 48 36.185 36.185 38.238 -2.053 19203 5513 1 14 . 1 1 48 48 TYR H H 48 8.673 8.673 7.750 0.923 19203 5514 1 14 . 1 1 49 49 ARG N N 49 117.750 117.750 120.489 -2.739 19203 5515 1 14 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.024 0.165 19203 5516 1 14 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.603 -3.489 19203 5517 1 14 . 1 1 49 49 ARG CB C 49 26.710 26.710 30.378 -3.668 19203 5518 1 14 . 1 1 49 49 ARG H H 49 8.520 8.520 8.684 -0.164 19203 5519 1 14 . 1 1 50 50 ASP N N 50 117.696 117.696 113.723 3.973 19203 5520 1 14 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.607 -0.027 19203 5521 1 14 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.583 -3.407 19203 5522 1 14 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.562 -4.657 19203 5523 1 14 . 1 1 50 50 ASP H H 50 7.960 7.960 7.698 0.262 19203 5524 1 14 . 1 1 51 51 GLY N N 51 108.367 108.367 105.460 2.907 19203 5525 1 14 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.567 -3.004 19203 5526 1 14 . 1 1 51 51 GLY H H 51 8.053 8.053 8.502 -0.449 19203 5527 1 14 . 1 1 52 52 THR N N 52 109.991 109.991 111.960 -1.969 19203 5528 1 14 . 1 1 52 52 THR HA H 52 5.497 5.497 5.126 0.371 19203 5529 1 14 . 1 1 52 52 THR CA C 52 57.040 57.040 59.993 -2.953 19203 5530 1 14 . 1 1 52 52 THR CB C 52 69.847 69.847 72.616 -2.769 19203 5531 1 14 . 1 1 52 52 THR H H 52 7.637 7.637 7.700 -0.063 19203 5532 1 14 . 1 1 53 53 GLY N N 53 105.727 105.727 106.446 -0.719 19203 5533 1 14 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.086 -1.788 19203 5534 1 14 . 1 1 53 53 GLY H H 53 8.801 8.801 8.320 0.481 19203 5535 1 14 . 1 1 54 54 VAL N N 54 117.327 117.327 119.537 -2.210 19203 5536 1 14 . 1 1 54 54 VAL HA H 54 5.357 5.357 5.035 0.322 19203 5537 1 14 . 1 1 54 54 VAL CA C 54 56.820 56.820 60.073 -3.253 19203 5538 1 14 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.398 -1.675 19203 5539 1 14 . 1 1 54 54 VAL H H 54 8.585 8.585 8.714 -0.129 19203 5540 1 14 . 1 1 55 55 VAL N N 55 120.925 120.925 126.186 -5.261 19203 5541 1 14 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.700 -0.069 19203 5542 1 14 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.937 -2.957 19203 5543 1 14 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.505 -3.717 19203 5544 1 14 . 1 1 55 55 VAL H H 55 8.475 8.475 9.285 -0.810 19203 5545 1 14 . 1 1 56 56 GLU N N 56 123.932 123.932 125.540 -1.608 19203 5546 1 14 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.012 -0.014 19203 5547 1 14 . 1 1 56 56 GLU CA C 56 51.359 51.359 54.750 -3.391 19203 5548 1 14 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.265 -3.191 19203 5549 1 14 . 1 1 56 56 GLU H H 56 8.896 8.896 8.366 0.530 19203 5550 1 14 . 1 1 57 57 PHE N N 57 120.441 120.441 124.763 -4.322 19203 5551 1 14 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.544 0.445 19203 5552 1 14 . 1 1 57 57 PHE CA C 57 55.075 55.075 58.483 -3.408 19203 5553 1 14 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.580 -1.300 19203 5554 1 14 . 1 1 57 57 PHE H H 57 8.549 8.549 9.237 -0.688 19203 5555 1 14 . 1 1 58 58 VAL N N 58 125.263 125.263 115.793 9.470 19203 5556 1 14 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.975 -0.403 19203 5557 1 14 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.476 -0.083 19203 5558 1 14 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.437 -2.876 19203 5559 1 14 . 1 1 58 58 VAL H H 58 8.123 8.123 8.023 0.100 19203 5560 1 14 . 1 1 59 59 ARG N N 59 117.434 117.434 116.528 0.906 19203 5561 1 14 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.738 -0.025 19203 5562 1 14 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.057 -3.016 19203 5563 1 14 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.171 -3.563 19203 5564 1 14 . 1 1 59 59 ARG H H 59 9.504 9.504 7.668 1.836 19203 5565 1 14 . 1 1 60 60 LYS N N 60 127.390 127.390 122.746 4.644 19203 5566 1 14 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.036 -0.410 19203 5567 1 14 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.260 -1.835 19203 5568 1 14 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.459 -2.820 19203 5569 1 14 . 1 1 60 60 LYS H H 60 8.955 8.955 8.865 0.090 19203 5570 1 14 . 1 1 61 61 GLU N N 61 117.610 117.610 118.770 -1.160 19203 5571 1 14 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.040 -0.067 19203 5572 1 14 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.681 -2.809 19203 5573 1 14 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.927 -2.836 19203 5574 1 14 . 1 1 61 61 GLU H H 61 9.814 9.814 8.797 1.017 19203 5575 1 14 . 1 1 62 62 ASP N N 62 121.439 121.439 119.447 1.992 19203 5576 1 14 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.621 -0.272 19203 5577 1 14 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.465 -3.042 19203 5578 1 14 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.593 -3.323 19203 5579 1 14 . 1 1 62 62 ASP H H 62 6.760 6.760 7.912 -1.152 19203 5580 1 14 . 1 1 63 63 MET N N 63 120.225 120.225 120.732 -0.507 19203 5581 1 14 . 1 1 63 63 MET HA H 63 3.070 3.070 3.590 -0.520 19203 5582 1 14 . 1 1 63 63 MET CA C 63 56.211 56.211 59.693 -3.482 19203 5583 1 14 . 1 1 63 63 MET CB C 63 30.414 30.414 32.685 -2.271 19203 5584 1 14 . 1 1 63 63 MET H H 63 6.863 6.863 8.530 -1.667 19203 5585 1 14 . 1 1 64 64 THR N N 64 113.874 113.874 113.531 0.343 19203 5586 1 14 . 1 1 64 64 THR HA H 64 3.663 3.663 4.103 -0.440 19203 5587 1 14 . 1 1 64 64 THR CA C 64 63.733 63.733 65.319 -1.586 19203 5588 1 14 . 1 1 64 64 THR CB C 64 65.692 65.692 68.415 -2.723 19203 5589 1 14 . 1 1 64 64 THR H H 64 7.900 7.900 8.066 -0.166 19203 5590 1 14 . 1 1 65 65 TYR N N 65 122.573 122.573 121.899 0.674 19203 5591 1 14 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.341 -0.336 19203 5592 1 14 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.373 -2.923 19203 5593 1 14 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.715 -3.017 19203 5594 1 14 . 1 1 65 65 TYR H H 65 7.530 7.530 7.801 -0.271 19203 5595 1 14 . 1 1 66 66 ALA N N 66 120.898 120.898 122.396 -1.498 19203 5596 1 14 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.133 -0.495 19203 5597 1 14 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.205 -2.183 19203 5598 1 14 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.001 -1.419 19203 5599 1 14 . 1 1 66 66 ALA H H 66 8.144 8.144 7.984 0.160 19203 5600 1 14 . 1 1 67 67 VAL N N 67 115.474 115.474 117.226 -1.752 19203 5601 1 14 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.677 -0.361 19203 5602 1 14 . 1 1 67 67 VAL CA C 67 63.649 63.649 65.121 -1.472 19203 5603 1 14 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.603 -2.141 19203 5604 1 14 . 1 1 67 67 VAL H H 67 7.602 7.602 7.651 -0.049 19203 5605 1 14 . 1 1 68 68 ARG N N 68 116.635 116.635 116.559 0.076 19203 5606 1 14 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.430 -0.388 19203 5607 1 14 . 1 1 68 68 ARG CA C 68 55.989 55.989 55.996 -0.007 19203 5608 1 14 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.559 -3.107 19203 5609 1 14 . 1 1 68 68 ARG H H 68 7.531 7.531 7.752 -0.221 19203 5610 1 14 . 1 1 69 69 LYS N N 69 115.566 115.566 116.267 -0.701 19203 5611 1 14 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.409 -0.188 19203 5612 1 14 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.383 -2.814 19203 5613 1 14 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.433 -3.440 19203 5614 1 14 . 1 1 69 69 LYS H H 69 8.664 8.664 8.166 0.498 19203 5615 1 14 . 1 1 70 70 LEU N N 70 114.943 114.943 121.331 -6.388 19203 5616 1 14 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.615 0.211 19203 5617 1 14 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.161 -3.675 19203 5618 1 14 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.964 -3.699 19203 5619 1 14 . 1 1 70 70 LEU H H 70 8.164 8.164 8.120 0.044 19203 5620 1 14 . 1 1 71 71 ASP N N 71 119.864 119.864 119.260 0.604 19203 5621 1 14 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.653 -0.261 19203 5622 1 14 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.876 0.308 19203 5623 1 14 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.697 -3.234 19203 5624 1 14 . 1 1 71 71 ASP H H 71 6.910 6.910 7.624 -0.714 19203 5625 1 14 . 1 1 72 72 ASN N N 72 123.602 123.602 116.147 7.455 19203 5626 1 14 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.684 -0.003 19203 5627 1 14 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.501 -2.799 19203 5628 1 14 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.959 -2.899 19203 5629 1 14 . 1 1 72 72 ASN H H 72 9.037 9.037 8.647 0.390 19203 5630 1 14 . 1 1 73 73 THR N N 73 105.063 105.063 107.085 -2.022 19203 5631 1 14 . 1 1 73 73 THR HA H 73 4.674 4.674 4.308 0.366 19203 5632 1 14 . 1 1 73 73 THR CA C 73 57.397 57.397 61.934 -4.537 19203 5633 1 14 . 1 1 73 73 THR CB C 73 70.412 70.412 69.802 0.610 19203 5634 1 14 . 1 1 73 73 THR H H 73 7.187 7.187 7.406 -0.219 19203 5635 1 14 . 1 1 74 74 LYS N N 74 120.141 120.141 120.797 -0.656 19203 5636 1 14 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.888 -1.232 19203 5637 1 14 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.164 -2.331 19203 5638 1 14 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.461 -4.556 19203 5639 1 14 . 1 1 74 74 LYS H H 74 8.384 8.384 8.632 -0.248 19203 5640 1 14 . 1 1 75 75 PHE N N 75 132.829 132.829 119.794 13.035 19203 5641 1 14 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.467 -0.151 19203 5642 1 14 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.786 -3.583 19203 5643 1 14 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.831 -2.375 19203 5644 1 14 . 1 1 75 75 PHE H H 75 9.243 9.243 8.789 0.454 19203 5645 1 14 . 1 1 76 76 ARG N N 76 128.489 128.489 127.688 0.801 19203 5646 1 14 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.201 0.597 19203 5647 1 14 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.871 -4.890 19203 5648 1 14 . 1 1 76 76 ARG CB C 76 30.374 30.374 30.227 0.146 19203 5649 1 14 . 1 1 76 76 ARG H H 76 8.293 8.293 7.809 0.484 19203 5650 1 14 . 1 1 77 77 SER N N 77 120.971 120.971 117.786 3.185 19203 5651 1 14 . 1 1 77 77 SER HA H 77 4.278 4.278 4.637 -0.359 19203 5652 1 14 . 1 1 77 77 SER CA C 77 53.406 53.406 56.929 -3.523 19203 5653 1 14 . 1 1 77 77 SER CB C 77 63.802 63.802 64.830 -1.028 19203 5654 1 14 . 1 1 77 77 SER H H 77 9.107 9.107 8.571 0.536 19203 5655 1 14 . 1 1 78 78 HIS N N 78 118.463 118.463 124.835 -6.372 19203 5656 1 14 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.403 -0.028 19203 5657 1 14 . 1 1 78 78 HIS CA C 78 55.891 55.891 58.017 -2.126 19203 5658 1 14 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.997 -5.758 19203 5659 1 14 . 1 1 78 78 HIS H H 78 9.696 9.696 8.807 0.889 19203 5660 1 14 . 1 1 79 79 GLU N N 79 116.714 116.714 118.909 -2.195 19203 5661 1 14 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.290 0.053 19203 5662 1 14 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.183 -3.243 19203 5663 1 14 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.039 -1.526 19203 5664 1 14 . 1 1 79 79 GLU H H 79 7.053 7.053 7.713 -0.660 19203 5665 1 14 . 1 1 80 80 GLY N N 80 108.106 108.106 107.396 0.710 19203 5666 1 14 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.589 -2.952 19203 5667 1 14 . 1 1 80 80 GLY H H 80 7.835 7.835 8.087 -0.252 19203 5668 1 14 . 1 1 81 81 GLU N N 81 119.017 119.017 117.159 1.858 19203 5669 1 14 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.783 -0.449 19203 5670 1 14 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.715 -0.988 19203 5671 1 14 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.455 -1.977 19203 5672 1 14 . 1 1 81 81 GLU H H 81 7.067 7.067 7.867 -0.800 19203 5673 1 14 . 1 1 82 82 THR N N 82 114.312 114.312 110.529 3.783 19203 5674 1 14 . 1 1 82 82 THR HA H 82 5.771 5.771 5.282 0.489 19203 5675 1 14 . 1 1 82 82 THR CA C 82 56.694 56.694 59.936 -3.242 19203 5676 1 14 . 1 1 82 82 THR CB C 82 69.359 69.359 71.876 -2.517 19203 5677 1 14 . 1 1 82 82 THR H H 82 8.499 8.499 8.263 0.236 19203 5678 1 14 . 1 1 83 83 ALA N N 83 123.125 123.125 125.918 -2.793 19203 5679 1 14 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.980 -0.539 19203 5680 1 14 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.422 -1.325 19203 5681 1 14 . 1 1 83 83 ALA CB C 83 21.499 21.499 22.289 -0.790 19203 5682 1 14 . 1 1 83 83 ALA H H 83 8.674 8.674 8.675 -0.001 19203 5683 1 14 . 1 1 84 84 TYR N N 84 120.587 120.587 117.487 3.100 19203 5684 1 14 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.662 -0.689 19203 5685 1 14 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.304 0.596 19203 5686 1 14 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.351 -4.199 19203 5687 1 14 . 1 1 84 84 TYR H H 84 8.708 8.708 8.615 0.093 19203 5688 1 14 . 1 1 85 85 ILE N N 85 116.081 116.081 113.868 2.213 19203 5689 1 14 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.947 -0.095 19203 5690 1 14 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.627 -1.698 19203 5691 1 14 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.544 -4.168 19203 5692 1 14 . 1 1 85 85 ILE H H 85 8.182 8.182 8.899 -0.717 19203 5693 1 14 . 1 1 86 86 ARG N N 86 117.289 117.289 121.294 -4.005 19203 5694 1 14 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.726 0.511 19203 5695 1 14 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.709 -5.562 19203 5696 1 14 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.474 -5.000 19203 5697 1 14 . 1 1 86 86 ARG H H 86 8.250 8.250 8.325 -0.075 19203 5698 1 14 . 1 1 87 87 VAL N N 87 121.679 121.679 124.841 -3.162 19203 5699 1 14 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.197 0.436 19203 5700 1 14 . 1 1 87 87 VAL CA C 87 58.639 58.639 63.185 -4.546 19203 5701 1 14 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.526 0.103 19203 5702 1 14 . 1 1 87 87 VAL H H 87 8.983 8.983 8.681 0.302 19203 5703 1 14 . 1 1 88 88 LYS N N 88 123.579 123.579 122.878 0.701 19203 5704 1 14 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.676 0.077 19203 5705 1 14 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.601 -2.703 19203 5706 1 14 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.533 -1.390 19203 5707 1 14 . 1 1 88 88 LYS H H 88 8.679 8.679 8.745 -0.066 19203 5708 1 14 . 1 1 89 89 VAL N N 89 119.787 119.787 119.876 -0.089 19203 5709 1 14 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.057 0.068 19203 5710 1 14 . 1 1 89 89 VAL CA C 89 61.040 61.040 61.286 -0.246 19203 5711 1 14 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.689 -2.348 19203 5712 1 14 . 1 1 89 89 VAL H H 89 8.454 8.454 8.412 0.042 19203 5713 1 15 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.276 -0.743 19203 5714 1 15 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.175 -3.290 19203 5715 1 15 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.140 -4.519 19203 5716 1 15 . 1 1 3 3 PRO HA H 3 4.826 4.826 5.039 -0.213 19203 5717 1 15 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.718 -4.409 19203 5718 1 15 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.769 -4.977 19203 5719 1 15 . 1 1 4 4 ARG N N 4 121.678 121.678 117.793 3.885 19203 5720 1 15 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.840 -0.619 19203 5721 1 15 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.529 -1.954 19203 5722 1 15 . 1 1 4 4 ARG CB C 4 28.467 28.467 32.614 -4.147 19203 5723 1 15 . 1 1 4 4 ARG H H 4 8.483 8.483 8.878 -0.395 19203 5724 1 15 . 1 1 5 5 GLY N N 5 109.928 109.928 108.932 0.996 19203 5725 1 15 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.862 -2.194 19203 5726 1 15 . 1 1 5 5 GLY H H 5 8.344 8.344 8.229 0.115 19203 5727 1 15 . 1 1 6 6 ARG N N 6 120.896 120.896 119.667 1.229 19203 5728 1 15 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.723 -0.581 19203 5729 1 15 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.273 -1.754 19203 5730 1 15 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.749 -2.531 19203 5731 1 15 . 1 1 6 6 ARG H H 6 8.144 8.144 8.192 -0.048 19203 5732 1 15 . 1 1 7 7 TYR N N 7 121.118 121.118 122.019 -0.901 19203 5733 1 15 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.775 -0.215 19203 5734 1 15 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.206 -2.401 19203 5735 1 15 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.408 -3.904 19203 5736 1 15 . 1 1 7 7 TYR H H 7 8.218 8.218 8.230 -0.012 19203 5737 1 15 . 1 1 8 8 GLY N N 8 110.613 110.613 110.721 -0.108 19203 5738 1 15 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.318 -2.413 19203 5739 1 15 . 1 1 8 8 GLY H H 8 8.021 8.021 7.931 0.090 19203 5740 1 15 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.673 -0.106 19203 5741 1 15 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.590 -2.790 19203 5742 1 15 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.376 -3.015 19203 5743 1 15 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.467 -0.103 19203 5744 1 15 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.036 -2.622 19203 5745 1 15 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.922 -1.455 19203 5746 1 15 . 1 1 11 11 SER N N 11 116.042 116.042 119.992 -3.950 19203 5747 1 15 . 1 1 11 11 SER HA H 11 4.394 4.394 4.583 -0.189 19203 5748 1 15 . 1 1 11 11 SER CA C 11 55.641 55.641 57.851 -2.210 19203 5749 1 15 . 1 1 11 11 SER CB C 11 61.349 61.349 64.539 -3.190 19203 5750 1 15 . 1 1 11 11 SER H H 11 8.263 8.263 8.130 0.133 19203 5751 1 15 . 1 1 12 12 ARG N N 12 123.432 123.432 122.897 0.535 19203 5752 1 15 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.283 0.006 19203 5753 1 15 . 1 1 12 12 ARG CA C 12 53.311 53.311 56.389 -3.078 19203 5754 1 15 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.954 -2.228 19203 5755 1 15 . 1 1 12 12 ARG H H 12 8.317 8.317 8.560 -0.243 19203 5756 1 15 . 1 1 13 13 ARG N N 13 119.550 119.550 120.754 -1.204 19203 5757 1 15 . 1 1 13 13 ARG CB C 13 28.583 28.583 29.336 -0.753 19203 5758 1 15 . 1 1 13 13 ARG H H 13 7.967 7.967 8.588 -0.621 19203 5759 1 15 . 1 1 14 14 SER N N 14 117.366 117.366 118.281 -0.915 19203 5760 1 15 . 1 1 14 14 SER HA H 14 4.588 4.588 4.388 0.200 19203 5761 1 15 . 1 1 14 14 SER CA C 14 54.505 54.505 58.604 -4.099 19203 5762 1 15 . 1 1 14 14 SER CB C 14 63.906 63.906 64.083 -0.177 19203 5763 1 15 . 1 1 14 14 SER H H 14 8.660 8.660 8.395 0.265 19203 5764 1 15 . 1 1 15 15 GLU N N 15 116.212 116.212 121.041 -4.829 19203 5765 1 15 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.198 0.114 19203 5766 1 15 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.116 -4.169 19203 5767 1 15 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.631 -0.524 19203 5768 1 15 . 1 1 15 15 GLU H H 15 8.472 8.472 8.964 -0.492 19203 5769 1 15 . 1 1 16 16 ASN N N 16 120.295 120.295 115.001 5.294 19203 5770 1 15 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.914 0.083 19203 5771 1 15 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.600 -2.669 19203 5772 1 15 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.413 -6.102 19203 5773 1 15 . 1 1 16 16 ASN H H 16 8.326 8.326 8.415 -0.089 19203 5774 1 15 . 1 1 17 17 ARG N N 17 123.774 123.774 120.859 2.915 19203 5775 1 15 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.818 0.451 19203 5776 1 15 . 1 1 17 17 ARG CA C 17 52.840 52.840 54.995 -2.155 19203 5777 1 15 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.613 -2.191 19203 5778 1 15 . 1 1 17 17 ARG H H 17 7.726 7.726 7.460 0.266 19203 5779 1 15 . 1 1 18 18 VAL N N 18 117.634 117.634 120.608 -2.974 19203 5780 1 15 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.012 0.030 19203 5781 1 15 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.968 -3.878 19203 5782 1 15 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.157 -3.411 19203 5783 1 15 . 1 1 18 18 VAL H H 18 9.197 9.197 8.209 0.988 19203 5784 1 15 . 1 1 19 19 VAL N N 19 119.956 119.956 114.215 5.741 19203 5785 1 15 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.614 0.311 19203 5786 1 15 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.896 -3.125 19203 5787 1 15 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.133 -3.558 19203 5788 1 15 . 1 1 19 19 VAL H H 19 9.111 9.111 8.887 0.224 19203 5789 1 15 . 1 1 20 20 VAL N N 20 125.976 125.976 117.644 8.332 19203 5790 1 15 . 1 1 20 20 VAL HA H 20 5.369 5.369 5.080 0.289 19203 5791 1 15 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.036 -3.522 19203 5792 1 15 . 1 1 20 20 VAL CB C 20 32.047 32.047 35.989 -3.942 19203 5793 1 15 . 1 1 20 20 VAL H H 20 8.678 8.678 8.623 0.055 19203 5794 1 15 . 1 1 21 21 SER N N 21 117.905 117.905 114.808 3.097 19203 5795 1 15 . 1 1 21 21 SER HA H 21 5.075 5.075 5.124 -0.049 19203 5796 1 15 . 1 1 21 21 SER CA C 21 54.228 54.228 57.087 -2.858 19203 5797 1 15 . 1 1 21 21 SER CB C 21 63.312 63.312 66.320 -3.008 19203 5798 1 15 . 1 1 21 21 SER H H 21 8.917 8.917 8.930 -0.013 19203 5799 1 15 . 1 1 22 22 GLY N N 22 108.144 108.144 108.316 -0.172 19203 5800 1 15 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.527 -3.062 19203 5801 1 15 . 1 1 22 22 GLY H H 22 8.079 8.079 8.218 -0.139 19203 5802 1 15 . 1 1 23 23 LEU N N 23 119.379 119.379 121.845 -2.466 19203 5803 1 15 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.081 -0.658 19203 5804 1 15 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.187 -2.314 19203 5805 1 15 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.168 -2.090 19203 5806 1 15 . 1 1 23 23 LEU H H 23 8.485 8.485 7.639 0.846 19203 5807 1 15 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.885 -2.986 19203 5808 1 15 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.328 -0.070 19203 5809 1 15 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.423 -1.664 19203 5810 1 15 . 1 1 25 25 PRO CB C 25 29.229 29.229 32.012 -2.783 19203 5811 1 15 . 1 1 26 26 SER N N 26 106.249 106.249 115.508 -9.259 19203 5812 1 15 . 1 1 26 26 SER HA H 26 4.319 4.319 4.678 -0.359 19203 5813 1 15 . 1 1 26 26 SER CA C 26 55.722 55.722 57.433 -1.711 19203 5814 1 15 . 1 1 26 26 SER CB C 26 61.171 61.171 62.645 -1.474 19203 5815 1 15 . 1 1 26 26 SER H H 26 7.309 7.309 8.476 -1.167 19203 5816 1 15 . 1 1 27 27 GLY N N 27 107.883 107.883 107.827 0.056 19203 5817 1 15 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.473 -0.269 19203 5818 1 15 . 1 1 27 27 GLY H H 27 8.075 8.075 7.323 0.752 19203 5819 1 15 . 1 1 28 28 SER N N 28 123.917 123.917 114.782 9.135 19203 5820 1 15 . 1 1 28 28 SER HA H 28 4.903 4.903 4.676 0.227 19203 5821 1 15 . 1 1 28 28 SER CA C 28 53.260 53.260 55.597 -2.337 19203 5822 1 15 . 1 1 28 28 SER CB C 28 64.609 64.609 66.360 -1.751 19203 5823 1 15 . 1 1 28 28 SER H H 28 9.021 9.021 8.107 0.914 19203 5824 1 15 . 1 1 29 29 TRP N N 29 120.079 120.079 120.685 -0.606 19203 5825 1 15 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.466 -0.442 19203 5826 1 15 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.615 -1.551 19203 5827 1 15 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.930 -3.708 19203 5828 1 15 . 1 1 29 29 TRP H H 29 9.042 9.042 8.120 0.922 19203 5829 1 15 . 1 1 30 30 GLN N N 30 123.085 123.085 120.193 2.892 19203 5830 1 15 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.906 -0.712 19203 5831 1 15 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.020 -2.054 19203 5832 1 15 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.200 -2.516 19203 5833 1 15 . 1 1 30 30 GLN H H 30 7.587 7.587 7.462 0.125 19203 5834 1 15 . 1 1 31 31 ASP N N 31 120.127 120.127 119.442 0.685 19203 5835 1 15 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.361 -0.211 19203 5836 1 15 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.529 -2.195 19203 5837 1 15 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.236 -0.964 19203 5838 1 15 . 1 1 31 31 ASP H H 31 7.697 7.697 8.180 -0.483 19203 5839 1 15 . 1 1 32 32 LEU N N 32 122.010 122.010 122.034 -0.024 19203 5840 1 15 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.345 -0.140 19203 5841 1 15 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.429 -2.890 19203 5842 1 15 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.526 -2.526 19203 5843 1 15 . 1 1 32 32 LEU H H 32 8.260 8.260 8.058 0.202 19203 5844 1 15 . 1 1 33 33 LYS N N 33 120.333 120.333 117.362 2.971 19203 5845 1 15 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.065 -0.553 19203 5846 1 15 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.626 -1.141 19203 5847 1 15 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.484 -2.845 19203 5848 1 15 . 1 1 33 33 LYS H H 33 8.506 8.506 8.370 0.136 19203 5849 1 15 . 1 1 34 34 ASP N N 34 117.666 117.666 116.548 1.118 19203 5850 1 15 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.502 -0.219 19203 5851 1 15 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.665 -1.783 19203 5852 1 15 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.645 -4.106 19203 5853 1 15 . 1 1 34 34 ASP H H 34 8.353 8.353 7.770 0.583 19203 5854 1 15 . 1 1 35 35 HIS N N 35 119.654 119.654 117.797 1.857 19203 5855 1 15 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.565 -0.458 19203 5856 1 15 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.437 -0.113 19203 5857 1 15 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.597 -1.332 19203 5858 1 15 . 1 1 35 35 HIS H H 35 7.943 7.943 8.331 -0.388 19203 5859 1 15 . 1 1 36 36 MET N N 36 111.628 111.628 121.261 -9.633 19203 5860 1 15 . 1 1 36 36 MET HA H 36 4.572 4.572 4.721 -0.149 19203 5861 1 15 . 1 1 36 36 MET CA C 36 52.172 52.172 55.562 -3.390 19203 5862 1 15 . 1 1 36 36 MET CB C 36 31.060 31.060 31.951 -0.891 19203 5863 1 15 . 1 1 36 36 MET H H 36 7.812 7.812 8.482 -0.670 19203 5864 1 15 . 1 1 37 37 ARG N N 37 119.419 119.419 119.924 -0.505 19203 5865 1 15 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.566 0.067 19203 5866 1 15 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.953 -0.546 19203 5867 1 15 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.026 -2.025 19203 5868 1 15 . 1 1 37 37 ARG H H 37 7.929 7.929 8.044 -0.115 19203 5869 1 15 . 1 1 38 38 GLU N N 38 118.450 118.450 118.677 -0.227 19203 5870 1 15 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.438 -0.451 19203 5871 1 15 . 1 1 38 38 GLU CA C 38 55.587 55.587 56.639 -1.052 19203 5872 1 15 . 1 1 38 38 GLU CB C 38 27.457 27.457 30.634 -3.177 19203 5873 1 15 . 1 1 38 38 GLU H H 38 7.524 7.524 8.300 -0.776 19203 5874 1 15 . 1 1 39 39 ALA N N 39 118.496 118.496 122.245 -3.749 19203 5875 1 15 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.736 -0.757 19203 5876 1 15 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.676 -1.450 19203 5877 1 15 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.454 -1.798 19203 5878 1 15 . 1 1 39 39 ALA H H 39 7.958 7.958 8.067 -0.109 19203 5879 1 15 . 1 1 40 40 GLY N N 40 101.970 101.970 107.987 -6.017 19203 5880 1 15 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.950 -3.430 19203 5881 1 15 . 1 1 40 40 GLY H H 40 7.172 7.172 8.021 -0.849 19203 5882 1 15 . 1 1 41 41 ASP N N 41 116.412 116.412 120.808 -4.396 19203 5883 1 15 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.836 -0.385 19203 5884 1 15 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.119 0.129 19203 5885 1 15 . 1 1 41 41 ASP CB C 41 38.386 38.386 43.730 -5.344 19203 5886 1 15 . 1 1 41 41 ASP H H 41 7.917 7.917 8.348 -0.431 19203 5887 1 15 . 1 1 42 42 VAL N N 42 128.043 128.043 119.466 8.577 19203 5888 1 15 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.040 -0.014 19203 5889 1 15 . 1 1 42 42 VAL CA C 42 58.823 58.823 61.048 -2.225 19203 5890 1 15 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.479 -2.535 19203 5891 1 15 . 1 1 42 42 VAL H H 42 8.366 8.366 8.152 0.214 19203 5892 1 15 . 1 1 43 43 CYS N N 43 122.686 122.686 124.258 -1.572 19203 5893 1 15 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.610 0.169 19203 5894 1 15 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.988 -3.850 19203 5895 1 15 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.692 -3.037 19203 5896 1 15 . 1 1 43 43 CYS H H 43 8.800 8.800 8.393 0.407 19203 5897 1 15 . 1 1 44 44 TYR N N 44 122.582 122.582 121.563 1.019 19203 5898 1 15 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.661 -0.225 19203 5899 1 15 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.590 -1.802 19203 5900 1 15 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.858 -2.055 19203 5901 1 15 . 1 1 44 44 TYR H H 44 7.420 7.420 7.663 -0.243 19203 5902 1 15 . 1 1 45 45 ALA N N 45 127.108 127.108 128.590 -1.482 19203 5903 1 15 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.873 0.068 19203 5904 1 15 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.393 -3.358 19203 5905 1 15 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.119 -1.879 19203 5906 1 15 . 1 1 45 45 ALA H H 45 7.107 7.107 7.769 -0.662 19203 5907 1 15 . 1 1 46 46 ASP N N 46 117.612 117.612 121.270 -3.658 19203 5908 1 15 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.983 -0.360 19203 5909 1 15 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.473 -2.954 19203 5910 1 15 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.685 -2.892 19203 5911 1 15 . 1 1 46 46 ASP H H 46 8.463 8.463 8.735 -0.272 19203 5912 1 15 . 1 1 47 47 VAL N N 47 116.535 116.535 119.137 -2.602 19203 5913 1 15 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.358 -0.112 19203 5914 1 15 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.548 -2.491 19203 5915 1 15 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.335 -2.434 19203 5916 1 15 . 1 1 47 47 VAL H H 47 8.096 8.096 8.282 -0.186 19203 5917 1 15 . 1 1 48 48 TYR N N 48 124.428 124.428 117.430 6.998 19203 5918 1 15 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.936 0.007 19203 5919 1 15 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.625 -3.357 19203 5920 1 15 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.132 -2.947 19203 5921 1 15 . 1 1 48 48 TYR H H 48 8.673 8.673 7.400 1.273 19203 5922 1 15 . 1 1 49 49 ARG N N 49 117.750 117.750 121.711 -3.961 19203 5923 1 15 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.385 -0.196 19203 5924 1 15 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.881 -1.767 19203 5925 1 15 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.567 -1.857 19203 5926 1 15 . 1 1 49 49 ARG H H 49 8.520 8.520 8.806 -0.286 19203 5927 1 15 . 1 1 50 50 ASP N N 50 117.696 117.696 119.346 -1.650 19203 5928 1 15 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.768 -0.188 19203 5929 1 15 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.849 -3.673 19203 5930 1 15 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.550 -4.645 19203 5931 1 15 . 1 1 50 50 ASP H H 50 7.960 7.960 7.991 -0.031 19203 5932 1 15 . 1 1 51 51 GLY N N 51 108.367 108.367 109.144 -0.777 19203 5933 1 15 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.234 -1.671 19203 5934 1 15 . 1 1 51 51 GLY H H 51 8.053 8.053 7.839 0.214 19203 5935 1 15 . 1 1 52 52 THR N N 52 109.991 109.991 111.009 -1.018 19203 5936 1 15 . 1 1 52 52 THR HA H 52 5.497 5.497 4.923 0.574 19203 5937 1 15 . 1 1 52 52 THR CA C 52 57.040 57.040 59.015 -1.975 19203 5938 1 15 . 1 1 52 52 THR CB C 52 69.847 69.847 72.051 -2.204 19203 5939 1 15 . 1 1 52 52 THR H H 52 7.637 7.637 7.251 0.386 19203 5940 1 15 . 1 1 53 53 GLY N N 53 105.727 105.727 106.774 -1.047 19203 5941 1 15 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.139 -0.841 19203 5942 1 15 . 1 1 53 53 GLY H H 53 8.801 8.801 8.290 0.511 19203 5943 1 15 . 1 1 54 54 VAL N N 54 117.327 117.327 118.921 -1.594 19203 5944 1 15 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.673 0.684 19203 5945 1 15 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.701 -4.881 19203 5946 1 15 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.952 -2.229 19203 5947 1 15 . 1 1 54 54 VAL H H 54 8.585 8.585 9.124 -0.539 19203 5948 1 15 . 1 1 55 55 VAL N N 55 120.925 120.925 123.955 -3.030 19203 5949 1 15 . 1 1 55 55 VAL HA H 55 4.631 4.631 5.062 -0.431 19203 5950 1 15 . 1 1 55 55 VAL CA C 55 57.980 57.980 59.871 -1.891 19203 5951 1 15 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.350 -3.562 19203 5952 1 15 . 1 1 55 55 VAL H H 55 8.475 8.475 9.140 -0.665 19203 5953 1 15 . 1 1 56 56 GLU N N 56 123.932 123.932 121.206 2.726 19203 5954 1 15 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.011 -0.013 19203 5955 1 15 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.358 -3.998 19203 5956 1 15 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.379 -4.305 19203 5957 1 15 . 1 1 56 56 GLU H H 56 8.896 8.896 8.363 0.533 19203 5958 1 15 . 1 1 57 57 PHE N N 57 120.441 120.441 123.599 -3.158 19203 5959 1 15 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.773 0.216 19203 5960 1 15 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.351 -2.276 19203 5961 1 15 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.614 -1.334 19203 5962 1 15 . 1 1 57 57 PHE H H 57 8.549 8.549 9.170 -0.621 19203 5963 1 15 . 1 1 58 58 VAL N N 58 125.263 125.263 120.236 5.027 19203 5964 1 15 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.863 -0.291 19203 5965 1 15 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.259 -0.866 19203 5966 1 15 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.484 -2.923 19203 5967 1 15 . 1 1 58 58 VAL H H 58 8.123 8.123 8.246 -0.123 19203 5968 1 15 . 1 1 59 59 ARG N N 59 117.434 117.434 116.828 0.606 19203 5969 1 15 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.584 0.129 19203 5970 1 15 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.316 -2.275 19203 5971 1 15 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.824 -3.216 19203 5972 1 15 . 1 1 59 59 ARG H H 59 9.504 9.504 8.484 1.020 19203 5973 1 15 . 1 1 60 60 LYS N N 60 127.390 127.390 122.715 4.675 19203 5974 1 15 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.135 -0.509 19203 5975 1 15 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.971 -2.546 19203 5976 1 15 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.348 -2.708 19203 5977 1 15 . 1 1 60 60 LYS H H 60 8.955 8.955 8.856 0.099 19203 5978 1 15 . 1 1 61 61 GLU N N 61 117.610 117.610 118.901 -1.291 19203 5979 1 15 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.042 -0.069 19203 5980 1 15 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.894 -3.022 19203 5981 1 15 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.445 -2.354 19203 5982 1 15 . 1 1 61 61 GLU H H 61 9.814 9.814 8.871 0.943 19203 5983 1 15 . 1 1 62 62 ASP N N 62 121.439 121.439 120.697 0.742 19203 5984 1 15 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.519 -0.170 19203 5985 1 15 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.987 -3.564 19203 5986 1 15 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.629 -3.359 19203 5987 1 15 . 1 1 62 62 ASP H H 62 6.760 6.760 8.341 -1.581 19203 5988 1 15 . 1 1 63 63 MET N N 63 120.225 120.225 120.071 0.154 19203 5989 1 15 . 1 1 63 63 MET HA H 63 3.070 3.070 3.608 -0.538 19203 5990 1 15 . 1 1 63 63 MET CA C 63 56.211 56.211 58.601 -2.390 19203 5991 1 15 . 1 1 63 63 MET CB C 63 30.414 30.414 32.176 -1.762 19203 5992 1 15 . 1 1 63 63 MET H H 63 6.863 6.863 8.537 -1.674 19203 5993 1 15 . 1 1 64 64 THR N N 64 113.874 113.874 115.259 -1.385 19203 5994 1 15 . 1 1 64 64 THR HA H 64 3.663 3.663 3.955 -0.292 19203 5995 1 15 . 1 1 64 64 THR CA C 64 63.733 63.733 66.874 -3.140 19203 5996 1 15 . 1 1 64 64 THR CB C 64 65.692 65.692 68.564 -2.872 19203 5997 1 15 . 1 1 64 64 THR H H 64 7.900 7.900 8.240 -0.340 19203 5998 1 15 . 1 1 65 65 TYR N N 65 122.573 122.573 122.093 0.480 19203 5999 1 15 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.104 -0.099 19203 6000 1 15 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.669 -3.219 19203 6001 1 15 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.322 -2.624 19203 6002 1 15 . 1 1 65 65 TYR H H 65 7.530 7.530 8.262 -0.733 19203 6003 1 15 . 1 1 66 66 ALA N N 66 120.898 120.898 120.883 0.015 19203 6004 1 15 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.185 -0.547 19203 6005 1 15 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.107 -2.085 19203 6006 1 15 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.020 -1.438 19203 6007 1 15 . 1 1 66 66 ALA H H 66 8.144 8.144 7.732 0.412 19203 6008 1 15 . 1 1 67 67 VAL N N 67 115.474 115.474 115.846 -0.372 19203 6009 1 15 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.779 -0.463 19203 6010 1 15 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.572 -0.923 19203 6011 1 15 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.324 -1.862 19203 6012 1 15 . 1 1 67 67 VAL H H 67 7.602 7.602 7.561 0.041 19203 6013 1 15 . 1 1 68 68 ARG N N 68 116.635 116.635 118.498 -1.863 19203 6014 1 15 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.320 -0.278 19203 6015 1 15 . 1 1 68 68 ARG CA C 68 55.989 55.989 57.187 -1.198 19203 6016 1 15 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.434 -2.982 19203 6017 1 15 . 1 1 68 68 ARG H H 68 7.531 7.531 7.699 -0.168 19203 6018 1 15 . 1 1 69 69 LYS N N 69 115.566 115.566 116.214 -0.648 19203 6019 1 15 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.439 -0.218 19203 6020 1 15 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.483 -2.914 19203 6021 1 15 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.363 -3.370 19203 6022 1 15 . 1 1 69 69 LYS H H 69 8.664 8.664 8.279 0.385 19203 6023 1 15 . 1 1 70 70 LEU N N 70 114.943 114.943 120.236 -5.293 19203 6024 1 15 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.621 0.205 19203 6025 1 15 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.162 -3.676 19203 6026 1 15 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.560 -3.296 19203 6027 1 15 . 1 1 70 70 LEU H H 70 8.164 8.164 7.975 0.189 19203 6028 1 15 . 1 1 71 71 ASP N N 71 119.864 119.864 119.305 0.559 19203 6029 1 15 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.729 -0.337 19203 6030 1 15 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.393 0.791 19203 6031 1 15 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.741 -3.278 19203 6032 1 15 . 1 1 71 71 ASP H H 71 6.910 6.910 7.606 -0.696 19203 6033 1 15 . 1 1 72 72 ASN N N 72 123.602 123.602 118.123 5.479 19203 6034 1 15 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.602 0.079 19203 6035 1 15 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.391 -2.689 19203 6036 1 15 . 1 1 72 72 ASN CB C 72 35.060 35.060 38.056 -2.996 19203 6037 1 15 . 1 1 72 72 ASN H H 72 9.037 9.037 8.730 0.307 19203 6038 1 15 . 1 1 73 73 THR N N 73 105.063 105.063 110.033 -4.970 19203 6039 1 15 . 1 1 73 73 THR HA H 73 4.674 4.674 4.362 0.312 19203 6040 1 15 . 1 1 73 73 THR CA C 73 57.397 57.397 62.529 -5.132 19203 6041 1 15 . 1 1 73 73 THR CB C 73 70.412 70.412 70.543 -0.131 19203 6042 1 15 . 1 1 73 73 THR H H 73 7.187 7.187 7.849 -0.662 19203 6043 1 15 . 1 1 74 74 LYS N N 74 120.141 120.141 120.019 0.122 19203 6044 1 15 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.749 -1.093 19203 6045 1 15 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.349 -3.516 19203 6046 1 15 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.401 -4.496 19203 6047 1 15 . 1 1 74 74 LYS H H 74 8.384 8.384 8.254 0.130 19203 6048 1 15 . 1 1 75 75 PHE N N 75 132.829 132.829 119.077 13.752 19203 6049 1 15 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.066 0.250 19203 6050 1 15 . 1 1 75 75 PHE CA C 75 53.203 53.203 55.816 -2.613 19203 6051 1 15 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.750 -2.294 19203 6052 1 15 . 1 1 75 75 PHE H H 75 9.243 9.243 8.635 0.608 19203 6053 1 15 . 1 1 76 76 ARG N N 76 128.489 128.489 120.340 8.149 19203 6054 1 15 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.939 -0.141 19203 6055 1 15 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.024 -3.043 19203 6056 1 15 . 1 1 76 76 ARG CB C 76 30.374 30.374 33.723 -3.349 19203 6057 1 15 . 1 1 76 76 ARG H H 76 8.293 8.293 6.749 1.544 19203 6058 1 15 . 1 1 77 77 SER N N 77 120.971 120.971 114.438 6.533 19203 6059 1 15 . 1 1 77 77 SER HA H 77 4.278 4.278 4.768 -0.490 19203 6060 1 15 . 1 1 77 77 SER CA C 77 53.406 53.406 56.857 -3.451 19203 6061 1 15 . 1 1 77 77 SER CB C 77 63.802 63.802 66.019 -2.217 19203 6062 1 15 . 1 1 77 77 SER H H 77 9.107 9.107 8.355 0.752 19203 6063 1 15 . 1 1 78 78 HIS N N 78 118.463 118.463 120.847 -2.384 19203 6064 1 15 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.382 -0.007 19203 6065 1 15 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.881 -1.990 19203 6066 1 15 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.866 -5.627 19203 6067 1 15 . 1 1 78 78 HIS H H 78 9.696 9.696 8.668 1.028 19203 6068 1 15 . 1 1 79 79 GLU N N 79 116.714 116.714 118.073 -1.359 19203 6069 1 15 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.266 0.077 19203 6070 1 15 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.574 -3.634 19203 6071 1 15 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.852 -2.339 19203 6072 1 15 . 1 1 79 79 GLU H H 79 7.053 7.053 8.217 -1.164 19203 6073 1 15 . 1 1 80 80 GLY N N 80 108.106 108.106 108.408 -0.302 19203 6074 1 15 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.202 -2.565 19203 6075 1 15 . 1 1 80 80 GLY H H 80 7.835 7.835 7.907 -0.072 19203 6076 1 15 . 1 1 81 81 GLU N N 81 119.017 119.017 118.552 0.465 19203 6077 1 15 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.775 -0.441 19203 6078 1 15 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.494 -0.767 19203 6079 1 15 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.805 -2.328 19203 6080 1 15 . 1 1 81 81 GLU H H 81 7.067 7.067 7.735 -0.668 19203 6081 1 15 . 1 1 82 82 THR N N 82 114.312 114.312 111.921 2.391 19203 6082 1 15 . 1 1 82 82 THR HA H 82 5.771 5.771 5.011 0.760 19203 6083 1 15 . 1 1 82 82 THR CA C 82 56.694 56.694 61.008 -4.314 19203 6084 1 15 . 1 1 82 82 THR CB C 82 69.359 69.359 71.015 -1.656 19203 6085 1 15 . 1 1 82 82 THR H H 82 8.499 8.499 8.350 0.149 19203 6086 1 15 . 1 1 83 83 ALA N N 83 123.125 123.125 128.288 -5.163 19203 6087 1 15 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.651 -0.210 19203 6088 1 15 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.475 -1.378 19203 6089 1 15 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.247 0.252 19203 6090 1 15 . 1 1 83 83 ALA H H 83 8.674 8.674 7.948 0.726 19203 6091 1 15 . 1 1 84 84 TYR N N 84 120.587 120.587 116.628 3.959 19203 6092 1 15 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.448 -0.475 19203 6093 1 15 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.856 0.044 19203 6094 1 15 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.754 -3.602 19203 6095 1 15 . 1 1 84 84 TYR H H 84 8.708 8.708 8.189 0.519 19203 6096 1 15 . 1 1 85 85 ILE N N 85 116.081 116.081 114.377 1.704 19203 6097 1 15 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.968 -0.116 19203 6098 1 15 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.437 -1.508 19203 6099 1 15 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.069 -3.694 19203 6100 1 15 . 1 1 85 85 ILE H H 85 8.182 8.182 8.957 -0.775 19203 6101 1 15 . 1 1 86 86 ARG N N 86 117.289 117.289 119.321 -2.032 19203 6102 1 15 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.274 -0.037 19203 6103 1 15 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.508 -4.361 19203 6104 1 15 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.012 -6.539 19203 6105 1 15 . 1 1 86 86 ARG H H 86 8.250 8.250 8.549 -0.299 19203 6106 1 15 . 1 1 87 87 VAL N N 87 121.679 121.679 122.108 -0.429 19203 6107 1 15 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.830 -0.197 19203 6108 1 15 . 1 1 87 87 VAL CA C 87 58.639 58.639 60.166 -1.527 19203 6109 1 15 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.939 -1.310 19203 6110 1 15 . 1 1 87 87 VAL H H 87 8.983 8.983 9.165 -0.182 19203 6111 1 15 . 1 1 88 88 LYS N N 88 123.579 123.579 123.910 -0.331 19203 6112 1 15 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.726 0.027 19203 6113 1 15 . 1 1 88 88 LYS CA C 88 51.898 51.898 53.893 -1.995 19203 6114 1 15 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.574 -1.431 19203 6115 1 15 . 1 1 88 88 LYS H H 88 8.679 8.679 8.640 0.039 19203 6116 1 15 . 1 1 89 89 VAL N N 89 119.787 119.787 121.856 -2.069 19203 6117 1 15 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.726 0.399 19203 6118 1 15 . 1 1 89 89 VAL CA C 89 61.040 61.040 63.213 -2.173 19203 6119 1 15 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.886 -1.545 19203 6120 1 15 . 1 1 89 89 VAL H H 89 8.454 8.454 8.614 -0.160 19203 6121 1 16 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.200 -0.667 19203 6122 1 16 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.380 -3.495 19203 6123 1 16 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.531 -3.909 19203 6124 1 16 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.939 -0.113 19203 6125 1 16 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.716 -4.407 19203 6126 1 16 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.604 -4.812 19203 6127 1 16 . 1 1 4 4 ARG N N 4 121.678 121.678 116.846 4.832 19203 6128 1 16 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.352 -0.131 19203 6129 1 16 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.468 -1.893 19203 6130 1 16 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.356 -2.889 19203 6131 1 16 . 1 1 4 4 ARG H H 4 8.483 8.483 8.117 0.366 19203 6132 1 16 . 1 1 5 5 GLY N N 5 109.928 109.928 108.357 1.571 19203 6133 1 16 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.453 -2.785 19203 6134 1 16 . 1 1 5 5 GLY H H 5 8.344 8.344 8.404 -0.060 19203 6135 1 16 . 1 1 6 6 ARG N N 6 120.896 120.896 119.745 1.151 19203 6136 1 16 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.708 -0.566 19203 6137 1 16 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.304 -1.785 19203 6138 1 16 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.771 -3.553 19203 6139 1 16 . 1 1 6 6 ARG H H 6 8.144 8.144 7.785 0.359 19203 6140 1 16 . 1 1 7 7 TYR N N 7 121.118 121.118 121.809 -0.691 19203 6141 1 16 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.474 0.086 19203 6142 1 16 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.079 -3.274 19203 6143 1 16 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.219 -2.715 19203 6144 1 16 . 1 1 7 7 TYR H H 7 8.218 8.218 8.549 -0.331 19203 6145 1 16 . 1 1 8 8 GLY N N 8 110.613 110.613 109.957 0.656 19203 6146 1 16 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.535 -2.630 19203 6147 1 16 . 1 1 8 8 GLY H H 8 8.021 8.021 8.169 -0.148 19203 6148 1 16 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.697 -0.130 19203 6149 1 16 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.465 -2.665 19203 6150 1 16 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.297 -2.936 19203 6151 1 16 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.432 -0.068 19203 6152 1 16 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.238 -2.824 19203 6153 1 16 . 1 1 10 10 PRO CB C 10 29.467 29.467 31.190 -1.723 19203 6154 1 16 . 1 1 11 11 SER N N 11 116.042 116.042 121.149 -5.107 19203 6155 1 16 . 1 1 11 11 SER HA H 11 4.394 4.394 4.667 -0.273 19203 6156 1 16 . 1 1 11 11 SER CA C 11 55.641 55.641 57.779 -2.138 19203 6157 1 16 . 1 1 11 11 SER CB C 11 61.349 61.349 64.762 -3.413 19203 6158 1 16 . 1 1 11 11 SER H H 11 8.263 8.263 8.254 0.009 19203 6159 1 16 . 1 1 12 12 ARG N N 12 123.432 123.432 125.364 -1.932 19203 6160 1 16 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.412 -0.123 19203 6161 1 16 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.683 -2.372 19203 6162 1 16 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.555 -1.829 19203 6163 1 16 . 1 1 12 12 ARG H H 12 8.317 8.317 8.663 -0.346 19203 6164 1 16 . 1 1 13 13 ARG N N 13 119.550 119.550 119.466 0.084 19203 6165 1 16 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.178 -2.595 19203 6166 1 16 . 1 1 13 13 ARG H H 13 7.967 7.967 8.720 -0.753 19203 6167 1 16 . 1 1 14 14 SER N N 14 117.366 117.366 114.181 3.185 19203 6168 1 16 . 1 1 14 14 SER HA H 14 4.588 4.588 4.674 -0.086 19203 6169 1 16 . 1 1 14 14 SER CA C 14 54.505 54.505 57.518 -3.013 19203 6170 1 16 . 1 1 14 14 SER CB C 14 63.906 63.906 65.848 -1.942 19203 6171 1 16 . 1 1 14 14 SER H H 14 8.660 8.660 7.913 0.747 19203 6172 1 16 . 1 1 15 15 GLU N N 15 116.212 116.212 121.412 -5.200 19203 6173 1 16 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.223 0.089 19203 6174 1 16 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.574 -3.627 19203 6175 1 16 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.608 -1.501 19203 6176 1 16 . 1 1 15 15 GLU H H 15 8.472 8.472 8.825 -0.353 19203 6177 1 16 . 1 1 16 16 ASN N N 16 120.295 120.295 115.689 4.606 19203 6178 1 16 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.905 0.092 19203 6179 1 16 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.572 -2.641 19203 6180 1 16 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.240 -5.929 19203 6181 1 16 . 1 1 16 16 ASN H H 16 8.326 8.326 7.954 0.372 19203 6182 1 16 . 1 1 17 17 ARG N N 17 123.774 123.774 120.907 2.867 19203 6183 1 16 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.651 0.618 19203 6184 1 16 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.206 -2.366 19203 6185 1 16 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.220 -1.798 19203 6186 1 16 . 1 1 17 17 ARG H H 17 7.726 7.726 7.801 -0.075 19203 6187 1 16 . 1 1 18 18 VAL N N 18 117.634 117.634 120.552 -2.918 19203 6188 1 16 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.722 0.320 19203 6189 1 16 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.532 -3.442 19203 6190 1 16 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.133 -3.387 19203 6191 1 16 . 1 1 18 18 VAL H H 18 9.197 9.197 7.966 1.231 19203 6192 1 16 . 1 1 19 19 VAL N N 19 119.956 119.956 121.186 -1.230 19203 6193 1 16 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.534 0.391 19203 6194 1 16 . 1 1 19 19 VAL CA C 19 57.771 57.771 61.287 -3.516 19203 6195 1 16 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.271 -3.696 19203 6196 1 16 . 1 1 19 19 VAL H H 19 9.111 9.111 8.881 0.230 19203 6197 1 16 . 1 1 20 20 VAL N N 20 125.976 125.976 126.419 -0.443 19203 6198 1 16 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.958 0.411 19203 6199 1 16 . 1 1 20 20 VAL CA C 20 56.514 56.514 61.040 -4.526 19203 6200 1 16 . 1 1 20 20 VAL CB C 20 32.047 32.047 33.689 -1.642 19203 6201 1 16 . 1 1 20 20 VAL H H 20 8.678 8.678 8.948 -0.270 19203 6202 1 16 . 1 1 21 21 SER N N 21 117.905 117.905 118.209 -0.304 19203 6203 1 16 . 1 1 21 21 SER HA H 21 5.075 5.075 5.093 -0.018 19203 6204 1 16 . 1 1 21 21 SER CA C 21 54.228 54.228 56.514 -2.285 19203 6205 1 16 . 1 1 21 21 SER CB C 21 63.312 63.312 66.089 -2.777 19203 6206 1 16 . 1 1 21 21 SER H H 21 8.917 8.917 8.953 -0.036 19203 6207 1 16 . 1 1 22 22 GLY N N 22 108.144 108.144 108.679 -0.535 19203 6208 1 16 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.109 -2.644 19203 6209 1 16 . 1 1 22 22 GLY H H 22 8.079 8.079 8.508 -0.429 19203 6210 1 16 . 1 1 23 23 LEU N N 23 119.379 119.379 121.811 -2.432 19203 6211 1 16 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.118 -0.695 19203 6212 1 16 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.394 -2.521 19203 6213 1 16 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.555 -3.477 19203 6214 1 16 . 1 1 23 23 LEU H H 23 8.485 8.485 7.195 1.290 19203 6215 1 16 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.710 -2.811 19203 6216 1 16 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.320 -0.062 19203 6217 1 16 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.913 -2.154 19203 6218 1 16 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.932 -2.703 19203 6219 1 16 . 1 1 26 26 SER N N 26 106.249 106.249 112.619 -6.370 19203 6220 1 16 . 1 1 26 26 SER HA H 26 4.319 4.319 4.306 0.013 19203 6221 1 16 . 1 1 26 26 SER CA C 26 55.722 55.722 58.563 -2.841 19203 6222 1 16 . 1 1 26 26 SER CB C 26 61.171 61.171 62.929 -1.758 19203 6223 1 16 . 1 1 26 26 SER H H 26 7.309 7.309 8.493 -1.184 19203 6224 1 16 . 1 1 27 27 GLY N N 27 107.883 107.883 108.745 -0.862 19203 6225 1 16 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.829 -0.625 19203 6226 1 16 . 1 1 27 27 GLY H H 27 8.075 8.075 7.515 0.560 19203 6227 1 16 . 1 1 28 28 SER N N 28 123.917 123.917 117.333 6.584 19203 6228 1 16 . 1 1 28 28 SER HA H 28 4.903 4.903 4.861 0.042 19203 6229 1 16 . 1 1 28 28 SER CA C 28 53.260 53.260 56.093 -2.833 19203 6230 1 16 . 1 1 28 28 SER CB C 28 64.609 64.609 65.545 -0.936 19203 6231 1 16 . 1 1 28 28 SER H H 28 9.021 9.021 8.171 0.850 19203 6232 1 16 . 1 1 29 29 TRP N N 29 120.079 120.079 123.021 -2.942 19203 6233 1 16 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.328 -0.304 19203 6234 1 16 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.589 -2.525 19203 6235 1 16 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.975 -3.753 19203 6236 1 16 . 1 1 29 29 TRP H H 29 9.042 9.042 8.880 0.162 19203 6237 1 16 . 1 1 30 30 GLN N N 30 123.085 123.085 120.824 2.261 19203 6238 1 16 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.610 -0.416 19203 6239 1 16 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.314 -2.348 19203 6240 1 16 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.181 -2.497 19203 6241 1 16 . 1 1 30 30 GLN H H 30 7.587 7.587 7.132 0.455 19203 6242 1 16 . 1 1 31 31 ASP N N 31 120.127 120.127 119.297 0.830 19203 6243 1 16 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.287 -0.137 19203 6244 1 16 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.440 -3.105 19203 6245 1 16 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.567 -1.295 19203 6246 1 16 . 1 1 31 31 ASP H H 31 7.697 7.697 7.962 -0.265 19203 6247 1 16 . 1 1 32 32 LEU N N 32 122.010 122.010 120.754 1.256 19203 6248 1 16 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.401 -0.196 19203 6249 1 16 . 1 1 32 32 LEU CA C 32 55.539 55.539 57.945 -2.406 19203 6250 1 16 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.557 -2.556 19203 6251 1 16 . 1 1 32 32 LEU H H 32 8.260 8.260 8.496 -0.236 19203 6252 1 16 . 1 1 33 33 LYS N N 33 120.333 120.333 119.654 0.679 19203 6253 1 16 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.101 -0.589 19203 6254 1 16 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.806 -1.321 19203 6255 1 16 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.547 -2.908 19203 6256 1 16 . 1 1 33 33 LYS H H 33 8.506 8.506 8.495 0.011 19203 6257 1 16 . 1 1 34 34 ASP N N 34 117.666 117.666 116.159 1.507 19203 6258 1 16 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.645 -0.362 19203 6259 1 16 . 1 1 34 34 ASP CA C 34 54.882 54.882 55.521 -0.639 19203 6260 1 16 . 1 1 34 34 ASP CB C 34 37.540 37.540 40.959 -3.419 19203 6261 1 16 . 1 1 34 34 ASP H H 34 8.353 8.353 7.791 0.562 19203 6262 1 16 . 1 1 35 35 HIS N N 35 119.654 119.654 117.238 2.416 19203 6263 1 16 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.650 -0.543 19203 6264 1 16 . 1 1 35 35 HIS CA C 35 57.324 57.324 56.979 0.345 19203 6265 1 16 . 1 1 35 35 HIS CB C 35 30.265 30.265 33.039 -2.774 19203 6266 1 16 . 1 1 35 35 HIS H H 35 7.943 7.943 7.668 0.275 19203 6267 1 16 . 1 1 36 36 MET N N 36 111.628 111.628 122.300 -10.672 19203 6268 1 16 . 1 1 36 36 MET HA H 36 4.572 4.572 4.555 0.017 19203 6269 1 16 . 1 1 36 36 MET CA C 36 52.172 52.172 55.875 -3.703 19203 6270 1 16 . 1 1 36 36 MET CB C 36 31.060 31.060 31.934 -0.874 19203 6271 1 16 . 1 1 36 36 MET H H 36 7.812 7.812 8.346 -0.534 19203 6272 1 16 . 1 1 37 37 ARG N N 37 119.419 119.419 121.560 -2.141 19203 6273 1 16 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.682 -0.049 19203 6274 1 16 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.983 -0.576 19203 6275 1 16 . 1 1 37 37 ARG CB C 37 27.001 27.001 31.525 -4.524 19203 6276 1 16 . 1 1 37 37 ARG H H 37 7.929 7.929 8.575 -0.646 19203 6277 1 16 . 1 1 38 38 GLU N N 38 118.450 118.450 122.344 -3.894 19203 6278 1 16 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.283 -0.296 19203 6279 1 16 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.712 -2.125 19203 6280 1 16 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.846 -2.389 19203 6281 1 16 . 1 1 38 38 GLU H H 38 7.524 7.524 8.377 -0.853 19203 6282 1 16 . 1 1 39 39 ALA N N 39 118.496 118.496 118.015 0.481 19203 6283 1 16 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.700 -0.721 19203 6284 1 16 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.953 -1.727 19203 6285 1 16 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.581 -1.924 19203 6286 1 16 . 1 1 39 39 ALA H H 39 7.958 7.958 7.997 -0.039 19203 6287 1 16 . 1 1 40 40 GLY N N 40 101.970 101.970 106.611 -4.641 19203 6288 1 16 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.380 -2.860 19203 6289 1 16 . 1 1 40 40 GLY H H 40 7.172 7.172 7.592 -0.420 19203 6290 1 16 . 1 1 41 41 ASP N N 41 116.412 116.412 124.835 -8.423 19203 6291 1 16 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.726 -0.275 19203 6292 1 16 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.834 -1.586 19203 6293 1 16 . 1 1 41 41 ASP CB C 41 38.386 38.386 41.224 -2.838 19203 6294 1 16 . 1 1 41 41 ASP H H 41 7.917 7.917 8.652 -0.735 19203 6295 1 16 . 1 1 42 42 VAL N N 42 128.043 128.043 122.037 6.006 19203 6296 1 16 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.951 0.075 19203 6297 1 16 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.567 -1.744 19203 6298 1 16 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.209 -1.265 19203 6299 1 16 . 1 1 42 42 VAL H H 42 8.366 8.366 8.154 0.212 19203 6300 1 16 . 1 1 43 43 CYS N N 43 122.686 122.686 122.261 0.425 19203 6301 1 16 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.625 0.154 19203 6302 1 16 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.532 -3.394 19203 6303 1 16 . 1 1 43 43 CYS CB C 43 26.655 26.655 29.158 -2.503 19203 6304 1 16 . 1 1 43 43 CYS H H 43 8.800 8.800 8.798 0.002 19203 6305 1 16 . 1 1 44 44 TYR N N 44 122.582 122.582 120.016 2.566 19203 6306 1 16 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.488 -0.052 19203 6307 1 16 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.291 -2.502 19203 6308 1 16 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.536 -1.733 19203 6309 1 16 . 1 1 44 44 TYR H H 44 7.420 7.420 7.454 -0.034 19203 6310 1 16 . 1 1 45 45 ALA N N 45 127.108 127.108 127.686 -0.578 19203 6311 1 16 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.926 0.015 19203 6312 1 16 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.587 -3.552 19203 6313 1 16 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.967 -1.728 19203 6314 1 16 . 1 1 45 45 ALA H H 45 7.107 7.107 8.039 -0.932 19203 6315 1 16 . 1 1 46 46 ASP N N 46 117.612 117.612 122.761 -5.149 19203 6316 1 16 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.988 -0.365 19203 6317 1 16 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.499 -3.980 19203 6318 1 16 . 1 1 46 46 ASP CB C 46 41.793 41.793 43.676 -1.883 19203 6319 1 16 . 1 1 46 46 ASP H H 46 8.463 8.463 9.217 -0.754 19203 6320 1 16 . 1 1 47 47 VAL N N 47 116.535 116.535 124.912 -8.377 19203 6321 1 16 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.419 -0.173 19203 6322 1 16 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.031 -1.974 19203 6323 1 16 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.018 -2.117 19203 6324 1 16 . 1 1 47 47 VAL H H 47 8.096 8.096 8.324 -0.228 19203 6325 1 16 . 1 1 48 48 TYR N N 48 124.428 124.428 123.603 0.825 19203 6326 1 16 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.143 -0.200 19203 6327 1 16 . 1 1 48 48 TYR CA C 48 53.268 53.268 55.639 -2.371 19203 6328 1 16 . 1 1 48 48 TYR CB C 48 36.185 36.185 40.199 -4.014 19203 6329 1 16 . 1 1 48 48 TYR H H 48 8.673 8.673 8.037 0.636 19203 6330 1 16 . 1 1 49 49 ARG N N 49 117.750 117.750 120.756 -3.006 19203 6331 1 16 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.278 -0.089 19203 6332 1 16 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.789 -1.675 19203 6333 1 16 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.974 -2.264 19203 6334 1 16 . 1 1 49 49 ARG H H 49 8.520 8.520 8.868 -0.348 19203 6335 1 16 . 1 1 50 50 ASP N N 50 117.696 117.696 119.381 -1.685 19203 6336 1 16 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.814 -0.234 19203 6337 1 16 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.692 -3.516 19203 6338 1 16 . 1 1 50 50 ASP CB C 50 37.905 37.905 41.232 -3.327 19203 6339 1 16 . 1 1 50 50 ASP H H 50 7.960 7.960 7.983 -0.023 19203 6340 1 16 . 1 1 51 51 GLY N N 51 108.367 108.367 108.744 -0.377 19203 6341 1 16 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.736 -2.173 19203 6342 1 16 . 1 1 51 51 GLY H H 51 8.053 8.053 7.852 0.201 19203 6343 1 16 . 1 1 52 52 THR N N 52 109.991 109.991 111.273 -1.282 19203 6344 1 16 . 1 1 52 52 THR HA H 52 5.497 5.497 5.029 0.468 19203 6345 1 16 . 1 1 52 52 THR CA C 52 57.040 57.040 59.578 -2.538 19203 6346 1 16 . 1 1 52 52 THR CB C 52 69.847 69.847 72.403 -2.556 19203 6347 1 16 . 1 1 52 52 THR H H 52 7.637 7.637 7.058 0.579 19203 6348 1 16 . 1 1 53 53 GLY N N 53 105.727 105.727 107.121 -1.394 19203 6349 1 16 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.971 -1.673 19203 6350 1 16 . 1 1 53 53 GLY H H 53 8.801 8.801 8.389 0.412 19203 6351 1 16 . 1 1 54 54 VAL N N 54 117.327 117.327 120.080 -2.753 19203 6352 1 16 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.641 0.716 19203 6353 1 16 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.313 -4.493 19203 6354 1 16 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.537 -2.814 19203 6355 1 16 . 1 1 54 54 VAL H H 54 8.585 8.585 9.051 -0.466 19203 6356 1 16 . 1 1 55 55 VAL N N 55 120.925 120.925 121.503 -0.578 19203 6357 1 16 . 1 1 55 55 VAL HA H 55 4.631 4.631 5.055 -0.424 19203 6358 1 16 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.473 -2.493 19203 6359 1 16 . 1 1 55 55 VAL CB C 55 32.788 32.788 37.003 -4.215 19203 6360 1 16 . 1 1 55 55 VAL H H 55 8.475 8.475 9.154 -0.679 19203 6361 1 16 . 1 1 56 56 GLU N N 56 123.932 123.932 120.537 3.395 19203 6362 1 16 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.741 0.257 19203 6363 1 16 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.424 -4.065 19203 6364 1 16 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.005 -3.931 19203 6365 1 16 . 1 1 56 56 GLU H H 56 8.896 8.896 8.257 0.639 19203 6366 1 16 . 1 1 57 57 PHE N N 57 120.441 120.441 124.731 -4.290 19203 6367 1 16 . 1 1 57 57 PHE HA H 57 4.989 4.989 5.056 -0.067 19203 6368 1 16 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.433 -2.358 19203 6369 1 16 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.934 -1.655 19203 6370 1 16 . 1 1 57 57 PHE H H 57 8.549 8.549 9.245 -0.696 19203 6371 1 16 . 1 1 58 58 VAL N N 58 125.263 125.263 118.375 6.888 19203 6372 1 16 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.981 -0.409 19203 6373 1 16 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.591 -0.198 19203 6374 1 16 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.397 -2.836 19203 6375 1 16 . 1 1 58 58 VAL H H 58 8.123 8.123 8.548 -0.425 19203 6376 1 16 . 1 1 59 59 ARG N N 59 117.434 117.434 116.973 0.461 19203 6377 1 16 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.507 0.206 19203 6378 1 16 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.935 -2.894 19203 6379 1 16 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.187 -3.579 19203 6380 1 16 . 1 1 59 59 ARG H H 59 9.504 9.504 7.627 1.877 19203 6381 1 16 . 1 1 60 60 LYS N N 60 127.390 127.390 123.559 3.831 19203 6382 1 16 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.007 -0.381 19203 6383 1 16 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.428 -2.003 19203 6384 1 16 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.419 -2.779 19203 6385 1 16 . 1 1 60 60 LYS H H 60 8.955 8.955 8.871 0.084 19203 6386 1 16 . 1 1 61 61 GLU N N 61 117.610 117.610 117.982 -0.372 19203 6387 1 16 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.032 -0.059 19203 6388 1 16 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.084 -3.212 19203 6389 1 16 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.200 -3.109 19203 6390 1 16 . 1 1 61 61 GLU H H 61 9.814 9.814 8.849 0.965 19203 6391 1 16 . 1 1 62 62 ASP N N 62 121.439 121.439 119.862 1.577 19203 6392 1 16 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.614 -0.265 19203 6393 1 16 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.507 -3.084 19203 6394 1 16 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.748 -3.478 19203 6395 1 16 . 1 1 62 62 ASP H H 62 6.760 6.760 7.671 -0.911 19203 6396 1 16 . 1 1 63 63 MET N N 63 120.225 120.225 120.210 0.015 19203 6397 1 16 . 1 1 63 63 MET HA H 63 3.070 3.070 2.981 0.089 19203 6398 1 16 . 1 1 63 63 MET CA C 63 56.211 56.211 58.562 -2.351 19203 6399 1 16 . 1 1 63 63 MET CB C 63 30.414 30.414 32.060 -1.646 19203 6400 1 16 . 1 1 63 63 MET H H 63 6.863 6.863 8.020 -1.157 19203 6401 1 16 . 1 1 64 64 THR N N 64 113.874 113.874 114.456 -0.582 19203 6402 1 16 . 1 1 64 64 THR HA H 64 3.663 3.663 3.877 -0.214 19203 6403 1 16 . 1 1 64 64 THR CA C 64 63.733 63.733 66.211 -2.478 19203 6404 1 16 . 1 1 64 64 THR CB C 64 65.692 65.692 68.729 -3.037 19203 6405 1 16 . 1 1 64 64 THR H H 64 7.900 7.900 8.218 -0.318 19203 6406 1 16 . 1 1 65 65 TYR N N 65 122.573 122.573 123.097 -0.524 19203 6407 1 16 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.020 -0.015 19203 6408 1 16 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.289 -2.839 19203 6409 1 16 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.218 -2.520 19203 6410 1 16 . 1 1 65 65 TYR H H 65 7.530 7.530 8.007 -0.477 19203 6411 1 16 . 1 1 66 66 ALA N N 66 120.898 120.898 121.413 -0.515 19203 6412 1 16 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.044 -0.406 19203 6413 1 16 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.293 -2.271 19203 6414 1 16 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.780 -1.198 19203 6415 1 16 . 1 1 66 66 ALA H H 66 8.144 8.144 8.238 -0.094 19203 6416 1 16 . 1 1 67 67 VAL N N 67 115.474 115.474 115.963 -0.489 19203 6417 1 16 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.765 -0.449 19203 6418 1 16 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.913 -1.264 19203 6419 1 16 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.644 -2.182 19203 6420 1 16 . 1 1 67 67 VAL H H 67 7.602 7.602 7.492 0.110 19203 6421 1 16 . 1 1 68 68 ARG N N 68 116.635 116.635 118.307 -1.672 19203 6422 1 16 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.156 -0.114 19203 6423 1 16 . 1 1 68 68 ARG CA C 68 55.989 55.989 57.538 -1.548 19203 6424 1 16 . 1 1 68 68 ARG CB C 68 28.452 28.452 30.129 -1.677 19203 6425 1 16 . 1 1 68 68 ARG H H 68 7.531 7.531 7.489 0.042 19203 6426 1 16 . 1 1 69 69 LYS N N 69 115.566 115.566 115.398 0.168 19203 6427 1 16 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.339 -0.118 19203 6428 1 16 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.455 -2.886 19203 6429 1 16 . 1 1 69 69 LYS CB C 69 30.993 30.993 33.649 -2.656 19203 6430 1 16 . 1 1 69 69 LYS H H 69 8.664 8.664 8.040 0.624 19203 6431 1 16 . 1 1 70 70 LEU N N 70 114.943 114.943 120.881 -5.938 19203 6432 1 16 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.543 0.283 19203 6433 1 16 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.278 -2.792 19203 6434 1 16 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.682 -3.417 19203 6435 1 16 . 1 1 70 70 LEU H H 70 8.164 8.164 7.835 0.329 19203 6436 1 16 . 1 1 71 71 ASP N N 71 119.864 119.864 118.323 1.541 19203 6437 1 16 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.604 -0.212 19203 6438 1 16 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.835 -0.651 19203 6439 1 16 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.438 -2.975 19203 6440 1 16 . 1 1 71 71 ASP H H 71 6.910 6.910 7.723 -0.813 19203 6441 1 16 . 1 1 72 72 ASN N N 72 123.602 123.602 119.813 3.789 19203 6442 1 16 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.610 0.071 19203 6443 1 16 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.767 -3.065 19203 6444 1 16 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.971 -2.911 19203 6445 1 16 . 1 1 72 72 ASN H H 72 9.037 9.037 8.448 0.589 19203 6446 1 16 . 1 1 73 73 THR N N 73 105.063 105.063 109.567 -4.504 19203 6447 1 16 . 1 1 73 73 THR HA H 73 4.674 4.674 4.533 0.141 19203 6448 1 16 . 1 1 73 73 THR CA C 73 57.397 57.397 61.614 -4.217 19203 6449 1 16 . 1 1 73 73 THR CB C 73 70.412 70.412 70.275 0.137 19203 6450 1 16 . 1 1 73 73 THR H H 73 7.187 7.187 7.750 -0.563 19203 6451 1 16 . 1 1 74 74 LYS N N 74 120.141 120.141 122.110 -1.969 19203 6452 1 16 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.673 -1.017 19203 6453 1 16 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.342 -2.509 19203 6454 1 16 . 1 1 74 74 LYS CB C 74 29.905 29.905 33.802 -3.897 19203 6455 1 16 . 1 1 74 74 LYS H H 74 8.384 8.384 8.514 -0.130 19203 6456 1 16 . 1 1 75 75 PHE N N 75 132.829 132.829 123.952 8.877 19203 6457 1 16 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.387 -0.071 19203 6458 1 16 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.453 -3.250 19203 6459 1 16 . 1 1 75 75 PHE CB C 75 40.456 40.456 41.903 -1.447 19203 6460 1 16 . 1 1 75 75 PHE H H 75 9.243 9.243 8.926 0.317 19203 6461 1 16 . 1 1 76 76 ARG N N 76 128.489 128.489 118.151 10.338 19203 6462 1 16 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.656 0.142 19203 6463 1 16 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.477 -3.496 19203 6464 1 16 . 1 1 76 76 ARG CB C 76 30.374 30.374 33.443 -3.069 19203 6465 1 16 . 1 1 76 76 ARG H H 76 8.293 8.293 6.450 1.843 19203 6466 1 16 . 1 1 77 77 SER N N 77 120.971 120.971 114.280 6.691 19203 6467 1 16 . 1 1 77 77 SER HA H 77 4.278 4.278 4.968 -0.690 19203 6468 1 16 . 1 1 77 77 SER CA C 77 53.406 53.406 56.559 -3.152 19203 6469 1 16 . 1 1 77 77 SER CB C 77 63.802 63.802 66.481 -2.679 19203 6470 1 16 . 1 1 77 77 SER H H 77 9.107 9.107 8.147 0.960 19203 6471 1 16 . 1 1 78 78 HIS N N 78 118.463 118.463 122.282 -3.819 19203 6472 1 16 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.467 -0.092 19203 6473 1 16 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.085 -1.194 19203 6474 1 16 . 1 1 78 78 HIS CB C 78 24.239 24.239 28.597 -4.358 19203 6475 1 16 . 1 1 78 78 HIS H H 78 9.696 9.696 9.291 0.405 19203 6476 1 16 . 1 1 79 79 GLU N N 79 116.714 116.714 118.970 -2.256 19203 6477 1 16 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.388 -0.045 19203 6478 1 16 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.262 -2.322 19203 6479 1 16 . 1 1 79 79 GLU CB C 79 27.513 27.513 30.702 -3.189 19203 6480 1 16 . 1 1 79 79 GLU H H 79 7.053 7.053 7.731 -0.678 19203 6481 1 16 . 1 1 80 80 GLY N N 80 108.106 108.106 108.480 -0.374 19203 6482 1 16 . 1 1 80 80 GLY CA C 80 42.637 42.637 46.157 -3.519 19203 6483 1 16 . 1 1 80 80 GLY H H 80 7.835 7.835 7.928 -0.093 19203 6484 1 16 . 1 1 81 81 GLU N N 81 119.017 119.017 117.970 1.047 19203 6485 1 16 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.753 -0.419 19203 6486 1 16 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.833 -1.106 19203 6487 1 16 . 1 1 81 81 GLU CB C 81 29.478 29.478 32.705 -3.227 19203 6488 1 16 . 1 1 81 81 GLU H H 81 7.067 7.067 7.708 -0.641 19203 6489 1 16 . 1 1 82 82 THR N N 82 114.312 114.312 111.410 2.902 19203 6490 1 16 . 1 1 82 82 THR HA H 82 5.771 5.771 4.531 1.240 19203 6491 1 16 . 1 1 82 82 THR CA C 82 56.694 56.694 60.426 -3.732 19203 6492 1 16 . 1 1 82 82 THR CB C 82 69.359 69.359 71.654 -2.295 19203 6493 1 16 . 1 1 82 82 THR H H 82 8.499 8.499 8.117 0.382 19203 6494 1 16 . 1 1 83 83 ALA N N 83 123.125 123.125 125.312 -2.187 19203 6495 1 16 . 1 1 83 83 ALA HA H 83 4.441 4.441 5.047 -0.606 19203 6496 1 16 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.656 -1.559 19203 6497 1 16 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.497 0.002 19203 6498 1 16 . 1 1 83 83 ALA H H 83 8.674 8.674 8.243 0.431 19203 6499 1 16 . 1 1 84 84 TYR N N 84 120.587 120.587 117.118 3.469 19203 6500 1 16 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.599 -0.626 19203 6501 1 16 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.424 0.476 19203 6502 1 16 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.469 -4.317 19203 6503 1 16 . 1 1 84 84 TYR H H 84 8.708 8.708 8.443 0.265 19203 6504 1 16 . 1 1 85 85 ILE N N 85 116.081 116.081 114.865 1.216 19203 6505 1 16 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.095 -0.243 19203 6506 1 16 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.304 -1.375 19203 6507 1 16 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.245 -3.870 19203 6508 1 16 . 1 1 85 85 ILE H H 85 8.182 8.182 9.088 -0.906 19203 6509 1 16 . 1 1 86 86 ARG N N 86 117.289 117.289 120.196 -2.907 19203 6510 1 16 . 1 1 86 86 ARG HA H 86 5.237 5.237 5.214 0.023 19203 6511 1 16 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.394 -4.247 19203 6512 1 16 . 1 1 86 86 ARG CB C 86 27.473 27.473 33.361 -5.888 19203 6513 1 16 . 1 1 86 86 ARG H H 86 8.250 8.250 8.610 -0.359 19203 6514 1 16 . 1 1 87 87 VAL N N 87 121.679 121.679 124.284 -2.605 19203 6515 1 16 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.734 -0.101 19203 6516 1 16 . 1 1 87 87 VAL CA C 87 58.639 58.639 61.435 -2.796 19203 6517 1 16 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.114 -0.485 19203 6518 1 16 . 1 1 87 87 VAL H H 87 8.983 8.983 9.287 -0.304 19203 6519 1 16 . 1 1 88 88 LYS N N 88 123.579 123.579 126.036 -2.457 19203 6520 1 16 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.785 -0.032 19203 6521 1 16 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.352 -2.454 19203 6522 1 16 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.475 -1.333 19203 6523 1 16 . 1 1 88 88 LYS H H 88 8.679 8.679 8.784 -0.105 19203 6524 1 16 . 1 1 89 89 VAL N N 89 119.787 119.787 119.997 -0.210 19203 6525 1 16 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.068 0.057 19203 6526 1 16 . 1 1 89 89 VAL CA C 89 61.040 61.040 61.471 -0.431 19203 6527 1 16 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.583 -2.242 19203 6528 1 16 . 1 1 89 89 VAL H H 89 8.454 8.454 8.489 -0.035 19203 6529 1 17 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.291 -0.758 19203 6530 1 17 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.086 -3.201 19203 6531 1 17 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.227 -4.605 19203 6532 1 17 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.959 -0.133 19203 6533 1 17 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.685 -4.376 19203 6534 1 17 . 1 1 3 3 PRO CB C 3 27.792 27.792 33.234 -5.442 19203 6535 1 17 . 1 1 4 4 ARG N N 4 121.678 121.678 117.417 4.261 19203 6536 1 17 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.515 -0.294 19203 6537 1 17 . 1 1 4 4 ARG CA C 4 53.575 53.575 56.541 -2.966 19203 6538 1 17 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.887 -3.420 19203 6539 1 17 . 1 1 4 4 ARG H H 4 8.483 8.483 8.848 -0.365 19203 6540 1 17 . 1 1 5 5 GLY N N 5 109.928 109.928 109.003 0.925 19203 6541 1 17 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.115 -2.447 19203 6542 1 17 . 1 1 5 5 GLY H H 5 8.344 8.344 7.914 0.430 19203 6543 1 17 . 1 1 6 6 ARG N N 6 120.896 120.896 120.305 0.591 19203 6544 1 17 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.824 -0.682 19203 6545 1 17 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.883 -2.364 19203 6546 1 17 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.537 -3.319 19203 6547 1 17 . 1 1 6 6 ARG H H 6 8.144 8.144 8.237 -0.093 19203 6548 1 17 . 1 1 7 7 TYR N N 7 121.118 121.118 123.795 -2.677 19203 6549 1 17 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.604 -0.044 19203 6550 1 17 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.302 -2.497 19203 6551 1 17 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.754 -4.250 19203 6552 1 17 . 1 1 7 7 TYR H H 7 8.218 8.218 8.326 -0.108 19203 6553 1 17 . 1 1 8 8 GLY N N 8 110.613 110.613 110.066 0.547 19203 6554 1 17 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.864 -1.959 19203 6555 1 17 . 1 1 8 8 GLY H H 8 8.021 8.021 7.417 0.604 19203 6556 1 17 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.512 0.055 19203 6557 1 17 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.316 -2.516 19203 6558 1 17 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.307 -2.946 19203 6559 1 17 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.449 -0.085 19203 6560 1 17 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.394 -2.980 19203 6561 1 17 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.208 -0.741 19203 6562 1 17 . 1 1 11 11 SER N N 11 116.042 116.042 117.668 -1.626 19203 6563 1 17 . 1 1 11 11 SER HA H 11 4.394 4.394 4.688 -0.294 19203 6564 1 17 . 1 1 11 11 SER CA C 11 55.641 55.641 57.151 -1.510 19203 6565 1 17 . 1 1 11 11 SER CB C 11 61.349 61.349 64.761 -3.412 19203 6566 1 17 . 1 1 11 11 SER H H 11 8.263 8.263 8.086 0.177 19203 6567 1 17 . 1 1 12 12 ARG N N 12 123.432 123.432 121.247 2.185 19203 6568 1 17 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.369 -0.080 19203 6569 1 17 . 1 1 12 12 ARG CA C 12 53.311 53.311 57.076 -3.765 19203 6570 1 17 . 1 1 12 12 ARG CB C 12 28.726 28.726 30.909 -2.183 19203 6571 1 17 . 1 1 12 12 ARG H H 12 8.317 8.317 8.417 -0.100 19203 6572 1 17 . 1 1 13 13 ARG N N 13 119.550 119.550 121.366 -1.816 19203 6573 1 17 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.600 -3.017 19203 6574 1 17 . 1 1 13 13 ARG H H 13 7.967 7.967 8.744 -0.777 19203 6575 1 17 . 1 1 14 14 SER N N 14 117.366 117.366 113.968 3.398 19203 6576 1 17 . 1 1 14 14 SER HA H 14 4.588 4.588 4.658 -0.070 19203 6577 1 17 . 1 1 14 14 SER CA C 14 54.505 54.505 57.394 -2.889 19203 6578 1 17 . 1 1 14 14 SER CB C 14 63.906 63.906 65.469 -1.563 19203 6579 1 17 . 1 1 14 14 SER H H 14 8.660 8.660 7.968 0.692 19203 6580 1 17 . 1 1 15 15 GLU N N 15 116.212 116.212 123.742 -7.530 19203 6581 1 17 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.281 0.031 19203 6582 1 17 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.343 -3.396 19203 6583 1 17 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.461 -0.354 19203 6584 1 17 . 1 1 15 15 GLU H H 15 8.472 8.472 8.880 -0.408 19203 6585 1 17 . 1 1 16 16 ASN N N 16 120.295 120.295 115.999 4.296 19203 6586 1 17 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.894 0.103 19203 6587 1 17 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.649 -2.718 19203 6588 1 17 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.447 -6.136 19203 6589 1 17 . 1 1 16 16 ASN H H 16 8.326 8.326 8.559 -0.233 19203 6590 1 17 . 1 1 17 17 ARG N N 17 123.774 123.774 120.270 3.504 19203 6591 1 17 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.739 0.530 19203 6592 1 17 . 1 1 17 17 ARG CA C 17 52.840 52.840 54.994 -2.154 19203 6593 1 17 . 1 1 17 17 ARG CB C 17 31.422 31.422 34.141 -2.719 19203 6594 1 17 . 1 1 17 17 ARG H H 17 7.726 7.726 7.531 0.195 19203 6595 1 17 . 1 1 18 18 VAL N N 18 117.634 117.634 118.152 -0.518 19203 6596 1 17 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.070 -0.028 19203 6597 1 17 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.382 -3.292 19203 6598 1 17 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.456 -3.710 19203 6599 1 17 . 1 1 18 18 VAL H H 18 9.197 9.197 8.962 0.235 19203 6600 1 17 . 1 1 19 19 VAL N N 19 119.956 119.956 118.358 1.598 19203 6601 1 17 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.687 0.238 19203 6602 1 17 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.574 -2.803 19203 6603 1 17 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.073 -3.498 19203 6604 1 17 . 1 1 19 19 VAL H H 19 9.111 9.111 8.508 0.603 19203 6605 1 17 . 1 1 20 20 VAL N N 20 125.976 125.976 125.652 0.324 19203 6606 1 17 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.974 0.395 19203 6607 1 17 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.255 -3.740 19203 6608 1 17 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.137 -2.090 19203 6609 1 17 . 1 1 20 20 VAL H H 20 8.678 8.678 8.370 0.308 19203 6610 1 17 . 1 1 21 21 SER N N 21 117.905 117.905 115.697 2.208 19203 6611 1 17 . 1 1 21 21 SER HA H 21 5.075 5.075 4.986 0.089 19203 6612 1 17 . 1 1 21 21 SER CA C 21 54.228 54.228 57.166 -2.938 19203 6613 1 17 . 1 1 21 21 SER CB C 21 63.312 63.312 66.324 -3.012 19203 6614 1 17 . 1 1 21 21 SER H H 21 8.917 8.917 8.525 0.392 19203 6615 1 17 . 1 1 22 22 GLY N N 22 108.144 108.144 108.702 -0.558 19203 6616 1 17 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.845 -2.380 19203 6617 1 17 . 1 1 22 22 GLY H H 22 8.079 8.079 8.763 -0.684 19203 6618 1 17 . 1 1 23 23 LEU N N 23 119.379 119.379 122.081 -2.702 19203 6619 1 17 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.259 -0.836 19203 6620 1 17 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.699 -2.825 19203 6621 1 17 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.365 -3.287 19203 6622 1 17 . 1 1 23 23 LEU H H 23 8.485 8.485 7.498 0.987 19203 6623 1 17 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.641 -2.742 19203 6624 1 17 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.385 -0.127 19203 6625 1 17 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.648 -1.889 19203 6626 1 17 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.741 -2.512 19203 6627 1 17 . 1 1 26 26 SER N N 26 106.249 106.249 114.639 -8.390 19203 6628 1 17 . 1 1 26 26 SER HA H 26 4.319 4.319 4.671 -0.352 19203 6629 1 17 . 1 1 26 26 SER CA C 26 55.722 55.722 58.070 -2.348 19203 6630 1 17 . 1 1 26 26 SER CB C 26 61.171 61.171 63.174 -2.003 19203 6631 1 17 . 1 1 26 26 SER H H 26 7.309 7.309 7.895 -0.586 19203 6632 1 17 . 1 1 27 27 GLY N N 27 107.883 107.883 110.339 -2.456 19203 6633 1 17 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.462 -0.258 19203 6634 1 17 . 1 1 27 27 GLY H H 27 8.075 8.075 8.528 -0.453 19203 6635 1 17 . 1 1 28 28 SER N N 28 123.917 123.917 118.485 5.432 19203 6636 1 17 . 1 1 28 28 SER HA H 28 4.903 4.903 4.488 0.415 19203 6637 1 17 . 1 1 28 28 SER CA C 28 53.260 53.260 57.257 -3.997 19203 6638 1 17 . 1 1 28 28 SER CB C 28 64.609 64.609 64.270 0.339 19203 6639 1 17 . 1 1 28 28 SER H H 28 9.021 9.021 7.732 1.289 19203 6640 1 17 . 1 1 29 29 TRP N N 29 120.079 120.079 123.876 -3.797 19203 6641 1 17 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.234 -0.210 19203 6642 1 17 . 1 1 29 29 TRP CA C 29 58.064 58.064 60.029 -1.965 19203 6643 1 17 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.684 -3.462 19203 6644 1 17 . 1 1 29 29 TRP H H 29 9.042 9.042 8.664 0.378 19203 6645 1 17 . 1 1 30 30 GLN N N 30 123.085 123.085 121.182 1.903 19203 6646 1 17 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.002 -0.808 19203 6647 1 17 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.294 -2.328 19203 6648 1 17 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.827 -3.143 19203 6649 1 17 . 1 1 30 30 GLN H H 30 7.587 7.587 7.535 0.052 19203 6650 1 17 . 1 1 31 31 ASP N N 31 120.127 120.127 120.462 -0.335 19203 6651 1 17 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.510 -0.360 19203 6652 1 17 . 1 1 31 31 ASP CA C 31 54.335 54.335 56.995 -2.660 19203 6653 1 17 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.645 -1.373 19203 6654 1 17 . 1 1 31 31 ASP H H 31 7.697 7.697 7.849 -0.152 19203 6655 1 17 . 1 1 32 32 LEU N N 32 122.010 122.010 121.916 0.094 19203 6656 1 17 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.443 -0.238 19203 6657 1 17 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.314 -2.775 19203 6658 1 17 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.754 -2.753 19203 6659 1 17 . 1 1 32 32 LEU H H 32 8.260 8.260 8.320 -0.060 19203 6660 1 17 . 1 1 33 33 LYS N N 33 120.333 120.333 119.206 1.127 19203 6661 1 17 . 1 1 33 33 LYS HA H 33 3.512 3.512 3.972 -0.460 19203 6662 1 17 . 1 1 33 33 LYS CA C 33 58.485 58.485 60.020 -1.536 19203 6663 1 17 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.331 -2.692 19203 6664 1 17 . 1 1 33 33 LYS H H 33 8.506 8.506 8.480 0.026 19203 6665 1 17 . 1 1 34 34 ASP N N 34 117.666 117.666 116.421 1.245 19203 6666 1 17 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.471 -0.188 19203 6667 1 17 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.626 -1.744 19203 6668 1 17 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.246 -3.706 19203 6669 1 17 . 1 1 34 34 ASP H H 34 8.353 8.353 7.817 0.536 19203 6670 1 17 . 1 1 35 35 HIS N N 35 119.654 119.654 115.801 3.853 19203 6671 1 17 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.547 -0.440 19203 6672 1 17 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.250 -0.926 19203 6673 1 17 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.163 -0.898 19203 6674 1 17 . 1 1 35 35 HIS H H 35 7.943 7.943 7.878 0.065 19203 6675 1 17 . 1 1 36 36 MET N N 36 111.628 111.628 119.829 -8.201 19203 6676 1 17 . 1 1 36 36 MET HA H 36 4.572 4.572 3.804 0.768 19203 6677 1 17 . 1 1 36 36 MET CA C 36 52.172 52.172 56.622 -4.450 19203 6678 1 17 . 1 1 36 36 MET CB C 36 31.060 31.060 32.321 -1.261 19203 6679 1 17 . 1 1 36 36 MET H H 36 7.812 7.812 8.251 -0.439 19203 6680 1 17 . 1 1 37 37 ARG N N 37 119.419 119.419 118.554 0.865 19203 6681 1 17 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.145 0.488 19203 6682 1 17 . 1 1 37 37 ARG CA C 37 55.407 55.407 57.530 -2.123 19203 6683 1 17 . 1 1 37 37 ARG CB C 37 27.001 27.001 28.069 -1.068 19203 6684 1 17 . 1 1 37 37 ARG H H 37 7.929 7.929 7.771 0.158 19203 6685 1 17 . 1 1 38 38 GLU N N 38 118.450 118.450 119.768 -1.318 19203 6686 1 17 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.304 -0.317 19203 6687 1 17 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.709 -2.122 19203 6688 1 17 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.731 -2.274 19203 6689 1 17 . 1 1 38 38 GLU H H 38 7.524 7.524 7.934 -0.410 19203 6690 1 17 . 1 1 39 39 ALA N N 39 118.496 118.496 118.328 0.168 19203 6691 1 17 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.804 -0.825 19203 6692 1 17 . 1 1 39 39 ALA CA C 39 50.226 50.226 51.825 -1.599 19203 6693 1 17 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.909 -2.252 19203 6694 1 17 . 1 1 39 39 ALA H H 39 7.958 7.958 7.449 0.509 19203 6695 1 17 . 1 1 40 40 GLY N N 40 101.970 101.970 105.808 -3.838 19203 6696 1 17 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.114 -2.594 19203 6697 1 17 . 1 1 40 40 GLY H H 40 7.172 7.172 7.301 -0.129 19203 6698 1 17 . 1 1 41 41 ASP N N 41 116.412 116.412 120.658 -4.246 19203 6699 1 17 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.627 -0.176 19203 6700 1 17 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.371 -1.123 19203 6701 1 17 . 1 1 41 41 ASP CB C 41 38.386 38.386 41.942 -3.556 19203 6702 1 17 . 1 1 41 41 ASP H H 41 7.917 7.917 8.291 -0.374 19203 6703 1 17 . 1 1 42 42 VAL N N 42 128.043 128.043 121.110 6.933 19203 6704 1 17 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.819 0.207 19203 6705 1 17 . 1 1 42 42 VAL CA C 42 58.823 58.823 61.380 -2.557 19203 6706 1 17 . 1 1 42 42 VAL CB C 42 31.944 31.944 34.276 -2.332 19203 6707 1 17 . 1 1 42 42 VAL H H 42 8.366 8.366 8.095 0.271 19203 6708 1 17 . 1 1 43 43 CYS N N 43 122.686 122.686 126.339 -3.653 19203 6709 1 17 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.808 -0.029 19203 6710 1 17 . 1 1 43 43 CYS CA C 43 54.138 54.138 57.523 -3.385 19203 6711 1 17 . 1 1 43 43 CYS CB C 43 26.655 26.655 27.901 -1.246 19203 6712 1 17 . 1 1 43 43 CYS H H 43 8.800 8.800 8.782 0.018 19203 6713 1 17 . 1 1 44 44 TYR N N 44 122.582 122.582 119.456 3.126 19203 6714 1 17 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.486 -0.050 19203 6715 1 17 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.216 -2.428 19203 6716 1 17 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.394 -1.591 19203 6717 1 17 . 1 1 44 44 TYR H H 44 7.420 7.420 7.498 -0.078 19203 6718 1 17 . 1 1 45 45 ALA N N 45 127.108 127.108 125.918 1.190 19203 6719 1 17 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.414 0.527 19203 6720 1 17 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.416 -3.381 19203 6721 1 17 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.960 -1.721 19203 6722 1 17 . 1 1 45 45 ALA H H 45 7.107 7.107 7.782 -0.675 19203 6723 1 17 . 1 1 46 46 ASP N N 46 117.612 117.612 120.125 -2.513 19203 6724 1 17 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.577 0.046 19203 6725 1 17 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.125 -3.606 19203 6726 1 17 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.435 -2.642 19203 6727 1 17 . 1 1 46 46 ASP H H 46 8.463 8.463 8.426 0.037 19203 6728 1 17 . 1 1 47 47 VAL N N 47 116.535 116.535 124.165 -7.630 19203 6729 1 17 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.101 0.145 19203 6730 1 17 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.953 -2.896 19203 6731 1 17 . 1 1 47 47 VAL CB C 47 32.901 32.901 33.729 -0.828 19203 6732 1 17 . 1 1 47 47 VAL H H 47 8.096 8.096 8.413 -0.317 19203 6733 1 17 . 1 1 48 48 TYR N N 48 124.428 124.428 124.664 -0.236 19203 6734 1 17 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.697 0.246 19203 6735 1 17 . 1 1 48 48 TYR CA C 48 53.268 53.268 57.275 -4.007 19203 6736 1 17 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.334 -3.149 19203 6737 1 17 . 1 1 48 48 TYR H H 48 8.673 8.673 7.608 1.065 19203 6738 1 17 . 1 1 49 49 ARG N N 49 117.750 117.750 121.762 -4.012 19203 6739 1 17 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.893 0.296 19203 6740 1 17 . 1 1 49 49 ARG CA C 49 55.114 55.114 58.339 -3.225 19203 6741 1 17 . 1 1 49 49 ARG CB C 49 26.710 26.710 30.116 -3.406 19203 6742 1 17 . 1 1 49 49 ARG H H 49 8.520 8.520 8.919 -0.399 19203 6743 1 17 . 1 1 50 50 ASP N N 50 117.696 117.696 117.793 -0.097 19203 6744 1 17 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.818 -0.238 19203 6745 1 17 . 1 1 50 50 ASP CA C 50 50.176 50.176 54.004 -3.828 19203 6746 1 17 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.148 -5.242 19203 6747 1 17 . 1 1 50 50 ASP H H 50 7.960 7.960 8.054 -0.094 19203 6748 1 17 . 1 1 51 51 GLY N N 51 108.367 108.367 107.343 1.024 19203 6749 1 17 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.482 -1.919 19203 6750 1 17 . 1 1 51 51 GLY H H 51 8.053 8.053 8.582 -0.529 19203 6751 1 17 . 1 1 52 52 THR N N 52 109.991 109.991 114.718 -4.727 19203 6752 1 17 . 1 1 52 52 THR HA H 52 5.497 5.497 4.922 0.575 19203 6753 1 17 . 1 1 52 52 THR CA C 52 57.040 57.040 60.592 -3.552 19203 6754 1 17 . 1 1 52 52 THR CB C 52 69.847 69.847 72.640 -2.793 19203 6755 1 17 . 1 1 52 52 THR H H 52 7.637 7.637 7.480 0.157 19203 6756 1 17 . 1 1 53 53 GLY N N 53 105.727 105.727 106.718 -0.991 19203 6757 1 17 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.425 -2.127 19203 6758 1 17 . 1 1 53 53 GLY H H 53 8.801 8.801 8.052 0.749 19203 6759 1 17 . 1 1 54 54 VAL N N 54 117.327 117.327 120.736 -3.409 19203 6760 1 17 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.980 0.377 19203 6761 1 17 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.852 -3.031 19203 6762 1 17 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.301 -1.578 19203 6763 1 17 . 1 1 54 54 VAL H H 54 8.585 8.585 8.808 -0.223 19203 6764 1 17 . 1 1 55 55 VAL N N 55 120.925 120.925 127.551 -6.626 19203 6765 1 17 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.920 -0.289 19203 6766 1 17 . 1 1 55 55 VAL CA C 55 57.980 57.980 61.033 -3.053 19203 6767 1 17 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.429 -3.641 19203 6768 1 17 . 1 1 55 55 VAL H H 55 8.475 8.475 9.050 -0.575 19203 6769 1 17 . 1 1 56 56 GLU N N 56 123.932 123.932 122.234 1.698 19203 6770 1 17 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.815 0.183 19203 6771 1 17 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.569 -4.210 19203 6772 1 17 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.397 -4.323 19203 6773 1 17 . 1 1 56 56 GLU H H 56 8.896 8.896 8.549 0.347 19203 6774 1 17 . 1 1 57 57 PHE N N 57 120.441 120.441 124.328 -3.887 19203 6775 1 17 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.814 0.175 19203 6776 1 17 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.035 -0.960 19203 6777 1 17 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.533 -1.253 19203 6778 1 17 . 1 1 57 57 PHE H H 57 8.549 8.549 9.353 -0.804 19203 6779 1 17 . 1 1 58 58 VAL N N 58 125.263 125.263 119.215 6.048 19203 6780 1 17 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.952 -0.380 19203 6781 1 17 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.434 -0.041 19203 6782 1 17 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.153 -2.592 19203 6783 1 17 . 1 1 58 58 VAL H H 58 8.123 8.123 8.685 -0.562 19203 6784 1 17 . 1 1 59 59 ARG N N 59 117.434 117.434 116.746 0.688 19203 6785 1 17 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.556 0.157 19203 6786 1 17 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.849 -2.808 19203 6787 1 17 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.434 -3.826 19203 6788 1 17 . 1 1 59 59 ARG H H 59 9.504 9.504 7.918 1.586 19203 6789 1 17 . 1 1 60 60 LYS N N 60 127.390 127.390 122.584 4.806 19203 6790 1 17 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.102 -0.476 19203 6791 1 17 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.930 -2.505 19203 6792 1 17 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.502 -2.862 19203 6793 1 17 . 1 1 60 60 LYS H H 60 8.955 8.955 8.917 0.038 19203 6794 1 17 . 1 1 61 61 GLU N N 61 117.610 117.610 119.105 -1.495 19203 6795 1 17 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.085 -0.112 19203 6796 1 17 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.296 -3.424 19203 6797 1 17 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.118 -3.027 19203 6798 1 17 . 1 1 61 61 GLU H H 61 9.814 9.814 8.820 0.994 19203 6799 1 17 . 1 1 62 62 ASP N N 62 121.439 121.439 120.381 1.058 19203 6800 1 17 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.560 -0.211 19203 6801 1 17 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.246 -3.823 19203 6802 1 17 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.392 -3.122 19203 6803 1 17 . 1 1 62 62 ASP H H 62 6.760 6.760 8.408 -1.648 19203 6804 1 17 . 1 1 63 63 MET N N 63 120.225 120.225 120.098 0.127 19203 6805 1 17 . 1 1 63 63 MET HA H 63 3.070 3.070 3.480 -0.410 19203 6806 1 17 . 1 1 63 63 MET CA C 63 56.211 56.211 58.599 -2.388 19203 6807 1 17 . 1 1 63 63 MET CB C 63 30.414 30.414 32.095 -1.681 19203 6808 1 17 . 1 1 63 63 MET H H 63 6.863 6.863 8.536 -1.673 19203 6809 1 17 . 1 1 64 64 THR N N 64 113.874 113.874 114.924 -1.050 19203 6810 1 17 . 1 1 64 64 THR HA H 64 3.663 3.663 3.925 -0.262 19203 6811 1 17 . 1 1 64 64 THR CA C 64 63.733 63.733 66.935 -3.202 19203 6812 1 17 . 1 1 64 64 THR CB C 64 65.692 65.692 68.702 -3.010 19203 6813 1 17 . 1 1 64 64 THR H H 64 7.900 7.900 8.372 -0.472 19203 6814 1 17 . 1 1 65 65 TYR N N 65 122.573 122.573 123.079 -0.506 19203 6815 1 17 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.046 -0.041 19203 6816 1 17 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.551 -3.101 19203 6817 1 17 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.131 -2.433 19203 6818 1 17 . 1 1 65 65 TYR H H 65 7.530 7.530 8.587 -1.057 19203 6819 1 17 . 1 1 66 66 ALA N N 66 120.898 120.898 121.832 -0.934 19203 6820 1 17 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.062 -0.424 19203 6821 1 17 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.496 -2.474 19203 6822 1 17 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.341 -1.759 19203 6823 1 17 . 1 1 66 66 ALA H H 66 8.144 8.144 8.556 -0.412 19203 6824 1 17 . 1 1 67 67 VAL N N 67 115.474 115.474 116.053 -0.579 19203 6825 1 17 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.858 -0.542 19203 6826 1 17 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.632 -0.983 19203 6827 1 17 . 1 1 67 67 VAL CB C 67 29.462 29.462 30.718 -1.256 19203 6828 1 17 . 1 1 67 67 VAL H H 67 7.602 7.602 7.708 -0.106 19203 6829 1 17 . 1 1 68 68 ARG N N 68 116.635 116.635 118.718 -2.083 19203 6830 1 17 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.382 -0.340 19203 6831 1 17 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.144 -0.155 19203 6832 1 17 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.061 -2.610 19203 6833 1 17 . 1 1 68 68 ARG H H 68 7.531 7.531 7.758 -0.227 19203 6834 1 17 . 1 1 69 69 LYS N N 69 115.566 115.566 116.071 -0.505 19203 6835 1 17 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.438 -0.217 19203 6836 1 17 . 1 1 69 69 LYS CA C 69 53.569 53.569 55.732 -2.163 19203 6837 1 17 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.288 -3.295 19203 6838 1 17 . 1 1 69 69 LYS H H 69 8.664 8.664 8.221 0.443 19203 6839 1 17 . 1 1 70 70 LEU N N 70 114.943 114.943 120.457 -5.514 19203 6840 1 17 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.729 0.097 19203 6841 1 17 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.739 -3.253 19203 6842 1 17 . 1 1 70 70 LEU CB C 70 39.265 39.265 44.400 -5.135 19203 6843 1 17 . 1 1 70 70 LEU H H 70 8.164 8.164 8.196 -0.032 19203 6844 1 17 . 1 1 71 71 ASP N N 71 119.864 119.864 120.484 -0.620 19203 6845 1 17 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.614 -0.222 19203 6846 1 17 . 1 1 71 71 ASP CA C 71 54.184 54.184 55.243 -1.059 19203 6847 1 17 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.242 -2.779 19203 6848 1 17 . 1 1 71 71 ASP H H 71 6.910 6.910 7.688 -0.778 19203 6849 1 17 . 1 1 72 72 ASN N N 72 123.602 123.602 116.153 7.449 19203 6850 1 17 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.575 0.106 19203 6851 1 17 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.439 -2.737 19203 6852 1 17 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.928 -2.868 19203 6853 1 17 . 1 1 72 72 ASN H H 72 9.037 9.037 8.501 0.536 19203 6854 1 17 . 1 1 73 73 THR N N 73 105.063 105.063 108.425 -3.362 19203 6855 1 17 . 1 1 73 73 THR HA H 73 4.674 4.674 4.486 0.188 19203 6856 1 17 . 1 1 73 73 THR CA C 73 57.397 57.397 61.524 -4.127 19203 6857 1 17 . 1 1 73 73 THR CB C 73 70.412 70.412 70.317 0.095 19203 6858 1 17 . 1 1 73 73 THR H H 73 7.187 7.187 7.579 -0.392 19203 6859 1 17 . 1 1 74 74 LYS N N 74 120.141 120.141 125.923 -5.782 19203 6860 1 17 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.385 -0.729 19203 6861 1 17 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.001 -2.168 19203 6862 1 17 . 1 1 74 74 LYS CB C 74 29.905 29.905 32.771 -2.866 19203 6863 1 17 . 1 1 74 74 LYS H H 74 8.384 8.384 8.548 -0.164 19203 6864 1 17 . 1 1 75 75 PHE N N 75 132.829 132.829 126.533 6.296 19203 6865 1 17 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.488 -0.172 19203 6866 1 17 . 1 1 75 75 PHE CA C 75 53.203 53.203 57.031 -3.828 19203 6867 1 17 . 1 1 75 75 PHE CB C 75 40.456 40.456 41.654 -1.198 19203 6868 1 17 . 1 1 75 75 PHE H H 75 9.243 9.243 8.193 1.050 19203 6869 1 17 . 1 1 76 76 ARG N N 76 128.489 128.489 125.953 2.536 19203 6870 1 17 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.682 0.116 19203 6871 1 17 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.067 -3.086 19203 6872 1 17 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.908 -1.534 19203 6873 1 17 . 1 1 76 76 ARG H H 76 8.293 8.293 7.478 0.815 19203 6874 1 17 . 1 1 77 77 SER N N 77 120.971 120.971 117.191 3.780 19203 6875 1 17 . 1 1 77 77 SER HA H 77 4.278 4.278 4.728 -0.450 19203 6876 1 17 . 1 1 77 77 SER CA C 77 53.406 53.406 56.607 -3.201 19203 6877 1 17 . 1 1 77 77 SER CB C 77 63.802 63.802 66.106 -2.304 19203 6878 1 17 . 1 1 77 77 SER H H 77 9.107 9.107 8.600 0.507 19203 6879 1 17 . 1 1 78 78 HIS N N 78 118.463 118.463 117.954 0.509 19203 6880 1 17 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.599 -0.224 19203 6881 1 17 . 1 1 78 78 HIS CA C 78 55.891 55.891 56.313 -0.422 19203 6882 1 17 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.824 -5.585 19203 6883 1 17 . 1 1 78 78 HIS H H 78 9.696 9.696 8.369 1.327 19203 6884 1 17 . 1 1 79 79 GLU N N 79 116.714 116.714 119.405 -2.691 19203 6885 1 17 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.397 -0.054 19203 6886 1 17 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.733 -2.793 19203 6887 1 17 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.418 -1.905 19203 6888 1 17 . 1 1 79 79 GLU H H 79 7.053 7.053 7.753 -0.700 19203 6889 1 17 . 1 1 80 80 GLY N N 80 108.106 108.106 107.593 0.513 19203 6890 1 17 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.636 -2.999 19203 6891 1 17 . 1 1 80 80 GLY H H 80 7.835 7.835 8.363 -0.528 19203 6892 1 17 . 1 1 81 81 GLU N N 81 119.017 119.017 118.607 0.410 19203 6893 1 17 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.905 -0.571 19203 6894 1 17 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.443 -0.716 19203 6895 1 17 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.119 -1.641 19203 6896 1 17 . 1 1 81 81 GLU H H 81 7.067 7.067 7.846 -0.779 19203 6897 1 17 . 1 1 82 82 THR N N 82 114.312 114.312 110.990 3.322 19203 6898 1 17 . 1 1 82 82 THR HA H 82 5.771 5.771 4.938 0.833 19203 6899 1 17 . 1 1 82 82 THR CA C 82 56.694 56.694 60.458 -3.764 19203 6900 1 17 . 1 1 82 82 THR CB C 82 69.359 69.359 72.123 -2.764 19203 6901 1 17 . 1 1 82 82 THR H H 82 8.499 8.499 8.229 0.270 19203 6902 1 17 . 1 1 83 83 ALA N N 83 123.125 123.125 127.734 -4.609 19203 6903 1 17 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.776 -0.335 19203 6904 1 17 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.839 -1.742 19203 6905 1 17 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.712 -0.213 19203 6906 1 17 . 1 1 83 83 ALA H H 83 8.674 8.674 8.384 0.290 19203 6907 1 17 . 1 1 84 84 TYR N N 84 120.587 120.587 122.291 -1.704 19203 6908 1 17 . 1 1 84 84 TYR HA H 84 4.973 4.973 4.999 -0.026 19203 6909 1 17 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.956 -1.056 19203 6910 1 17 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.234 -3.082 19203 6911 1 17 . 1 1 84 84 TYR H H 84 8.708 8.708 8.382 0.326 19203 6912 1 17 . 1 1 85 85 ILE N N 85 116.081 116.081 114.377 1.704 19203 6913 1 17 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.157 -0.305 19203 6914 1 17 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.768 -1.839 19203 6915 1 17 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.142 -3.768 19203 6916 1 17 . 1 1 85 85 ILE H H 85 8.182 8.182 8.137 0.045 19203 6917 1 17 . 1 1 86 86 ARG N N 86 117.289 117.289 118.672 -1.383 19203 6918 1 17 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.975 0.262 19203 6919 1 17 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.277 -5.130 19203 6920 1 17 . 1 1 86 86 ARG CB C 86 27.473 27.473 34.627 -7.154 19203 6921 1 17 . 1 1 86 86 ARG H H 86 8.250 8.250 8.449 -0.199 19203 6922 1 17 . 1 1 87 87 VAL N N 87 121.679 121.679 121.769 -0.090 19203 6923 1 17 . 1 1 87 87 VAL HA H 87 4.633 4.633 5.029 -0.396 19203 6924 1 17 . 1 1 87 87 VAL CA C 87 58.639 58.639 59.129 -0.490 19203 6925 1 17 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.356 -1.727 19203 6926 1 17 . 1 1 87 87 VAL H H 87 8.983 8.983 8.187 0.796 19203 6927 1 17 . 1 1 88 88 LYS N N 88 123.579 123.579 126.290 -2.711 19203 6928 1 17 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.763 -0.010 19203 6929 1 17 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.277 -2.379 19203 6930 1 17 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.545 -1.402 19203 6931 1 17 . 1 1 88 88 LYS H H 88 8.679 8.679 8.725 -0.046 19203 6932 1 17 . 1 1 89 89 VAL N N 89 119.787 119.787 121.036 -1.249 19203 6933 1 17 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.114 0.011 19203 6934 1 17 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.060 -1.020 19203 6935 1 17 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.337 -1.996 19203 6936 1 17 . 1 1 89 89 VAL H H 89 8.454 8.454 8.495 -0.041 19203 6937 1 18 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.813 -0.280 19203 6938 1 18 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.268 -3.383 19203 6939 1 18 . 1 1 2 2 ALA CB C 2 15.622 15.622 18.501 -2.879 19203 6940 1 18 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.620 0.206 19203 6941 1 18 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.584 -4.275 19203 6942 1 18 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.266 -4.474 19203 6943 1 18 . 1 1 4 4 ARG N N 4 121.678 121.678 118.618 3.060 19203 6944 1 18 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.533 -0.312 19203 6945 1 18 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.470 -1.895 19203 6946 1 18 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.770 -3.303 19203 6947 1 18 . 1 1 4 4 ARG H H 4 8.483 8.483 8.538 -0.055 19203 6948 1 18 . 1 1 5 5 GLY N N 5 109.928 109.928 108.797 1.131 19203 6949 1 18 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.892 -2.224 19203 6950 1 18 . 1 1 5 5 GLY H H 5 8.344 8.344 8.454 -0.110 19203 6951 1 18 . 1 1 6 6 ARG N N 6 120.896 120.896 122.611 -1.715 19203 6952 1 18 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.751 -0.609 19203 6953 1 18 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.758 -2.239 19203 6954 1 18 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.935 -3.717 19203 6955 1 18 . 1 1 6 6 ARG H H 6 8.144 8.144 8.154 -0.010 19203 6956 1 18 . 1 1 7 7 TYR N N 7 121.118 121.118 125.458 -4.340 19203 6957 1 18 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.595 -0.035 19203 6958 1 18 . 1 1 7 7 TYR CA C 7 54.805 54.805 58.136 -3.331 19203 6959 1 18 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.557 -3.053 19203 6960 1 18 . 1 1 7 7 TYR H H 7 8.218 8.218 8.419 -0.201 19203 6961 1 18 . 1 1 8 8 GLY N N 8 110.613 110.613 112.156 -1.543 19203 6962 1 18 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.101 -2.196 19203 6963 1 18 . 1 1 8 8 GLY H H 8 8.021 8.021 7.759 0.262 19203 6964 1 18 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.683 -0.116 19203 6965 1 18 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.714 -2.913 19203 6966 1 18 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.189 -2.828 19203 6967 1 18 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.462 -0.098 19203 6968 1 18 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.968 -2.554 19203 6969 1 18 . 1 1 10 10 PRO CB C 10 29.467 29.467 29.982 -0.515 19203 6970 1 18 . 1 1 11 11 SER N N 11 116.042 116.042 116.868 -0.826 19203 6971 1 18 . 1 1 11 11 SER HA H 11 4.394 4.394 4.731 -0.337 19203 6972 1 18 . 1 1 11 11 SER CA C 11 55.641 55.641 57.876 -2.235 19203 6973 1 18 . 1 1 11 11 SER CB C 11 61.349 61.349 65.157 -3.808 19203 6974 1 18 . 1 1 11 11 SER H H 11 8.263 8.263 8.100 0.163 19203 6975 1 18 . 1 1 12 12 ARG N N 12 123.432 123.432 121.050 2.382 19203 6976 1 18 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.783 -0.494 19203 6977 1 18 . 1 1 12 12 ARG CA C 12 53.311 53.311 54.836 -1.525 19203 6978 1 18 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.197 -2.470 19203 6979 1 18 . 1 1 12 12 ARG H H 12 8.317 8.317 8.387 -0.070 19203 6980 1 18 . 1 1 13 13 ARG N N 13 119.550 119.550 119.405 0.145 19203 6981 1 18 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.743 -2.160 19203 6982 1 18 . 1 1 13 13 ARG H H 13 7.967 7.967 8.449 -0.482 19203 6983 1 18 . 1 1 14 14 SER N N 14 117.366 117.366 114.185 3.181 19203 6984 1 18 . 1 1 14 14 SER HA H 14 4.588 4.588 4.669 -0.081 19203 6985 1 18 . 1 1 14 14 SER CA C 14 54.505 54.505 57.412 -2.907 19203 6986 1 18 . 1 1 14 14 SER CB C 14 63.906 63.906 65.008 -1.102 19203 6987 1 18 . 1 1 14 14 SER H H 14 8.660 8.660 7.821 0.839 19203 6988 1 18 . 1 1 15 15 GLU N N 15 116.212 116.212 121.433 -5.221 19203 6989 1 18 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.140 0.172 19203 6990 1 18 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.972 -4.025 19203 6991 1 18 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.564 -1.458 19203 6992 1 18 . 1 1 15 15 GLU H H 15 8.472 8.472 8.954 -0.482 19203 6993 1 18 . 1 1 16 16 ASN N N 16 120.295 120.295 114.834 5.461 19203 6994 1 18 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.931 0.066 19203 6995 1 18 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.549 -2.618 19203 6996 1 18 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.409 -6.098 19203 6997 1 18 . 1 1 16 16 ASN H H 16 8.326 8.326 8.170 0.156 19203 6998 1 18 . 1 1 17 17 ARG N N 17 123.774 123.774 121.687 2.087 19203 6999 1 18 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.631 0.638 19203 7000 1 18 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.708 -2.868 19203 7001 1 18 . 1 1 17 17 ARG CB C 17 31.422 31.422 32.933 -1.511 19203 7002 1 18 . 1 1 17 17 ARG H H 17 7.726 7.726 7.468 0.258 19203 7003 1 18 . 1 1 18 18 VAL N N 18 117.634 117.634 118.386 -0.752 19203 7004 1 18 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.095 -0.053 19203 7005 1 18 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.364 -3.274 19203 7006 1 18 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.460 -3.714 19203 7007 1 18 . 1 1 18 18 VAL H H 18 9.197 9.197 8.328 0.869 19203 7008 1 18 . 1 1 19 19 VAL N N 19 119.956 119.956 120.667 -0.711 19203 7009 1 18 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.863 0.062 19203 7010 1 18 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.365 -2.594 19203 7011 1 18 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.648 -4.073 19203 7012 1 18 . 1 1 19 19 VAL H H 19 9.111 9.111 8.657 0.454 19203 7013 1 18 . 1 1 20 20 VAL N N 20 125.976 125.976 123.722 2.254 19203 7014 1 18 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.944 0.425 19203 7015 1 18 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.727 -4.213 19203 7016 1 18 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.041 -1.994 19203 7017 1 18 . 1 1 20 20 VAL H H 20 8.678 8.678 8.982 -0.304 19203 7018 1 18 . 1 1 21 21 SER N N 21 117.905 117.905 116.113 1.792 19203 7019 1 18 . 1 1 21 21 SER HA H 21 5.075 5.075 5.133 -0.058 19203 7020 1 18 . 1 1 21 21 SER CA C 21 54.228 54.228 56.818 -2.590 19203 7021 1 18 . 1 1 21 21 SER CB C 21 63.312 63.312 66.578 -3.266 19203 7022 1 18 . 1 1 21 21 SER H H 21 8.917 8.917 8.493 0.424 19203 7023 1 18 . 1 1 22 22 GLY N N 22 108.144 108.144 108.871 -0.727 19203 7024 1 18 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.298 -2.833 19203 7025 1 18 . 1 1 22 22 GLY H H 22 8.079 8.079 8.614 -0.535 19203 7026 1 18 . 1 1 23 23 LEU N N 23 119.379 119.379 121.458 -2.079 19203 7027 1 18 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.137 -0.714 19203 7028 1 18 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.145 -2.272 19203 7029 1 18 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.799 -3.721 19203 7030 1 18 . 1 1 23 23 LEU H H 23 8.485 8.485 7.054 1.431 19203 7031 1 18 . 1 1 24 24 PRO CB C 24 27.899 27.899 31.053 -3.154 19203 7032 1 18 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.394 -0.136 19203 7033 1 18 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.772 -2.013 19203 7034 1 18 . 1 1 25 25 PRO CB C 25 29.229 29.229 32.179 -2.950 19203 7035 1 18 . 1 1 26 26 SER N N 26 106.249 106.249 114.164 -7.915 19203 7036 1 18 . 1 1 26 26 SER HA H 26 4.319 4.319 4.537 -0.218 19203 7037 1 18 . 1 1 26 26 SER CA C 26 55.722 55.722 57.384 -1.662 19203 7038 1 18 . 1 1 26 26 SER CB C 26 61.171 61.171 62.899 -1.728 19203 7039 1 18 . 1 1 26 26 SER H H 26 7.309 7.309 8.026 -0.717 19203 7040 1 18 . 1 1 27 27 GLY N N 27 107.883 107.883 108.967 -1.084 19203 7041 1 18 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.818 -0.614 19203 7042 1 18 . 1 1 27 27 GLY H H 27 8.075 8.075 7.559 0.516 19203 7043 1 18 . 1 1 28 28 SER N N 28 123.917 123.917 117.930 5.987 19203 7044 1 18 . 1 1 28 28 SER HA H 28 4.903 4.903 4.734 0.169 19203 7045 1 18 . 1 1 28 28 SER CA C 28 53.260 53.260 56.436 -3.176 19203 7046 1 18 . 1 1 28 28 SER CB C 28 64.609 64.609 66.388 -1.779 19203 7047 1 18 . 1 1 28 28 SER H H 28 9.021 9.021 8.369 0.652 19203 7048 1 18 . 1 1 29 29 TRP N N 29 120.079 120.079 122.011 -1.932 19203 7049 1 18 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.394 -0.370 19203 7050 1 18 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.514 -1.450 19203 7051 1 18 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.498 -3.276 19203 7052 1 18 . 1 1 29 29 TRP H H 29 9.042 9.042 8.702 0.340 19203 7053 1 18 . 1 1 30 30 GLN N N 30 123.085 123.085 121.163 1.922 19203 7054 1 18 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.010 -0.816 19203 7055 1 18 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.054 -2.088 19203 7056 1 18 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.484 -2.800 19203 7057 1 18 . 1 1 30 30 GLN H H 30 7.587 7.587 7.752 -0.165 19203 7058 1 18 . 1 1 31 31 ASP N N 31 120.127 120.127 120.755 -0.628 19203 7059 1 18 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.401 -0.251 19203 7060 1 18 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.101 -2.766 19203 7061 1 18 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.666 -1.394 19203 7062 1 18 . 1 1 31 31 ASP H H 31 7.697 7.697 7.961 -0.264 19203 7063 1 18 . 1 1 32 32 LEU N N 32 122.010 122.010 121.604 0.406 19203 7064 1 18 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.386 -0.181 19203 7065 1 18 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.865 -3.326 19203 7066 1 18 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.736 -2.735 19203 7067 1 18 . 1 1 32 32 LEU H H 32 8.260 8.260 8.223 0.037 19203 7068 1 18 . 1 1 33 33 LYS N N 33 120.333 120.333 117.323 3.010 19203 7069 1 18 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.233 -0.721 19203 7070 1 18 . 1 1 33 33 LYS CA C 33 58.485 58.485 57.433 1.052 19203 7071 1 18 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.124 -2.485 19203 7072 1 18 . 1 1 33 33 LYS H H 33 8.506 8.506 8.351 0.155 19203 7073 1 18 . 1 1 34 34 ASP N N 34 117.666 117.666 118.614 -0.948 19203 7074 1 18 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.530 -0.247 19203 7075 1 18 . 1 1 34 34 ASP CA C 34 54.882 54.882 57.048 -2.166 19203 7076 1 18 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.264 -3.724 19203 7077 1 18 . 1 1 34 34 ASP H H 34 8.353 8.353 8.209 0.144 19203 7078 1 18 . 1 1 35 35 HIS N N 35 119.654 119.654 116.717 2.937 19203 7079 1 18 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.676 -0.569 19203 7080 1 18 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.387 -0.063 19203 7081 1 18 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.843 -1.578 19203 7082 1 18 . 1 1 35 35 HIS H H 35 7.943 7.943 8.151 -0.208 19203 7083 1 18 . 1 1 36 36 MET N N 36 111.628 111.628 120.372 -8.744 19203 7084 1 18 . 1 1 36 36 MET HA H 36 4.572 4.572 4.678 -0.106 19203 7085 1 18 . 1 1 36 36 MET CA C 36 52.172 52.172 55.966 -3.794 19203 7086 1 18 . 1 1 36 36 MET CB C 36 31.060 31.060 31.369 -0.309 19203 7087 1 18 . 1 1 36 36 MET H H 36 7.812 7.812 8.676 -0.864 19203 7088 1 18 . 1 1 37 37 ARG N N 37 119.419 119.419 119.584 -0.165 19203 7089 1 18 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.694 -0.061 19203 7090 1 18 . 1 1 37 37 ARG CA C 37 55.407 55.407 55.075 0.332 19203 7091 1 18 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.651 -2.650 19203 7092 1 18 . 1 1 37 37 ARG H H 37 7.929 7.929 8.213 -0.284 19203 7093 1 18 . 1 1 38 38 GLU N N 38 118.450 118.450 123.383 -4.933 19203 7094 1 18 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.121 -0.134 19203 7095 1 18 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.848 -3.261 19203 7096 1 18 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.621 -2.164 19203 7097 1 18 . 1 1 38 38 GLU H H 38 7.524 7.524 8.343 -0.819 19203 7098 1 18 . 1 1 39 39 ALA N N 39 118.496 118.496 119.317 -0.821 19203 7099 1 18 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.070 -0.091 19203 7100 1 18 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.059 -1.833 19203 7101 1 18 . 1 1 39 39 ALA CB C 39 17.657 17.657 18.617 -0.960 19203 7102 1 18 . 1 1 39 39 ALA H H 39 7.958 7.958 8.293 -0.335 19203 7103 1 18 . 1 1 40 40 GLY N N 40 101.970 101.970 107.017 -5.047 19203 7104 1 18 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.265 -2.745 19203 7105 1 18 . 1 1 40 40 GLY H H 40 7.172 7.172 7.233 -0.061 19203 7106 1 18 . 1 1 41 41 ASP N N 41 116.412 116.412 125.010 -8.598 19203 7107 1 18 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.622 -0.171 19203 7108 1 18 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.618 -1.370 19203 7109 1 18 . 1 1 41 41 ASP CB C 41 38.386 38.386 40.471 -2.085 19203 7110 1 18 . 1 1 41 41 ASP H H 41 7.917 7.917 8.605 -0.688 19203 7111 1 18 . 1 1 42 42 VAL N N 42 128.043 128.043 124.763 3.280 19203 7112 1 18 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.761 0.265 19203 7113 1 18 . 1 1 42 42 VAL CA C 42 58.823 58.823 61.719 -2.896 19203 7114 1 18 . 1 1 42 42 VAL CB C 42 31.944 31.944 31.450 0.495 19203 7115 1 18 . 1 1 42 42 VAL H H 42 8.366 8.366 7.872 0.494 19203 7116 1 18 . 1 1 43 43 CYS N N 43 122.686 122.686 127.744 -5.058 19203 7117 1 18 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.327 0.452 19203 7118 1 18 . 1 1 43 43 CYS CA C 43 54.138 54.138 60.274 -6.136 19203 7119 1 18 . 1 1 43 43 CYS CB C 43 26.655 26.655 27.026 -0.371 19203 7120 1 18 . 1 1 43 43 CYS H H 43 8.800 8.800 8.866 -0.066 19203 7121 1 18 . 1 1 44 44 TYR N N 44 122.582 122.582 120.230 2.352 19203 7122 1 18 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.578 -0.142 19203 7123 1 18 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.421 -1.633 19203 7124 1 18 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.667 -1.864 19203 7125 1 18 . 1 1 44 44 TYR H H 44 7.420 7.420 7.690 -0.270 19203 7126 1 18 . 1 1 45 45 ALA N N 45 127.108 127.108 127.984 -0.876 19203 7127 1 18 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.432 0.509 19203 7128 1 18 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.607 -3.572 19203 7129 1 18 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.441 -1.202 19203 7130 1 18 . 1 1 45 45 ALA H H 45 7.107 7.107 7.540 -0.433 19203 7131 1 18 . 1 1 46 46 ASP N N 46 117.612 117.612 122.816 -5.204 19203 7132 1 18 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.757 -0.134 19203 7133 1 18 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.314 -2.795 19203 7134 1 18 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.706 -2.913 19203 7135 1 18 . 1 1 46 46 ASP H H 46 8.463 8.463 8.411 0.052 19203 7136 1 18 . 1 1 47 47 VAL N N 47 116.535 116.535 120.362 -3.827 19203 7137 1 18 . 1 1 47 47 VAL HA H 47 4.246 4.246 3.903 0.343 19203 7138 1 18 . 1 1 47 47 VAL CA C 47 58.057 58.057 61.359 -3.302 19203 7139 1 18 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.070 -2.169 19203 7140 1 18 . 1 1 47 47 VAL H H 47 8.096 8.096 8.212 -0.116 19203 7141 1 18 . 1 1 48 48 TYR N N 48 124.428 124.428 122.728 1.700 19203 7142 1 18 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.980 -0.037 19203 7143 1 18 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.825 -3.557 19203 7144 1 18 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.381 -3.196 19203 7145 1 18 . 1 1 48 48 TYR H H 48 8.673 8.673 7.887 0.786 19203 7146 1 18 . 1 1 49 49 ARG N N 49 117.750 117.750 119.785 -2.035 19203 7147 1 18 . 1 1 49 49 ARG HA H 49 4.189 4.189 3.921 0.268 19203 7148 1 18 . 1 1 49 49 ARG CA C 49 55.114 55.114 57.986 -2.872 19203 7149 1 18 . 1 1 49 49 ARG CB C 49 26.710 26.710 28.911 -2.201 19203 7150 1 18 . 1 1 49 49 ARG H H 49 8.520 8.520 8.894 -0.374 19203 7151 1 18 . 1 1 50 50 ASP N N 50 117.696 117.696 117.272 0.424 19203 7152 1 18 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.641 -0.061 19203 7153 1 18 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.521 -3.345 19203 7154 1 18 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.462 -5.558 19203 7155 1 18 . 1 1 50 50 ASP H H 50 7.960 7.960 7.895 0.065 19203 7156 1 18 . 1 1 51 51 GLY N N 51 108.367 108.367 105.841 2.526 19203 7157 1 18 . 1 1 51 51 GLY CA C 51 43.563 43.563 46.329 -2.766 19203 7158 1 18 . 1 1 51 51 GLY H H 51 8.053 8.053 8.444 -0.391 19203 7159 1 18 . 1 1 52 52 THR N N 52 109.991 109.991 112.620 -2.629 19203 7160 1 18 . 1 1 52 52 THR HA H 52 5.497 5.497 5.133 0.364 19203 7161 1 18 . 1 1 52 52 THR CA C 52 57.040 57.040 60.185 -3.145 19203 7162 1 18 . 1 1 52 52 THR CB C 52 69.847 69.847 72.740 -2.893 19203 7163 1 18 . 1 1 52 52 THR H H 52 7.637 7.637 7.347 0.290 19203 7164 1 18 . 1 1 53 53 GLY N N 53 105.727 105.727 107.275 -1.548 19203 7165 1 18 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.166 -1.868 19203 7166 1 18 . 1 1 53 53 GLY H H 53 8.801 8.801 8.129 0.672 19203 7167 1 18 . 1 1 54 54 VAL N N 54 117.327 117.327 123.421 -6.094 19203 7168 1 18 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.776 0.581 19203 7169 1 18 . 1 1 54 54 VAL CA C 54 56.820 56.820 59.514 -2.694 19203 7170 1 18 . 1 1 54 54 VAL CB C 54 33.723 33.723 34.562 -0.839 19203 7171 1 18 . 1 1 54 54 VAL H H 54 8.585 8.585 7.808 0.777 19203 7172 1 18 . 1 1 55 55 VAL N N 55 120.925 120.925 127.257 -6.332 19203 7173 1 18 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.985 -0.354 19203 7174 1 18 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.555 -2.575 19203 7175 1 18 . 1 1 55 55 VAL CB C 55 32.788 32.788 35.968 -3.180 19203 7176 1 18 . 1 1 55 55 VAL H H 55 8.475 8.475 8.919 -0.444 19203 7177 1 18 . 1 1 56 56 GLU N N 56 123.932 123.932 121.200 2.732 19203 7178 1 18 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.038 -0.040 19203 7179 1 18 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.335 -3.976 19203 7180 1 18 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.765 -4.691 19203 7181 1 18 . 1 1 56 56 GLU H H 56 8.896 8.896 8.461 0.435 19203 7182 1 18 . 1 1 57 57 PHE N N 57 120.441 120.441 122.110 -1.669 19203 7183 1 18 . 1 1 57 57 PHE HA H 57 4.989 4.989 5.003 -0.014 19203 7184 1 18 . 1 1 57 57 PHE CA C 57 55.075 55.075 56.722 -1.647 19203 7185 1 18 . 1 1 57 57 PHE CB C 57 39.280 39.280 41.393 -2.113 19203 7186 1 18 . 1 1 57 57 PHE H H 57 8.549 8.549 9.278 -0.729 19203 7187 1 18 . 1 1 58 58 VAL N N 58 125.263 125.263 119.676 5.587 19203 7188 1 18 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.813 -0.241 19203 7189 1 18 . 1 1 58 58 VAL CA C 58 64.393 64.393 65.651 -1.258 19203 7190 1 18 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.331 -2.770 19203 7191 1 18 . 1 1 58 58 VAL H H 58 8.123 8.123 8.714 -0.591 19203 7192 1 18 . 1 1 59 59 ARG N N 59 117.434 117.434 116.117 1.317 19203 7193 1 18 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.471 0.242 19203 7194 1 18 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.620 -2.579 19203 7195 1 18 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.686 -3.078 19203 7196 1 18 . 1 1 59 59 ARG H H 59 9.504 9.504 7.733 1.771 19203 7197 1 18 . 1 1 60 60 LYS N N 60 127.390 127.390 122.103 5.287 19203 7198 1 18 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.102 -0.476 19203 7199 1 18 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.746 -2.321 19203 7200 1 18 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.227 -2.587 19203 7201 1 18 . 1 1 60 60 LYS H H 60 8.955 8.955 8.877 0.078 19203 7202 1 18 . 1 1 61 61 GLU N N 61 117.610 117.610 118.665 -1.055 19203 7203 1 18 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.096 -0.123 19203 7204 1 18 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.360 -3.488 19203 7205 1 18 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.991 -2.900 19203 7206 1 18 . 1 1 61 61 GLU H H 61 9.814 9.814 8.754 1.060 19203 7207 1 18 . 1 1 62 62 ASP N N 62 121.439 121.439 120.346 1.093 19203 7208 1 18 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.476 -0.127 19203 7209 1 18 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.463 -4.040 19203 7210 1 18 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.424 -3.154 19203 7211 1 18 . 1 1 62 62 ASP H H 62 6.760 6.760 8.390 -1.630 19203 7212 1 18 . 1 1 63 63 MET N N 63 120.225 120.225 119.674 0.551 19203 7213 1 18 . 1 1 63 63 MET HA H 63 3.070 3.070 3.537 -0.467 19203 7214 1 18 . 1 1 63 63 MET CA C 63 56.211 56.211 58.673 -2.462 19203 7215 1 18 . 1 1 63 63 MET CB C 63 30.414 30.414 32.213 -1.799 19203 7216 1 18 . 1 1 63 63 MET H H 63 6.863 6.863 8.446 -1.583 19203 7217 1 18 . 1 1 64 64 THR N N 64 113.874 113.874 114.753 -0.879 19203 7218 1 18 . 1 1 64 64 THR HA H 64 3.663 3.663 3.979 -0.316 19203 7219 1 18 . 1 1 64 64 THR CA C 64 63.733 63.733 66.768 -3.035 19203 7220 1 18 . 1 1 64 64 THR CB C 64 65.692 65.692 68.529 -2.837 19203 7221 1 18 . 1 1 64 64 THR H H 64 7.900 7.900 8.295 -0.395 19203 7222 1 18 . 1 1 65 65 TYR N N 65 122.573 122.573 123.564 -0.991 19203 7223 1 18 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.076 -0.071 19203 7224 1 18 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.524 -3.074 19203 7225 1 18 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.206 -2.508 19203 7226 1 18 . 1 1 65 65 TYR H H 65 7.530 7.530 7.880 -0.350 19203 7227 1 18 . 1 1 66 66 ALA N N 66 120.898 120.898 121.704 -0.806 19203 7228 1 18 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.151 -0.513 19203 7229 1 18 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.437 -2.414 19203 7230 1 18 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.862 -1.280 19203 7231 1 18 . 1 1 66 66 ALA H H 66 8.144 8.144 7.839 0.305 19203 7232 1 18 . 1 1 67 67 VAL N N 67 115.474 115.474 116.255 -0.781 19203 7233 1 18 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.783 -0.467 19203 7234 1 18 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.267 -0.618 19203 7235 1 18 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.315 -1.853 19203 7236 1 18 . 1 1 67 67 VAL H H 67 7.602 7.602 7.557 0.045 19203 7237 1 18 . 1 1 68 68 ARG N N 68 116.635 116.635 115.156 1.479 19203 7238 1 18 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.493 -0.451 19203 7239 1 18 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.404 -0.415 19203 7240 1 18 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.769 -3.317 19203 7241 1 18 . 1 1 68 68 ARG H H 68 7.531 7.531 7.776 -0.245 19203 7242 1 18 . 1 1 69 69 LYS N N 69 115.566 115.566 117.812 -2.246 19203 7243 1 18 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.396 -0.175 19203 7244 1 18 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.462 -2.893 19203 7245 1 18 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.442 -3.449 19203 7246 1 18 . 1 1 69 69 LYS H H 69 8.664 8.664 7.769 0.895 19203 7247 1 18 . 1 1 70 70 LEU N N 70 114.943 114.943 120.061 -5.118 19203 7248 1 18 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.733 0.093 19203 7249 1 18 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.518 -4.032 19203 7250 1 18 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.053 -3.788 19203 7251 1 18 . 1 1 70 70 LEU H H 70 8.164 8.164 8.037 0.127 19203 7252 1 18 . 1 1 71 71 ASP N N 71 119.864 119.864 119.438 0.426 19203 7253 1 18 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.704 -0.312 19203 7254 1 18 . 1 1 71 71 ASP CA C 71 54.184 54.184 54.013 0.171 19203 7255 1 18 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.708 -3.245 19203 7256 1 18 . 1 1 71 71 ASP H H 71 6.910 6.910 7.786 -0.876 19203 7257 1 18 . 1 1 72 72 ASN N N 72 123.602 123.602 115.849 7.753 19203 7258 1 18 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.678 0.003 19203 7259 1 18 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.614 -2.912 19203 7260 1 18 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.894 -2.834 19203 7261 1 18 . 1 1 72 72 ASN H H 72 9.037 9.037 8.781 0.256 19203 7262 1 18 . 1 1 73 73 THR N N 73 105.063 105.063 109.870 -4.807 19203 7263 1 18 . 1 1 73 73 THR HA H 73 4.674 4.674 4.397 0.277 19203 7264 1 18 . 1 1 73 73 THR CA C 73 57.397 57.397 62.139 -4.742 19203 7265 1 18 . 1 1 73 73 THR CB C 73 70.412 70.412 70.299 0.113 19203 7266 1 18 . 1 1 73 73 THR H H 73 7.187 7.187 7.910 -0.723 19203 7267 1 18 . 1 1 74 74 LYS N N 74 120.141 120.141 122.265 -2.124 19203 7268 1 18 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.752 -1.096 19203 7269 1 18 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.212 -3.379 19203 7270 1 18 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.053 -4.147 19203 7271 1 18 . 1 1 74 74 LYS H H 74 8.384 8.384 8.562 -0.178 19203 7272 1 18 . 1 1 75 75 PHE N N 75 132.829 132.829 121.766 11.063 19203 7273 1 18 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.673 -0.357 19203 7274 1 18 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.742 -3.539 19203 7275 1 18 . 1 1 75 75 PHE CB C 75 40.456 40.456 43.577 -3.121 19203 7276 1 18 . 1 1 75 75 PHE H H 75 9.243 9.243 8.877 0.366 19203 7277 1 18 . 1 1 76 76 ARG N N 76 128.489 128.489 125.197 3.292 19203 7278 1 18 . 1 1 76 76 ARG HA H 76 4.798 4.798 5.154 -0.356 19203 7279 1 18 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.866 -3.885 19203 7280 1 18 . 1 1 76 76 ARG CB C 76 30.374 30.374 33.923 -3.549 19203 7281 1 18 . 1 1 76 76 ARG H H 76 8.293 8.293 7.927 0.366 19203 7282 1 18 . 1 1 77 77 SER N N 77 120.971 120.971 117.495 3.476 19203 7283 1 18 . 1 1 77 77 SER HA H 77 4.278 4.278 4.845 -0.567 19203 7284 1 18 . 1 1 77 77 SER CA C 77 53.406 53.406 57.322 -3.916 19203 7285 1 18 . 1 1 77 77 SER CB C 77 63.802 63.802 66.856 -3.054 19203 7286 1 18 . 1 1 77 77 SER H H 77 9.107 9.107 8.331 0.776 19203 7287 1 18 . 1 1 78 78 HIS N N 78 118.463 118.463 123.254 -4.791 19203 7288 1 18 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.488 -0.113 19203 7289 1 18 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.356 -1.465 19203 7290 1 18 . 1 1 78 78 HIS CB C 78 24.239 24.239 28.406 -4.167 19203 7291 1 18 . 1 1 78 78 HIS H H 78 9.696 9.696 9.327 0.369 19203 7292 1 18 . 1 1 79 79 GLU N N 79 116.714 116.714 121.080 -4.366 19203 7293 1 18 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.415 -0.072 19203 7294 1 18 . 1 1 79 79 GLU CA C 79 52.940 52.940 56.329 -3.389 19203 7295 1 18 . 1 1 79 79 GLU CB C 79 27.513 27.513 30.883 -3.370 19203 7296 1 18 . 1 1 79 79 GLU H H 79 7.053 7.053 8.541 -1.488 19203 7297 1 18 . 1 1 80 80 GLY N N 80 108.106 108.106 109.584 -1.478 19203 7298 1 18 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.487 -2.850 19203 7299 1 18 . 1 1 80 80 GLY H H 80 7.835 7.835 7.927 -0.092 19203 7300 1 18 . 1 1 81 81 GLU N N 81 119.017 119.017 118.802 0.215 19203 7301 1 18 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.904 -0.570 19203 7302 1 18 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.565 -0.838 19203 7303 1 18 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.789 -2.311 19203 7304 1 18 . 1 1 81 81 GLU H H 81 7.067 7.067 7.965 -0.897 19203 7305 1 18 . 1 1 82 82 THR N N 82 114.312 114.312 111.153 3.159 19203 7306 1 18 . 1 1 82 82 THR HA H 82 5.771 5.771 5.156 0.615 19203 7307 1 18 . 1 1 82 82 THR CA C 82 56.694 56.694 60.635 -3.941 19203 7308 1 18 . 1 1 82 82 THR CB C 82 69.359 69.359 72.235 -2.876 19203 7309 1 18 . 1 1 82 82 THR H H 82 8.499 8.499 8.302 0.197 19203 7310 1 18 . 1 1 83 83 ALA N N 83 123.125 123.125 124.908 -1.783 19203 7311 1 18 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.933 -0.492 19203 7312 1 18 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.331 -1.234 19203 7313 1 18 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.849 -0.350 19203 7314 1 18 . 1 1 83 83 ALA H H 83 8.674 8.674 9.039 -0.365 19203 7315 1 18 . 1 1 84 84 TYR N N 84 120.587 120.587 117.771 2.816 19203 7316 1 18 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.534 -0.561 19203 7317 1 18 . 1 1 84 84 TYR CA C 84 55.900 55.900 56.080 -0.180 19203 7318 1 18 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.240 -4.088 19203 7319 1 18 . 1 1 84 84 TYR H H 84 8.708 8.708 8.491 0.217 19203 7320 1 18 . 1 1 85 85 ILE N N 85 116.081 116.081 115.110 0.971 19203 7321 1 18 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.126 -0.274 19203 7322 1 18 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.351 -1.422 19203 7323 1 18 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.267 -3.892 19203 7324 1 18 . 1 1 85 85 ILE H H 85 8.182 8.182 9.106 -0.924 19203 7325 1 18 . 1 1 86 86 ARG N N 86 117.289 117.289 117.266 0.023 19203 7326 1 18 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.983 0.254 19203 7327 1 18 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.055 -4.908 19203 7328 1 18 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.293 -4.820 19203 7329 1 18 . 1 1 86 86 ARG H H 86 8.250 8.250 7.901 0.349 19203 7330 1 18 . 1 1 87 87 VAL N N 87 121.679 121.679 119.612 2.067 19203 7331 1 18 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.572 0.061 19203 7332 1 18 . 1 1 87 87 VAL CA C 87 58.639 58.639 61.326 -2.687 19203 7333 1 18 . 1 1 87 87 VAL CB C 87 32.629 32.629 34.096 -1.467 19203 7334 1 18 . 1 1 87 87 VAL H H 87 8.983 8.983 8.555 0.428 19203 7335 1 18 . 1 1 88 88 LYS N N 88 123.579 123.579 121.148 2.431 19203 7336 1 18 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.634 0.119 19203 7337 1 18 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.082 -2.184 19203 7338 1 18 . 1 1 88 88 LYS CB C 88 34.143 34.143 34.931 -0.788 19203 7339 1 18 . 1 1 88 88 LYS H H 88 8.679 8.679 8.469 0.210 19203 7340 1 18 . 1 1 89 89 VAL N N 89 119.787 119.787 122.367 -2.580 19203 7341 1 18 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.187 -0.062 19203 7342 1 18 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.528 -1.488 19203 7343 1 18 . 1 1 89 89 VAL CB C 89 30.341 30.341 30.282 0.059 19203 7344 1 18 . 1 1 89 89 VAL H H 89 8.454 8.454 8.781 -0.327 19203 7345 1 19 . 1 1 2 2 ALA HA H 2 4.533 4.533 5.159 -0.626 19203 7346 1 19 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.366 -3.481 19203 7347 1 19 . 1 1 2 2 ALA CB C 2 15.622 15.622 18.968 -3.346 19203 7348 1 19 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.882 -0.056 19203 7349 1 19 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.707 -4.398 19203 7350 1 19 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.673 -4.881 19203 7351 1 19 . 1 1 4 4 ARG N N 4 121.678 121.678 118.724 2.954 19203 7352 1 19 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.504 -0.283 19203 7353 1 19 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.807 -2.232 19203 7354 1 19 . 1 1 4 4 ARG CB C 4 28.467 28.467 32.475 -4.008 19203 7355 1 19 . 1 1 4 4 ARG H H 4 8.483 8.483 8.384 0.099 19203 7356 1 19 . 1 1 5 5 GLY N N 5 109.928 109.928 108.921 1.007 19203 7357 1 19 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.777 -3.109 19203 7358 1 19 . 1 1 5 5 GLY H H 5 8.344 8.344 8.597 -0.253 19203 7359 1 19 . 1 1 6 6 ARG N N 6 120.896 120.896 119.918 0.978 19203 7360 1 19 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.641 -0.499 19203 7361 1 19 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.492 -1.973 19203 7362 1 19 . 1 1 6 6 ARG CB C 6 28.218 28.218 30.791 -2.573 19203 7363 1 19 . 1 1 6 6 ARG H H 6 8.144 8.144 8.185 -0.041 19203 7364 1 19 . 1 1 7 7 TYR N N 7 121.118 121.118 118.933 2.185 19203 7365 1 19 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.564 -0.004 19203 7366 1 19 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.868 -3.063 19203 7367 1 19 . 1 1 7 7 TYR CB C 7 36.504 36.504 40.095 -3.591 19203 7368 1 19 . 1 1 7 7 TYR H H 7 8.218 8.218 7.776 0.442 19203 7369 1 19 . 1 1 8 8 GLY N N 8 110.613 110.613 111.311 -0.698 19203 7370 1 19 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.454 -2.549 19203 7371 1 19 . 1 1 8 8 GLY H H 8 8.021 8.021 7.847 0.174 19203 7372 1 19 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.567 -0.000 19203 7373 1 19 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.746 -2.946 19203 7374 1 19 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.417 -3.056 19203 7375 1 19 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.502 -0.138 19203 7376 1 19 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.701 -2.287 19203 7377 1 19 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.235 -0.768 19203 7378 1 19 . 1 1 11 11 SER N N 11 116.042 116.042 119.949 -3.907 19203 7379 1 19 . 1 1 11 11 SER HA H 11 4.394 4.394 4.396 -0.002 19203 7380 1 19 . 1 1 11 11 SER CA C 11 55.641 55.641 59.162 -3.521 19203 7381 1 19 . 1 1 11 11 SER CB C 11 61.349 61.349 63.170 -1.821 19203 7382 1 19 . 1 1 11 11 SER H H 11 8.263 8.263 8.281 -0.018 19203 7383 1 19 . 1 1 12 12 ARG N N 12 123.432 123.432 126.059 -2.627 19203 7384 1 19 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.513 -0.224 19203 7385 1 19 . 1 1 12 12 ARG CA C 12 53.311 53.311 54.987 -1.676 19203 7386 1 19 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.771 -3.046 19203 7387 1 19 . 1 1 12 12 ARG H H 12 8.317 8.317 8.024 0.293 19203 7388 1 19 . 1 1 13 13 ARG N N 13 119.550 119.550 121.568 -2.018 19203 7389 1 19 . 1 1 13 13 ARG CB C 13 28.583 28.583 31.193 -2.610 19203 7390 1 19 . 1 1 13 13 ARG H H 13 7.967 7.967 8.492 -0.525 19203 7391 1 19 . 1 1 14 14 SER N N 14 117.366 117.366 119.201 -1.835 19203 7392 1 19 . 1 1 14 14 SER HA H 14 4.588 4.588 4.604 -0.016 19203 7393 1 19 . 1 1 14 14 SER CA C 14 54.505 54.505 57.534 -3.029 19203 7394 1 19 . 1 1 14 14 SER CB C 14 63.906 63.906 64.185 -0.279 19203 7395 1 19 . 1 1 14 14 SER H H 14 8.660 8.660 8.483 0.177 19203 7396 1 19 . 1 1 15 15 GLU N N 15 116.212 116.212 120.951 -4.739 19203 7397 1 19 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.149 0.163 19203 7398 1 19 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.240 -4.293 19203 7399 1 19 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.833 -0.726 19203 7400 1 19 . 1 1 15 15 GLU H H 15 8.472 8.472 8.791 -0.319 19203 7401 1 19 . 1 1 16 16 ASN N N 16 120.295 120.295 115.028 5.267 19203 7402 1 19 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.877 0.120 19203 7403 1 19 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.450 -2.518 19203 7404 1 19 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.404 -6.093 19203 7405 1 19 . 1 1 16 16 ASN H H 16 8.326 8.326 7.873 0.453 19203 7406 1 19 . 1 1 17 17 ARG N N 17 123.774 123.774 121.134 2.640 19203 7407 1 19 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.704 0.565 19203 7408 1 19 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.235 -2.395 19203 7409 1 19 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.216 -1.794 19203 7410 1 19 . 1 1 17 17 ARG H H 17 7.726 7.726 7.794 -0.068 19203 7411 1 19 . 1 1 18 18 VAL N N 18 117.634 117.634 122.235 -4.601 19203 7412 1 19 . 1 1 18 18 VAL HA H 18 5.042 5.042 5.196 -0.154 19203 7413 1 19 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.578 -3.488 19203 7414 1 19 . 1 1 18 18 VAL CB C 18 31.746 31.746 34.962 -3.216 19203 7415 1 19 . 1 1 18 18 VAL H H 18 9.197 9.197 7.914 1.283 19203 7416 1 19 . 1 1 19 19 VAL N N 19 119.956 119.956 114.801 5.155 19203 7417 1 19 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.643 0.282 19203 7418 1 19 . 1 1 19 19 VAL CA C 19 57.771 57.771 59.328 -1.557 19203 7419 1 19 . 1 1 19 19 VAL CB C 19 31.575 31.575 34.486 -2.911 19203 7420 1 19 . 1 1 19 19 VAL H H 19 9.111 9.111 8.815 0.296 19203 7421 1 19 . 1 1 20 20 VAL N N 20 125.976 125.976 117.789 8.187 19203 7422 1 19 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.838 0.531 19203 7423 1 19 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.721 -4.207 19203 7424 1 19 . 1 1 20 20 VAL CB C 20 32.047 32.047 36.152 -4.105 19203 7425 1 19 . 1 1 20 20 VAL H H 20 8.678 8.678 8.781 -0.103 19203 7426 1 19 . 1 1 21 21 SER N N 21 117.905 117.905 115.996 1.909 19203 7427 1 19 . 1 1 21 21 SER HA H 21 5.075 5.075 5.127 -0.052 19203 7428 1 19 . 1 1 21 21 SER CA C 21 54.228 54.228 56.870 -2.642 19203 7429 1 19 . 1 1 21 21 SER CB C 21 63.312 63.312 66.515 -3.203 19203 7430 1 19 . 1 1 21 21 SER H H 21 8.917 8.917 8.395 0.522 19203 7431 1 19 . 1 1 22 22 GLY N N 22 108.144 108.144 108.489 -0.345 19203 7432 1 19 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.575 -3.110 19203 7433 1 19 . 1 1 22 22 GLY H H 22 8.079 8.079 8.328 -0.249 19203 7434 1 19 . 1 1 23 23 LEU N N 23 119.379 119.379 121.518 -2.139 19203 7435 1 19 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.206 -0.783 19203 7436 1 19 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.620 -2.747 19203 7437 1 19 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.489 -3.410 19203 7438 1 19 . 1 1 23 23 LEU H H 23 8.485 8.485 7.597 0.888 19203 7439 1 19 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.903 -3.004 19203 7440 1 19 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.399 -0.141 19203 7441 1 19 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.169 -1.410 19203 7442 1 19 . 1 1 25 25 PRO CB C 25 29.229 29.229 32.427 -3.198 19203 7443 1 19 . 1 1 26 26 SER N N 26 106.249 106.249 114.178 -7.929 19203 7444 1 19 . 1 1 26 26 SER HA H 26 4.319 4.319 4.729 -0.410 19203 7445 1 19 . 1 1 26 26 SER CA C 26 55.722 55.722 58.313 -2.591 19203 7446 1 19 . 1 1 26 26 SER CB C 26 61.171 61.171 64.355 -3.183 19203 7447 1 19 . 1 1 26 26 SER H H 26 7.309 7.309 8.326 -1.017 19203 7448 1 19 . 1 1 27 27 GLY N N 27 107.883 107.883 109.527 -1.644 19203 7449 1 19 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.531 -0.327 19203 7450 1 19 . 1 1 27 27 GLY H H 27 8.075 8.075 8.056 0.019 19203 7451 1 19 . 1 1 28 28 SER N N 28 123.917 123.917 117.050 6.867 19203 7452 1 19 . 1 1 28 28 SER HA H 28 4.903 4.903 4.621 0.282 19203 7453 1 19 . 1 1 28 28 SER CA C 28 53.260 53.260 56.440 -3.180 19203 7454 1 19 . 1 1 28 28 SER CB C 28 64.609 64.609 65.934 -1.325 19203 7455 1 19 . 1 1 28 28 SER H H 28 9.021 9.021 8.140 0.881 19203 7456 1 19 . 1 1 29 29 TRP N N 29 120.079 120.079 119.879 0.200 19203 7457 1 19 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.361 -0.337 19203 7458 1 19 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.393 -1.329 19203 7459 1 19 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.869 -3.647 19203 7460 1 19 . 1 1 29 29 TRP H H 29 9.042 9.042 8.367 0.675 19203 7461 1 19 . 1 1 30 30 GLN N N 30 123.085 123.085 121.009 2.076 19203 7462 1 19 . 1 1 30 30 GLN HA H 30 3.194 3.194 4.210 -1.016 19203 7463 1 19 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.084 -2.118 19203 7464 1 19 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.489 -2.805 19203 7465 1 19 . 1 1 30 30 GLN H H 30 7.587 7.587 7.968 -0.381 19203 7466 1 19 . 1 1 31 31 ASP N N 31 120.127 120.127 119.685 0.442 19203 7467 1 19 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.415 -0.265 19203 7468 1 19 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.050 -2.715 19203 7469 1 19 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.464 -1.192 19203 7470 1 19 . 1 1 31 31 ASP H H 31 7.697 7.697 8.288 -0.591 19203 7471 1 19 . 1 1 32 32 LEU N N 32 122.010 122.010 121.661 0.349 19203 7472 1 19 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.214 -0.009 19203 7473 1 19 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.396 -2.857 19203 7474 1 19 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.454 -2.453 19203 7475 1 19 . 1 1 32 32 LEU H H 32 8.260 8.260 8.213 0.047 19203 7476 1 19 . 1 1 33 33 LYS N N 33 120.333 120.333 119.041 1.292 19203 7477 1 19 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.065 -0.553 19203 7478 1 19 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.610 -1.125 19203 7479 1 19 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.396 -2.757 19203 7480 1 19 . 1 1 33 33 LYS H H 33 8.506 8.506 8.452 0.054 19203 7481 1 19 . 1 1 34 34 ASP N N 34 117.666 117.666 117.703 -0.037 19203 7482 1 19 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.600 -0.317 19203 7483 1 19 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.221 -1.339 19203 7484 1 19 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.314 -3.774 19203 7485 1 19 . 1 1 34 34 ASP H H 34 8.353 8.353 7.945 0.408 19203 7486 1 19 . 1 1 35 35 HIS N N 35 119.654 119.654 119.735 -0.081 19203 7487 1 19 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.710 -0.603 19203 7488 1 19 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.676 -0.352 19203 7489 1 19 . 1 1 35 35 HIS CB C 35 30.265 30.265 32.489 -2.224 19203 7490 1 19 . 1 1 35 35 HIS H H 35 7.943 7.943 8.266 -0.323 19203 7491 1 19 . 1 1 36 36 MET N N 36 111.628 111.628 121.895 -10.267 19203 7492 1 19 . 1 1 36 36 MET HA H 36 4.572 4.572 4.574 -0.002 19203 7493 1 19 . 1 1 36 36 MET CA C 36 52.172 52.172 55.817 -3.645 19203 7494 1 19 . 1 1 36 36 MET CB C 36 31.060 31.060 32.024 -0.964 19203 7495 1 19 . 1 1 36 36 MET H H 36 7.812 7.812 8.536 -0.724 19203 7496 1 19 . 1 1 37 37 ARG N N 37 119.419 119.419 120.422 -1.003 19203 7497 1 19 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.669 -0.036 19203 7498 1 19 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.014 -0.607 19203 7499 1 19 . 1 1 37 37 ARG CB C 37 27.001 27.001 31.050 -4.049 19203 7500 1 19 . 1 1 37 37 ARG H H 37 7.929 7.929 8.527 -0.598 19203 7501 1 19 . 1 1 38 38 GLU N N 38 118.450 118.450 122.979 -4.529 19203 7502 1 19 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.226 -0.239 19203 7503 1 19 . 1 1 38 38 GLU CA C 38 55.587 55.587 58.437 -2.850 19203 7504 1 19 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.587 -2.130 19203 7505 1 19 . 1 1 38 38 GLU H H 38 7.524 7.524 8.714 -1.190 19203 7506 1 19 . 1 1 39 39 ALA N N 39 118.496 118.496 119.078 -0.582 19203 7507 1 19 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.567 -0.588 19203 7508 1 19 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.244 -2.018 19203 7509 1 19 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.701 -2.043 19203 7510 1 19 . 1 1 39 39 ALA H H 39 7.958 7.958 7.977 -0.019 19203 7511 1 19 . 1 1 40 40 GLY N N 40 101.970 101.970 104.231 -2.261 19203 7512 1 19 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.506 -2.986 19203 7513 1 19 . 1 1 40 40 GLY H H 40 7.172 7.172 7.401 -0.229 19203 7514 1 19 . 1 1 41 41 ASP N N 41 116.412 116.412 123.001 -6.589 19203 7515 1 19 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.700 -0.249 19203 7516 1 19 . 1 1 41 41 ASP CA C 41 53.248 53.248 54.496 -1.248 19203 7517 1 19 . 1 1 41 41 ASP CB C 41 38.386 38.386 40.145 -1.759 19203 7518 1 19 . 1 1 41 41 ASP H H 41 7.917 7.917 8.319 -0.402 19203 7519 1 19 . 1 1 42 42 VAL N N 42 128.043 128.043 120.938 7.105 19203 7520 1 19 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.309 0.717 19203 7521 1 19 . 1 1 42 42 VAL CA C 42 58.823 58.823 63.005 -4.183 19203 7522 1 19 . 1 1 42 42 VAL CB C 42 31.944 31.944 31.948 -0.004 19203 7523 1 19 . 1 1 42 42 VAL H H 42 8.366 8.366 7.837 0.529 19203 7524 1 19 . 1 1 43 43 CYS N N 43 122.686 122.686 126.460 -3.774 19203 7525 1 19 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.513 0.266 19203 7526 1 19 . 1 1 43 43 CYS CA C 43 54.138 54.138 58.446 -4.308 19203 7527 1 19 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.574 -1.919 19203 7528 1 19 . 1 1 43 43 CYS H H 43 8.800 8.800 8.272 0.528 19203 7529 1 19 . 1 1 44 44 TYR N N 44 122.582 122.582 119.620 2.962 19203 7530 1 19 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.494 -0.058 19203 7531 1 19 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.231 -2.443 19203 7532 1 19 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.460 -1.657 19203 7533 1 19 . 1 1 44 44 TYR H H 44 7.420 7.420 7.581 -0.161 19203 7534 1 19 . 1 1 45 45 ALA N N 45 127.108 127.108 127.635 -0.527 19203 7535 1 19 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.875 0.066 19203 7536 1 19 . 1 1 45 45 ALA CA C 45 48.035 48.035 50.904 -2.869 19203 7537 1 19 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.132 -1.893 19203 7538 1 19 . 1 1 45 45 ALA H H 45 7.107 7.107 7.828 -0.721 19203 7539 1 19 . 1 1 46 46 ASP N N 46 117.612 117.612 120.585 -2.973 19203 7540 1 19 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.787 -0.164 19203 7541 1 19 . 1 1 46 46 ASP CA C 46 50.519 50.519 54.100 -3.581 19203 7542 1 19 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.488 -2.695 19203 7543 1 19 . 1 1 46 46 ASP H H 46 8.463 8.463 8.795 -0.332 19203 7544 1 19 . 1 1 47 47 VAL N N 47 116.535 116.535 118.384 -1.849 19203 7545 1 19 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.735 -0.489 19203 7546 1 19 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.171 -2.114 19203 7547 1 19 . 1 1 47 47 VAL CB C 47 32.901 32.901 35.226 -2.325 19203 7548 1 19 . 1 1 47 47 VAL H H 47 8.096 8.096 8.433 -0.337 19203 7549 1 19 . 1 1 48 48 TYR N N 48 124.428 124.428 117.978 6.450 19203 7550 1 19 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.976 -0.033 19203 7551 1 19 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.542 -3.274 19203 7552 1 19 . 1 1 48 48 TYR CB C 48 36.185 36.185 38.676 -2.491 19203 7553 1 19 . 1 1 48 48 TYR H H 48 8.673 8.673 7.591 1.082 19203 7554 1 19 . 1 1 49 49 ARG N N 49 117.750 117.750 120.727 -2.977 19203 7555 1 19 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.460 -0.271 19203 7556 1 19 . 1 1 49 49 ARG CA C 49 55.114 55.114 56.143 -1.029 19203 7557 1 19 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.218 -2.507 19203 7558 1 19 . 1 1 49 49 ARG H H 49 8.520 8.520 8.778 -0.258 19203 7559 1 19 . 1 1 50 50 ASP N N 50 117.696 117.696 119.582 -1.886 19203 7560 1 19 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.883 -0.303 19203 7561 1 19 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.152 -2.976 19203 7562 1 19 . 1 1 50 50 ASP CB C 50 37.905 37.905 43.119 -5.214 19203 7563 1 19 . 1 1 50 50 ASP H H 50 7.960 7.960 7.595 0.365 19203 7564 1 19 . 1 1 51 51 GLY N N 51 108.367 108.367 104.654 3.713 19203 7565 1 19 . 1 1 51 51 GLY CA C 51 43.563 43.563 44.736 -1.173 19203 7566 1 19 . 1 1 51 51 GLY H H 51 8.053 8.053 8.447 -0.394 19203 7567 1 19 . 1 1 52 52 THR N N 52 109.991 109.991 111.086 -1.095 19203 7568 1 19 . 1 1 52 52 THR HA H 52 5.497 5.497 4.970 0.527 19203 7569 1 19 . 1 1 52 52 THR CA C 52 57.040 57.040 59.718 -2.678 19203 7570 1 19 . 1 1 52 52 THR CB C 52 69.847 69.847 72.108 -2.261 19203 7571 1 19 . 1 1 52 52 THR H H 52 7.637 7.637 7.270 0.367 19203 7572 1 19 . 1 1 53 53 GLY N N 53 105.727 105.727 105.970 -0.243 19203 7573 1 19 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.376 -2.078 19203 7574 1 19 . 1 1 53 53 GLY H H 53 8.801 8.801 7.954 0.847 19203 7575 1 19 . 1 1 54 54 VAL N N 54 117.327 117.327 118.715 -1.388 19203 7576 1 19 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.489 0.868 19203 7577 1 19 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.161 -4.341 19203 7578 1 19 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.401 -2.678 19203 7579 1 19 . 1 1 54 54 VAL H H 54 8.585 8.585 8.969 -0.384 19203 7580 1 19 . 1 1 55 55 VAL N N 55 120.925 120.925 123.437 -2.512 19203 7581 1 19 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.953 -0.322 19203 7582 1 19 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.309 -2.329 19203 7583 1 19 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.098 -3.310 19203 7584 1 19 . 1 1 55 55 VAL H H 55 8.475 8.475 9.115 -0.640 19203 7585 1 19 . 1 1 56 56 GLU N N 56 123.932 123.932 120.301 3.631 19203 7586 1 19 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.962 0.036 19203 7587 1 19 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.822 -4.463 19203 7588 1 19 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.503 -4.429 19203 7589 1 19 . 1 1 56 56 GLU H H 56 8.896 8.896 8.275 0.621 19203 7590 1 19 . 1 1 57 57 PHE N N 57 120.441 120.441 122.952 -2.511 19203 7591 1 19 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.792 0.197 19203 7592 1 19 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.153 -2.078 19203 7593 1 19 . 1 1 57 57 PHE CB C 57 39.280 39.280 41.730 -2.450 19203 7594 1 19 . 1 1 57 57 PHE H H 57 8.549 8.549 9.297 -0.748 19203 7595 1 19 . 1 1 58 58 VAL N N 58 125.263 125.263 116.242 9.021 19203 7596 1 19 . 1 1 58 58 VAL HA H 58 3.572 3.572 4.151 -0.579 19203 7597 1 19 . 1 1 58 58 VAL CA C 58 64.393 64.393 63.903 0.490 19203 7598 1 19 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.492 -2.932 19203 7599 1 19 . 1 1 58 58 VAL H H 58 8.123 8.123 8.501 -0.378 19203 7600 1 19 . 1 1 59 59 ARG N N 59 117.434 117.434 118.149 -0.715 19203 7601 1 19 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.476 0.237 19203 7602 1 19 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.216 -3.175 19203 7603 1 19 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.362 -3.754 19203 7604 1 19 . 1 1 59 59 ARG H H 59 9.504 9.504 7.476 2.028 19203 7605 1 19 . 1 1 60 60 LYS N N 60 127.390 127.390 123.118 4.272 19203 7606 1 19 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.052 -0.426 19203 7607 1 19 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.169 -1.744 19203 7608 1 19 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.456 -2.816 19203 7609 1 19 . 1 1 60 60 LYS H H 60 8.955 8.955 8.861 0.094 19203 7610 1 19 . 1 1 61 61 GLU N N 61 117.610 117.610 118.877 -1.267 19203 7611 1 19 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.011 -0.038 19203 7612 1 19 . 1 1 61 61 GLU CA C 61 56.872 56.872 60.222 -3.350 19203 7613 1 19 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.335 -3.244 19203 7614 1 19 . 1 1 61 61 GLU H H 61 9.814 9.814 8.712 1.102 19203 7615 1 19 . 1 1 62 62 ASP N N 62 121.439 121.439 119.716 1.723 19203 7616 1 19 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.518 -0.169 19203 7617 1 19 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.906 -3.482 19203 7618 1 19 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.707 -3.437 19203 7619 1 19 . 1 1 62 62 ASP H H 62 6.760 6.760 7.761 -1.001 19203 7620 1 19 . 1 1 63 63 MET N N 63 120.225 120.225 120.499 -0.274 19203 7621 1 19 . 1 1 63 63 MET HA H 63 3.070 3.070 3.011 0.059 19203 7622 1 19 . 1 1 63 63 MET CA C 63 56.211 56.211 59.281 -3.070 19203 7623 1 19 . 1 1 63 63 MET CB C 63 30.414 30.414 32.491 -2.077 19203 7624 1 19 . 1 1 63 63 MET H H 63 6.863 6.863 8.188 -1.325 19203 7625 1 19 . 1 1 64 64 THR N N 64 113.874 113.874 115.363 -1.489 19203 7626 1 19 . 1 1 64 64 THR HA H 64 3.663 3.663 3.777 -0.114 19203 7627 1 19 . 1 1 64 64 THR CA C 64 63.733 63.733 66.543 -2.810 19203 7628 1 19 . 1 1 64 64 THR CB C 64 65.692 65.692 68.620 -2.928 19203 7629 1 19 . 1 1 64 64 THR H H 64 7.900 7.900 8.245 -0.345 19203 7630 1 19 . 1 1 65 65 TYR N N 65 122.573 122.573 122.023 0.550 19203 7631 1 19 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.010 -0.005 19203 7632 1 19 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.733 -3.283 19203 7633 1 19 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.344 -2.646 19203 7634 1 19 . 1 1 65 65 TYR H H 65 7.530 7.530 7.646 -0.116 19203 7635 1 19 . 1 1 66 66 ALA N N 66 120.898 120.898 121.337 -0.439 19203 7636 1 19 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.072 -0.434 19203 7637 1 19 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.295 -2.273 19203 7638 1 19 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.015 -1.433 19203 7639 1 19 . 1 1 66 66 ALA H H 66 8.144 8.144 7.783 0.361 19203 7640 1 19 . 1 1 67 67 VAL N N 67 115.474 115.474 116.647 -1.173 19203 7641 1 19 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.757 -0.441 19203 7642 1 19 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.935 -1.286 19203 7643 1 19 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.668 -2.206 19203 7644 1 19 . 1 1 67 67 VAL H H 67 7.602 7.602 7.507 0.095 19203 7645 1 19 . 1 1 68 68 ARG N N 68 116.635 116.635 116.256 0.379 19203 7646 1 19 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.409 -0.367 19203 7647 1 19 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.977 -0.988 19203 7648 1 19 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.572 -3.120 19203 7649 1 19 . 1 1 68 68 ARG H H 68 7.531 7.531 7.605 -0.074 19203 7650 1 19 . 1 1 69 69 LYS N N 69 115.566 115.566 117.018 -1.452 19203 7651 1 19 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.453 -0.232 19203 7652 1 19 . 1 1 69 69 LYS CA C 69 53.569 53.569 55.758 -2.189 19203 7653 1 19 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.629 -3.636 19203 7654 1 19 . 1 1 69 69 LYS H H 69 8.664 8.664 8.290 0.374 19203 7655 1 19 . 1 1 70 70 LEU N N 70 114.943 114.943 120.716 -5.773 19203 7656 1 19 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.556 0.270 19203 7657 1 19 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.171 -3.685 19203 7658 1 19 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.738 -3.473 19203 7659 1 19 . 1 1 70 70 LEU H H 70 8.164 8.164 8.015 0.149 19203 7660 1 19 . 1 1 71 71 ASP N N 71 119.864 119.864 119.211 0.653 19203 7661 1 19 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.659 -0.267 19203 7662 1 19 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.513 0.671 19203 7663 1 19 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.938 -3.475 19203 7664 1 19 . 1 1 71 71 ASP H H 71 6.910 6.910 7.646 -0.736 19203 7665 1 19 . 1 1 72 72 ASN N N 72 123.602 123.602 115.771 7.831 19203 7666 1 19 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.501 0.180 19203 7667 1 19 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.576 -2.874 19203 7668 1 19 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.809 -2.749 19203 7669 1 19 . 1 1 72 72 ASN H H 72 9.037 9.037 8.547 0.490 19203 7670 1 19 . 1 1 73 73 THR N N 73 105.063 105.063 108.915 -3.852 19203 7671 1 19 . 1 1 73 73 THR HA H 73 4.674 4.674 4.420 0.254 19203 7672 1 19 . 1 1 73 73 THR CA C 73 57.397 57.397 61.745 -4.348 19203 7673 1 19 . 1 1 73 73 THR CB C 73 70.412 70.412 70.248 0.164 19203 7674 1 19 . 1 1 73 73 THR H H 73 7.187 7.187 7.385 -0.198 19203 7675 1 19 . 1 1 74 74 LYS N N 74 120.141 120.141 121.873 -1.732 19203 7676 1 19 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.654 -0.998 19203 7677 1 19 . 1 1 74 74 LYS CA C 74 53.833 53.833 57.461 -3.628 19203 7678 1 19 . 1 1 74 74 LYS CB C 74 29.905 29.905 33.811 -3.906 19203 7679 1 19 . 1 1 74 74 LYS H H 74 8.384 8.384 8.479 -0.095 19203 7680 1 19 . 1 1 75 75 PHE N N 75 132.829 132.829 120.361 12.468 19203 7681 1 19 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.183 0.133 19203 7682 1 19 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.201 -2.998 19203 7683 1 19 . 1 1 75 75 PHE CB C 75 40.456 40.456 43.275 -2.819 19203 7684 1 19 . 1 1 75 75 PHE H H 75 9.243 9.243 8.783 0.460 19203 7685 1 19 . 1 1 76 76 ARG N N 76 128.489 128.489 125.554 2.935 19203 7686 1 19 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.392 0.406 19203 7687 1 19 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.771 -3.790 19203 7688 1 19 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.575 -1.201 19203 7689 1 19 . 1 1 76 76 ARG H H 76 8.293 8.293 6.836 1.457 19203 7690 1 19 . 1 1 77 77 SER N N 77 120.971 120.971 117.984 2.987 19203 7691 1 19 . 1 1 77 77 SER HA H 77 4.278 4.278 4.625 -0.347 19203 7692 1 19 . 1 1 77 77 SER CA C 77 53.406 53.406 56.728 -3.322 19203 7693 1 19 . 1 1 77 77 SER CB C 77 63.802 63.802 65.330 -1.528 19203 7694 1 19 . 1 1 77 77 SER H H 77 9.107 9.107 8.508 0.599 19203 7695 1 19 . 1 1 78 78 HIS N N 78 118.463 118.463 119.031 -0.568 19203 7696 1 19 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.581 -0.206 19203 7697 1 19 . 1 1 78 78 HIS CA C 78 55.891 55.891 56.714 -0.823 19203 7698 1 19 . 1 1 78 78 HIS CB C 78 24.239 24.239 30.242 -6.003 19203 7699 1 19 . 1 1 78 78 HIS H H 78 9.696 9.696 8.745 0.951 19203 7700 1 19 . 1 1 79 79 GLU N N 79 116.714 116.714 119.441 -2.727 19203 7701 1 19 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.409 -0.066 19203 7702 1 19 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.638 -2.698 19203 7703 1 19 . 1 1 79 79 GLU CB C 79 27.513 27.513 28.527 -1.014 19203 7704 1 19 . 1 1 79 79 GLU H H 79 7.053 7.053 8.333 -1.280 19203 7705 1 19 . 1 1 80 80 GLY N N 80 108.106 108.106 108.316 -0.210 19203 7706 1 19 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.917 -3.280 19203 7707 1 19 . 1 1 80 80 GLY H H 80 7.835 7.835 8.104 -0.269 19203 7708 1 19 . 1 1 81 81 GLU N N 81 119.017 119.017 117.374 1.643 19203 7709 1 19 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.792 -0.458 19203 7710 1 19 . 1 1 81 81 GLU CA C 81 53.727 53.727 53.998 -0.271 19203 7711 1 19 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.641 -2.163 19203 7712 1 19 . 1 1 81 81 GLU H H 81 7.067 7.067 7.942 -0.875 19203 7713 1 19 . 1 1 82 82 THR N N 82 114.312 114.312 110.172 4.140 19203 7714 1 19 . 1 1 82 82 THR HA H 82 5.771 5.771 4.889 0.882 19203 7715 1 19 . 1 1 82 82 THR CA C 82 56.694 56.694 60.143 -3.449 19203 7716 1 19 . 1 1 82 82 THR CB C 82 69.359 69.359 71.463 -2.104 19203 7717 1 19 . 1 1 82 82 THR H H 82 8.499 8.499 8.186 0.313 19203 7718 1 19 . 1 1 83 83 ALA N N 83 123.125 123.125 128.028 -4.903 19203 7719 1 19 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.817 -0.376 19203 7720 1 19 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.626 -1.529 19203 7721 1 19 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.344 0.155 19203 7722 1 19 . 1 1 83 83 ALA H H 83 8.674 8.674 8.652 0.022 19203 7723 1 19 . 1 1 84 84 TYR N N 84 120.587 120.587 116.059 4.528 19203 7724 1 19 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.672 -0.699 19203 7725 1 19 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.738 0.162 19203 7726 1 19 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.873 -4.721 19203 7727 1 19 . 1 1 84 84 TYR H H 84 8.708 8.708 8.289 0.419 19203 7728 1 19 . 1 1 85 85 ILE N N 85 116.081 116.081 113.324 2.757 19203 7729 1 19 . 1 1 85 85 ILE HA H 85 4.852 4.852 4.911 -0.059 19203 7730 1 19 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.862 -1.933 19203 7731 1 19 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.563 -4.189 19203 7732 1 19 . 1 1 85 85 ILE H H 85 8.182 8.182 8.977 -0.795 19203 7733 1 19 . 1 1 86 86 ARG N N 86 117.289 117.289 120.938 -3.649 19203 7734 1 19 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.745 0.492 19203 7735 1 19 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.266 -5.119 19203 7736 1 19 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.308 -4.835 19203 7737 1 19 . 1 1 86 86 ARG H H 86 8.250 8.250 8.459 -0.209 19203 7738 1 19 . 1 1 87 87 VAL N N 87 121.679 121.679 125.048 -3.369 19203 7739 1 19 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.276 0.357 19203 7740 1 19 . 1 1 87 87 VAL CA C 87 58.639 58.639 63.009 -4.370 19203 7741 1 19 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.627 0.003 19203 7742 1 19 . 1 1 87 87 VAL H H 87 8.983 8.983 8.647 0.336 19203 7743 1 19 . 1 1 88 88 LYS N N 88 123.579 123.579 124.419 -0.840 19203 7744 1 19 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.640 0.113 19203 7745 1 19 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.269 -2.370 19203 7746 1 19 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.501 -1.358 19203 7747 1 19 . 1 1 88 88 LYS H H 88 8.679 8.679 8.590 0.089 19203 7748 1 19 . 1 1 89 89 VAL N N 89 119.787 119.787 121.894 -2.107 19203 7749 1 19 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.191 -0.066 19203 7750 1 19 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.253 -1.213 19203 7751 1 19 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.603 -1.262 19203 7752 1 19 . 1 1 89 89 VAL H H 89 8.454 8.454 8.564 -0.110 19203 7753 1 20 . 1 1 2 2 ALA HA H 2 4.533 4.533 4.903 -0.370 19203 7754 1 20 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.099 -3.214 19203 7755 1 20 . 1 1 2 2 ALA CB C 2 15.622 15.622 20.162 -4.540 19203 7756 1 20 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.697 0.129 19203 7757 1 20 . 1 1 3 3 PRO CA C 3 58.309 58.309 63.030 -4.721 19203 7758 1 20 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.285 -4.493 19203 7759 1 20 . 1 1 4 4 ARG N N 4 121.678 121.678 119.643 2.035 19203 7760 1 20 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.569 -0.348 19203 7761 1 20 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.746 -2.171 19203 7762 1 20 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.346 -2.879 19203 7763 1 20 . 1 1 4 4 ARG H H 4 8.483 8.483 8.700 -0.217 19203 7764 1 20 . 1 1 5 5 GLY N N 5 109.928 109.928 109.463 0.465 19203 7765 1 20 . 1 1 5 5 GLY CA C 5 42.668 42.668 44.921 -2.253 19203 7766 1 20 . 1 1 5 5 GLY H H 5 8.344 8.344 8.341 0.003 19203 7767 1 20 . 1 1 6 6 ARG N N 6 120.896 120.896 120.621 0.275 19203 7768 1 20 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.612 -0.470 19203 7769 1 20 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.262 -1.743 19203 7770 1 20 . 1 1 6 6 ARG CB C 6 28.218 28.218 32.883 -4.665 19203 7771 1 20 . 1 1 6 6 ARG H H 6 8.144 8.144 7.990 0.154 19203 7772 1 20 . 1 1 7 7 TYR N N 7 121.118 121.118 120.723 0.395 19203 7773 1 20 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.373 0.187 19203 7774 1 20 . 1 1 7 7 TYR CA C 7 54.805 54.805 59.305 -4.500 19203 7775 1 20 . 1 1 7 7 TYR CB C 7 36.504 36.504 38.600 -2.096 19203 7776 1 20 . 1 1 7 7 TYR H H 7 8.218 8.218 8.493 -0.275 19203 7777 1 20 . 1 1 8 8 GLY N N 8 110.613 110.613 113.865 -3.252 19203 7778 1 20 . 1 1 8 8 GLY CA C 8 41.905 41.905 43.800 -1.895 19203 7779 1 20 . 1 1 8 8 GLY H H 8 8.021 8.021 8.195 -0.174 19203 7780 1 20 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.662 -0.095 19203 7781 1 20 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.565 -2.765 19203 7782 1 20 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.439 -3.079 19203 7783 1 20 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.447 -0.083 19203 7784 1 20 . 1 1 10 10 PRO CA C 10 60.414 60.414 62.847 -2.433 19203 7785 1 20 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.523 -1.056 19203 7786 1 20 . 1 1 11 11 SER N N 11 116.042 116.042 120.783 -4.741 19203 7787 1 20 . 1 1 11 11 SER HA H 11 4.394 4.394 4.503 -0.109 19203 7788 1 20 . 1 1 11 11 SER CA C 11 55.641 55.641 58.700 -3.058 19203 7789 1 20 . 1 1 11 11 SER CB C 11 61.349 61.349 63.641 -2.292 19203 7790 1 20 . 1 1 11 11 SER H H 11 8.263 8.263 8.187 0.076 19203 7791 1 20 . 1 1 12 12 ARG N N 12 123.432 123.432 125.083 -1.651 19203 7792 1 20 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.491 -0.202 19203 7793 1 20 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.212 -1.901 19203 7794 1 20 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.354 -2.628 19203 7795 1 20 . 1 1 12 12 ARG H H 12 8.317 8.317 8.491 -0.174 19203 7796 1 20 . 1 1 13 13 ARG N N 13 119.550 119.550 120.722 -1.172 19203 7797 1 20 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.493 -1.910 19203 7798 1 20 . 1 1 13 13 ARG H H 13 7.967 7.967 8.601 -0.634 19203 7799 1 20 . 1 1 14 14 SER N N 14 117.366 117.366 117.977 -0.611 19203 7800 1 20 . 1 1 14 14 SER HA H 14 4.588 4.588 4.482 0.106 19203 7801 1 20 . 1 1 14 14 SER CA C 14 54.505 54.505 58.237 -3.732 19203 7802 1 20 . 1 1 14 14 SER CB C 14 63.906 63.906 64.174 -0.268 19203 7803 1 20 . 1 1 14 14 SER H H 14 8.660 8.660 8.497 0.163 19203 7804 1 20 . 1 1 15 15 GLU N N 15 116.212 116.212 120.971 -4.759 19203 7805 1 20 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.159 0.153 19203 7806 1 20 . 1 1 15 15 GLU CA C 15 52.947 52.947 57.442 -4.495 19203 7807 1 20 . 1 1 15 15 GLU CB C 15 27.107 27.107 27.503 -0.396 19203 7808 1 20 . 1 1 15 15 GLU H H 15 8.472 8.472 8.960 -0.488 19203 7809 1 20 . 1 1 16 16 ASN N N 16 120.295 120.295 113.764 6.531 19203 7810 1 20 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.925 0.072 19203 7811 1 20 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.779 -2.848 19203 7812 1 20 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.420 -6.109 19203 7813 1 20 . 1 1 16 16 ASN H H 16 8.326 8.326 8.364 -0.037 19203 7814 1 20 . 1 1 17 17 ARG N N 17 123.774 123.774 122.378 1.396 19203 7815 1 20 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.991 0.278 19203 7816 1 20 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.345 -2.505 19203 7817 1 20 . 1 1 17 17 ARG CB C 17 31.422 31.422 31.828 -0.406 19203 7818 1 20 . 1 1 17 17 ARG H H 17 7.726 7.726 7.615 0.111 19203 7819 1 20 . 1 1 18 18 VAL N N 18 117.634 117.634 122.851 -5.217 19203 7820 1 20 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.722 0.320 19203 7821 1 20 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.037 -2.947 19203 7822 1 20 . 1 1 18 18 VAL CB C 18 31.746 31.746 34.575 -2.829 19203 7823 1 20 . 1 1 18 18 VAL H H 18 9.197 9.197 8.668 0.529 19203 7824 1 20 . 1 1 19 19 VAL N N 19 119.956 119.956 114.146 5.810 19203 7825 1 20 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.678 0.247 19203 7826 1 20 . 1 1 19 19 VAL CA C 19 57.771 57.771 59.880 -2.108 19203 7827 1 20 . 1 1 19 19 VAL CB C 19 31.575 31.575 34.810 -3.235 19203 7828 1 20 . 1 1 19 19 VAL H H 19 9.111 9.111 8.910 0.201 19203 7829 1 20 . 1 1 20 20 VAL N N 20 125.976 125.976 117.639 8.337 19203 7830 1 20 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.940 0.429 19203 7831 1 20 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.536 -4.022 19203 7832 1 20 . 1 1 20 20 VAL CB C 20 32.047 32.047 36.001 -3.954 19203 7833 1 20 . 1 1 20 20 VAL H H 20 8.678 8.678 8.618 0.060 19203 7834 1 20 . 1 1 21 21 SER N N 21 117.905 117.905 115.518 2.387 19203 7835 1 20 . 1 1 21 21 SER HA H 21 5.075 5.075 5.300 -0.225 19203 7836 1 20 . 1 1 21 21 SER CA C 21 54.228 54.228 56.427 -2.199 19203 7837 1 20 . 1 1 21 21 SER CB C 21 63.312 63.312 65.442 -2.130 19203 7838 1 20 . 1 1 21 21 SER H H 21 8.917 8.917 8.774 0.143 19203 7839 1 20 . 1 1 22 22 GLY N N 22 108.144 108.144 111.871 -3.727 19203 7840 1 20 . 1 1 22 22 GLY CA C 22 42.465 42.465 44.836 -2.371 19203 7841 1 20 . 1 1 22 22 GLY H H 22 8.079 8.079 8.592 -0.513 19203 7842 1 20 . 1 1 23 23 LEU N N 23 119.379 119.379 122.105 -2.726 19203 7843 1 20 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.156 -0.733 19203 7844 1 20 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.561 -2.688 19203 7845 1 20 . 1 1 23 23 LEU CB C 23 38.078 38.078 41.483 -3.405 19203 7846 1 20 . 1 1 23 23 LEU H H 23 8.485 8.485 7.307 1.178 19203 7847 1 20 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.999 -3.100 19203 7848 1 20 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.387 -0.129 19203 7849 1 20 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.268 -1.509 19203 7850 1 20 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.910 -2.681 19203 7851 1 20 . 1 1 26 26 SER N N 26 106.249 106.249 113.273 -7.024 19203 7852 1 20 . 1 1 26 26 SER HA H 26 4.319 4.319 4.778 -0.459 19203 7853 1 20 . 1 1 26 26 SER CA C 26 55.722 55.722 58.179 -2.458 19203 7854 1 20 . 1 1 26 26 SER CB C 26 61.171 61.171 63.795 -2.624 19203 7855 1 20 . 1 1 26 26 SER H H 26 7.309 7.309 8.178 -0.869 19203 7856 1 20 . 1 1 27 27 GLY N N 27 107.883 107.883 108.525 -0.642 19203 7857 1 20 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.526 -0.322 19203 7858 1 20 . 1 1 27 27 GLY H H 27 8.075 8.075 7.591 0.484 19203 7859 1 20 . 1 1 28 28 SER N N 28 123.917 123.917 120.739 3.178 19203 7860 1 20 . 1 1 28 28 SER HA H 28 4.903 4.903 4.583 0.320 19203 7861 1 20 . 1 1 28 28 SER CA C 28 53.260 53.260 57.769 -4.509 19203 7862 1 20 . 1 1 28 28 SER CB C 28 64.609 64.609 64.627 -0.019 19203 7863 1 20 . 1 1 28 28 SER H H 28 9.021 9.021 8.647 0.374 19203 7864 1 20 . 1 1 29 29 TRP N N 29 120.079 120.079 123.335 -3.256 19203 7865 1 20 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.264 -0.240 19203 7866 1 20 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.687 -1.623 19203 7867 1 20 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.534 -3.312 19203 7868 1 20 . 1 1 29 29 TRP H H 29 9.042 9.042 8.773 0.269 19203 7869 1 20 . 1 1 30 30 GLN N N 30 123.085 123.085 120.444 2.641 19203 7870 1 20 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.888 -0.694 19203 7871 1 20 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.541 -2.575 19203 7872 1 20 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.764 -3.080 19203 7873 1 20 . 1 1 30 30 GLN H H 30 7.587 7.587 7.684 -0.097 19203 7874 1 20 . 1 1 31 31 ASP N N 31 120.127 120.127 119.362 0.765 19203 7875 1 20 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.395 -0.245 19203 7876 1 20 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.078 -2.743 19203 7877 1 20 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.154 -0.882 19203 7878 1 20 . 1 1 31 31 ASP H H 31 7.697 7.697 7.901 -0.204 19203 7879 1 20 . 1 1 32 32 LEU N N 32 122.010 122.010 121.739 0.271 19203 7880 1 20 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.394 -0.189 19203 7881 1 20 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.046 -2.507 19203 7882 1 20 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.665 -2.664 19203 7883 1 20 . 1 1 32 32 LEU H H 32 8.260 8.260 8.053 0.207 19203 7884 1 20 . 1 1 33 33 LYS N N 33 120.333 120.333 119.891 0.442 19203 7885 1 20 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.030 -0.518 19203 7886 1 20 . 1 1 33 33 LYS CA C 33 58.485 58.485 60.472 -1.987 19203 7887 1 20 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.407 -2.768 19203 7888 1 20 . 1 1 33 33 LYS H H 33 8.506 8.506 8.489 0.017 19203 7889 1 20 . 1 1 34 34 ASP N N 34 117.666 117.666 116.842 0.824 19203 7890 1 20 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.460 -0.177 19203 7891 1 20 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.938 -2.056 19203 7892 1 20 . 1 1 34 34 ASP CB C 34 37.540 37.540 40.921 -3.381 19203 7893 1 20 . 1 1 34 34 ASP H H 34 8.353 8.353 8.268 0.085 19203 7894 1 20 . 1 1 35 35 HIS N N 35 119.654 119.654 116.836 2.818 19203 7895 1 20 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.652 -0.545 19203 7896 1 20 . 1 1 35 35 HIS CA C 35 57.324 57.324 58.359 -1.035 19203 7897 1 20 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.050 -0.785 19203 7898 1 20 . 1 1 35 35 HIS H H 35 7.943 7.943 7.702 0.241 19203 7899 1 20 . 1 1 36 36 MET N N 36 111.628 111.628 120.821 -9.193 19203 7900 1 20 . 1 1 36 36 MET HA H 36 4.572 4.572 4.316 0.256 19203 7901 1 20 . 1 1 36 36 MET CA C 36 52.172 52.172 57.564 -5.392 19203 7902 1 20 . 1 1 36 36 MET CB C 36 31.060 31.060 32.804 -1.744 19203 7903 1 20 . 1 1 36 36 MET H H 36 7.812 7.812 8.824 -1.012 19203 7904 1 20 . 1 1 37 37 ARG N N 37 119.419 119.419 117.683 1.736 19203 7905 1 20 . 1 1 37 37 ARG HA H 37 4.633 4.633 3.976 0.657 19203 7906 1 20 . 1 1 37 37 ARG CA C 37 55.407 55.407 58.689 -3.282 19203 7907 1 20 . 1 1 37 37 ARG CB C 37 27.001 27.001 28.744 -1.743 19203 7908 1 20 . 1 1 37 37 ARG H H 37 7.929 7.929 8.352 -0.423 19203 7909 1 20 . 1 1 38 38 GLU N N 38 118.450 118.450 119.243 -0.793 19203 7910 1 20 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.168 -0.181 19203 7911 1 20 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.771 -2.184 19203 7912 1 20 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.187 -1.730 19203 7913 1 20 . 1 1 38 38 GLU H H 38 7.524 7.524 7.594 -0.070 19203 7914 1 20 . 1 1 39 39 ALA N N 39 118.496 118.496 118.815 -0.319 19203 7915 1 20 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.692 -0.713 19203 7916 1 20 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.678 -2.452 19203 7917 1 20 . 1 1 39 39 ALA CB C 39 17.657 17.657 20.598 -2.941 19203 7918 1 20 . 1 1 39 39 ALA H H 39 7.958 7.958 7.528 0.430 19203 7919 1 20 . 1 1 40 40 GLY N N 40 101.970 101.970 106.477 -4.507 19203 7920 1 20 . 1 1 40 40 GLY CA C 40 41.520 41.520 45.007 -3.487 19203 7921 1 20 . 1 1 40 40 GLY H H 40 7.172 7.172 8.063 -0.891 19203 7922 1 20 . 1 1 41 41 ASP N N 41 116.412 116.412 120.644 -4.232 19203 7923 1 20 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.795 -0.344 19203 7924 1 20 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.609 -0.361 19203 7925 1 20 . 1 1 41 41 ASP CB C 41 38.386 38.386 44.926 -6.540 19203 7926 1 20 . 1 1 41 41 ASP H H 41 7.917 7.917 7.715 0.202 19203 7927 1 20 . 1 1 42 42 VAL N N 42 128.043 128.043 120.633 7.410 19203 7928 1 20 . 1 1 42 42 VAL HA H 42 4.026 4.026 4.149 -0.123 19203 7929 1 20 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.948 -2.125 19203 7930 1 20 . 1 1 42 42 VAL CB C 42 31.944 31.944 35.140 -3.196 19203 7931 1 20 . 1 1 42 42 VAL H H 42 8.366 8.366 8.248 0.118 19203 7932 1 20 . 1 1 43 43 CYS N N 43 122.686 122.686 126.883 -4.197 19203 7933 1 20 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.722 0.057 19203 7934 1 20 . 1 1 43 43 CYS CA C 43 54.138 54.138 58.176 -4.038 19203 7935 1 20 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.041 -1.386 19203 7936 1 20 . 1 1 43 43 CYS H H 43 8.800 8.800 8.991 -0.191 19203 7937 1 20 . 1 1 44 44 TYR N N 44 122.582 122.582 119.321 3.261 19203 7938 1 20 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.491 -0.055 19203 7939 1 20 . 1 1 44 44 TYR CA C 44 55.788 55.788 58.373 -2.585 19203 7940 1 20 . 1 1 44 44 TYR CB C 44 39.803 39.803 40.973 -1.170 19203 7941 1 20 . 1 1 44 44 TYR H H 44 7.420 7.420 7.703 -0.283 19203 7942 1 20 . 1 1 45 45 ALA N N 45 127.108 127.108 128.729 -1.621 19203 7943 1 20 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.954 -0.013 19203 7944 1 20 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.371 -3.336 19203 7945 1 20 . 1 1 45 45 ALA CB C 45 20.239 20.239 22.091 -1.852 19203 7946 1 20 . 1 1 45 45 ALA H H 45 7.107 7.107 7.789 -0.682 19203 7947 1 20 . 1 1 46 46 ASP N N 46 117.612 117.612 121.821 -4.209 19203 7948 1 20 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.672 -0.049 19203 7949 1 20 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.998 -3.479 19203 7950 1 20 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.566 -2.773 19203 7951 1 20 . 1 1 46 46 ASP H H 46 8.463 8.463 8.912 -0.449 19203 7952 1 20 . 1 1 47 47 VAL N N 47 116.535 116.535 121.644 -5.109 19203 7953 1 20 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.046 0.200 19203 7954 1 20 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.859 -2.802 19203 7955 1 20 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.809 -1.909 19203 7956 1 20 . 1 1 47 47 VAL H H 47 8.096 8.096 8.478 -0.382 19203 7957 1 20 . 1 1 48 48 TYR N N 48 124.428 124.428 122.423 2.005 19203 7958 1 20 . 1 1 48 48 TYR HA H 48 4.943 4.943 5.024 -0.082 19203 7959 1 20 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.342 -3.074 19203 7960 1 20 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.505 -3.320 19203 7961 1 20 . 1 1 48 48 TYR H H 48 8.673 8.673 7.848 0.825 19203 7962 1 20 . 1 1 49 49 ARG N N 49 117.750 117.750 121.139 -3.389 19203 7963 1 20 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.525 -0.336 19203 7964 1 20 . 1 1 49 49 ARG CA C 49 55.114 55.114 55.929 -0.815 19203 7965 1 20 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.961 -3.251 19203 7966 1 20 . 1 1 49 49 ARG H H 49 8.520 8.520 8.767 -0.247 19203 7967 1 20 . 1 1 50 50 ASP N N 50 117.696 117.696 119.458 -1.762 19203 7968 1 20 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.768 -0.188 19203 7969 1 20 . 1 1 50 50 ASP CA C 50 50.176 50.176 52.444 -2.268 19203 7970 1 20 . 1 1 50 50 ASP CB C 50 37.905 37.905 44.308 -6.403 19203 7971 1 20 . 1 1 50 50 ASP H H 50 7.960 7.960 8.014 -0.054 19203 7972 1 20 . 1 1 51 51 GLY N N 51 108.367 108.367 105.424 2.943 19203 7973 1 20 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.586 -2.023 19203 7974 1 20 . 1 1 51 51 GLY H H 51 8.053 8.053 8.502 -0.449 19203 7975 1 20 . 1 1 52 52 THR N N 52 109.991 109.991 110.902 -0.911 19203 7976 1 20 . 1 1 52 52 THR HA H 52 5.497 5.497 5.260 0.237 19203 7977 1 20 . 1 1 52 52 THR CA C 52 57.040 57.040 60.189 -3.149 19203 7978 1 20 . 1 1 52 52 THR CB C 52 69.847 69.847 72.459 -2.612 19203 7979 1 20 . 1 1 52 52 THR H H 52 7.637 7.637 7.297 0.340 19203 7980 1 20 . 1 1 53 53 GLY N N 53 105.727 105.727 106.365 -0.638 19203 7981 1 20 . 1 1 53 53 GLY CA C 53 43.298 43.298 45.130 -1.832 19203 7982 1 20 . 1 1 53 53 GLY H H 53 8.801 8.801 8.246 0.555 19203 7983 1 20 . 1 1 54 54 VAL N N 54 117.327 117.327 118.733 -1.406 19203 7984 1 20 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.739 0.618 19203 7985 1 20 . 1 1 54 54 VAL CA C 54 56.820 56.820 61.139 -4.319 19203 7986 1 20 . 1 1 54 54 VAL CB C 54 33.723 33.723 36.153 -2.430 19203 7987 1 20 . 1 1 54 54 VAL H H 54 8.585 8.585 8.993 -0.408 19203 7988 1 20 . 1 1 55 55 VAL N N 55 120.925 120.925 122.974 -2.049 19203 7989 1 20 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.884 -0.253 19203 7990 1 20 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.666 -2.686 19203 7991 1 20 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.637 -3.849 19203 7992 1 20 . 1 1 55 55 VAL H H 55 8.475 8.475 9.187 -0.712 19203 7993 1 20 . 1 1 56 56 GLU N N 56 123.932 123.932 123.428 0.504 19203 7994 1 20 . 1 1 56 56 GLU HA H 56 4.998 4.998 5.147 -0.149 19203 7995 1 20 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.177 -3.818 19203 7996 1 20 . 1 1 56 56 GLU CB C 56 29.074 29.074 32.444 -3.370 19203 7997 1 20 . 1 1 56 56 GLU H H 56 8.896 8.896 8.601 0.295 19203 7998 1 20 . 1 1 57 57 PHE N N 57 120.441 120.441 123.742 -3.301 19203 7999 1 20 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.683 0.306 19203 8000 1 20 . 1 1 57 57 PHE CA C 57 55.075 55.075 58.405 -3.330 19203 8001 1 20 . 1 1 57 57 PHE CB C 57 39.280 39.280 39.744 -0.464 19203 8002 1 20 . 1 1 57 57 PHE H H 57 8.549 8.549 9.095 -0.546 19203 8003 1 20 . 1 1 58 58 VAL N N 58 125.263 125.263 119.386 5.877 19203 8004 1 20 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.900 -0.328 19203 8005 1 20 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.878 -0.485 19203 8006 1 20 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.317 -2.756 19203 8007 1 20 . 1 1 58 58 VAL H H 58 8.123 8.123 8.169 -0.046 19203 8008 1 20 . 1 1 59 59 ARG N N 59 117.434 117.434 116.315 1.119 19203 8009 1 20 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.576 0.137 19203 8010 1 20 . 1 1 59 59 ARG CA C 59 52.041 52.041 55.090 -3.049 19203 8011 1 20 . 1 1 59 59 ARG CB C 59 29.608 29.608 32.915 -3.307 19203 8012 1 20 . 1 1 59 59 ARG H H 59 9.504 9.504 7.658 1.846 19203 8013 1 20 . 1 1 60 60 LYS N N 60 127.390 127.390 123.361 4.029 19203 8014 1 20 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.111 -0.485 19203 8015 1 20 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.568 -2.143 19203 8016 1 20 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.458 -2.818 19203 8017 1 20 . 1 1 60 60 LYS H H 60 8.955 8.955 8.876 0.079 19203 8018 1 20 . 1 1 61 61 GLU N N 61 117.610 117.610 118.525 -0.915 19203 8019 1 20 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.014 -0.041 19203 8020 1 20 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.811 -2.939 19203 8021 1 20 . 1 1 61 61 GLU CB C 61 26.091 26.091 29.215 -3.124 19203 8022 1 20 . 1 1 61 61 GLU H H 61 9.814 9.814 8.768 1.046 19203 8023 1 20 . 1 1 62 62 ASP N N 62 121.439 121.439 119.549 1.890 19203 8024 1 20 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.614 -0.265 19203 8025 1 20 . 1 1 62 62 ASP CA C 62 53.423 53.423 56.636 -3.213 19203 8026 1 20 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.668 -3.398 19203 8027 1 20 . 1 1 62 62 ASP H H 62 6.760 6.760 7.856 -1.096 19203 8028 1 20 . 1 1 63 63 MET N N 63 120.225 120.225 120.685 -0.460 19203 8029 1 20 . 1 1 63 63 MET HA H 63 3.070 3.070 3.805 -0.735 19203 8030 1 20 . 1 1 63 63 MET CA C 63 56.211 56.211 58.911 -2.700 19203 8031 1 20 . 1 1 63 63 MET CB C 63 30.414 30.414 32.283 -1.869 19203 8032 1 20 . 1 1 63 63 MET H H 63 6.863 6.863 8.006 -1.143 19203 8033 1 20 . 1 1 64 64 THR N N 64 113.874 113.874 114.469 -0.595 19203 8034 1 20 . 1 1 64 64 THR HA H 64 3.663 3.663 3.945 -0.282 19203 8035 1 20 . 1 1 64 64 THR CA C 64 63.733 63.733 66.438 -2.705 19203 8036 1 20 . 1 1 64 64 THR CB C 64 65.692 65.692 68.579 -2.886 19203 8037 1 20 . 1 1 64 64 THR H H 64 7.900 7.900 8.349 -0.449 19203 8038 1 20 . 1 1 65 65 TYR N N 65 122.573 122.573 122.798 -0.225 19203 8039 1 20 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.133 -0.128 19203 8040 1 20 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.477 -3.026 19203 8041 1 20 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.469 -2.771 19203 8042 1 20 . 1 1 65 65 TYR H H 65 7.530 7.530 8.041 -0.511 19203 8043 1 20 . 1 1 66 66 ALA N N 66 120.898 120.898 121.090 -0.192 19203 8044 1 20 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.094 -0.456 19203 8045 1 20 . 1 1 66 66 ALA CA C 66 53.022 53.022 54.865 -1.843 19203 8046 1 20 . 1 1 66 66 ALA CB C 66 16.582 16.582 18.331 -1.749 19203 8047 1 20 . 1 1 66 66 ALA H H 66 8.144 8.144 8.558 -0.414 19203 8048 1 20 . 1 1 67 67 VAL N N 67 115.474 115.474 116.683 -1.209 19203 8049 1 20 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.856 -0.540 19203 8050 1 20 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.837 -1.188 19203 8051 1 20 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.433 -1.971 19203 8052 1 20 . 1 1 67 67 VAL H H 67 7.602 7.602 7.392 0.210 19203 8053 1 20 . 1 1 68 68 ARG N N 68 116.635 116.635 115.679 0.956 19203 8054 1 20 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.522 -0.480 19203 8055 1 20 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.435 -0.446 19203 8056 1 20 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.790 -3.338 19203 8057 1 20 . 1 1 68 68 ARG H H 68 7.531 7.531 8.033 -0.502 19203 8058 1 20 . 1 1 69 69 LYS N N 69 115.566 115.566 117.525 -1.959 19203 8059 1 20 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.412 -0.191 19203 8060 1 20 . 1 1 69 69 LYS CA C 69 53.569 53.569 55.839 -2.270 19203 8061 1 20 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.434 -3.441 19203 8062 1 20 . 1 1 69 69 LYS H H 69 8.664 8.664 7.800 0.864 19203 8063 1 20 . 1 1 70 70 LEU N N 70 114.943 114.943 119.786 -4.843 19203 8064 1 20 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.551 0.275 19203 8065 1 20 . 1 1 70 70 LEU CA C 70 51.486 51.486 55.550 -4.064 19203 8066 1 20 . 1 1 70 70 LEU CB C 70 39.265 39.265 43.929 -4.664 19203 8067 1 20 . 1 1 70 70 LEU H H 70 8.164 8.164 7.634 0.530 19203 8068 1 20 . 1 1 71 71 ASP N N 71 119.864 119.864 118.853 1.011 19203 8069 1 20 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.686 -0.294 19203 8070 1 20 . 1 1 71 71 ASP CA C 71 54.184 54.184 52.813 1.371 19203 8071 1 20 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.392 -2.929 19203 8072 1 20 . 1 1 71 71 ASP H H 71 6.910 6.910 7.857 -0.947 19203 8073 1 20 . 1 1 72 72 ASN N N 72 123.602 123.602 113.874 9.728 19203 8074 1 20 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.601 0.080 19203 8075 1 20 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.088 -2.386 19203 8076 1 20 . 1 1 72 72 ASN CB C 72 35.060 35.060 36.650 -1.590 19203 8077 1 20 . 1 1 72 72 ASN H H 72 9.037 9.037 8.749 0.288 19203 8078 1 20 . 1 1 73 73 THR N N 73 105.063 105.063 109.231 -4.168 19203 8079 1 20 . 1 1 73 73 THR HA H 73 4.674 4.674 4.788 -0.114 19203 8080 1 20 . 1 1 73 73 THR CA C 73 57.397 57.397 60.314 -2.917 19203 8081 1 20 . 1 1 73 73 THR CB C 73 70.412 70.412 72.214 -1.802 19203 8082 1 20 . 1 1 73 73 THR H H 73 7.187 7.187 8.384 -1.197 19203 8083 1 20 . 1 1 74 74 LYS N N 74 120.141 120.141 120.631 -0.490 19203 8084 1 20 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.649 -0.993 19203 8085 1 20 . 1 1 74 74 LYS CA C 74 53.833 53.833 54.895 -1.062 19203 8086 1 20 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.683 -4.778 19203 8087 1 20 . 1 1 74 74 LYS H H 74 8.384 8.384 8.704 -0.320 19203 8088 1 20 . 1 1 75 75 PHE N N 75 132.829 132.829 120.775 12.054 19203 8089 1 20 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.491 -0.175 19203 8090 1 20 . 1 1 75 75 PHE CA C 75 53.203 53.203 57.858 -4.655 19203 8091 1 20 . 1 1 75 75 PHE CB C 75 40.456 40.456 41.465 -1.009 19203 8092 1 20 . 1 1 75 75 PHE H H 75 9.243 9.243 8.238 1.005 19203 8093 1 20 . 1 1 76 76 ARG N N 76 128.489 128.489 128.429 0.060 19203 8094 1 20 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.747 0.051 19203 8095 1 20 . 1 1 76 76 ARG CA C 76 50.981 50.981 54.823 -3.842 19203 8096 1 20 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.215 -0.841 19203 8097 1 20 . 1 1 76 76 ARG H H 76 8.293 8.293 7.846 0.447 19203 8098 1 20 . 1 1 77 77 SER N N 77 120.971 120.971 117.517 3.454 19203 8099 1 20 . 1 1 77 77 SER HA H 77 4.278 4.278 4.550 -0.272 19203 8100 1 20 . 1 1 77 77 SER CA C 77 53.406 53.406 57.721 -4.315 19203 8101 1 20 . 1 1 77 77 SER CB C 77 63.802 63.802 65.404 -1.602 19203 8102 1 20 . 1 1 77 77 SER H H 77 9.107 9.107 8.713 0.394 19203 8103 1 20 . 1 1 78 78 HIS N N 78 118.463 118.463 120.167 -1.704 19203 8104 1 20 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.423 -0.048 19203 8105 1 20 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.600 -1.709 19203 8106 1 20 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.454 -5.215 19203 8107 1 20 . 1 1 78 78 HIS H H 78 9.696 9.696 9.073 0.623 19203 8108 1 20 . 1 1 79 79 GLU N N 79 116.714 116.714 119.088 -2.374 19203 8109 1 20 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.265 0.078 19203 8110 1 20 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.666 -2.726 19203 8111 1 20 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.047 -1.534 19203 8112 1 20 . 1 1 79 79 GLU H H 79 7.053 7.053 7.941 -0.888 19203 8113 1 20 . 1 1 80 80 GLY N N 80 108.106 108.106 108.244 -0.138 19203 8114 1 20 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.487 -2.850 19203 8115 1 20 . 1 1 80 80 GLY H H 80 7.835 7.835 7.865 -0.030 19203 8116 1 20 . 1 1 81 81 GLU N N 81 119.017 119.017 117.530 1.487 19203 8117 1 20 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.735 -0.401 19203 8118 1 20 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.244 -0.517 19203 8119 1 20 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.662 -2.184 19203 8120 1 20 . 1 1 81 81 GLU H H 81 7.067 7.067 7.988 -0.921 19203 8121 1 20 . 1 1 82 82 THR N N 82 114.312 114.312 110.778 3.534 19203 8122 1 20 . 1 1 82 82 THR HA H 82 5.771 5.771 5.269 0.502 19203 8123 1 20 . 1 1 82 82 THR CA C 82 56.694 56.694 60.411 -3.717 19203 8124 1 20 . 1 1 82 82 THR CB C 82 69.359 69.359 71.316 -1.956 19203 8125 1 20 . 1 1 82 82 THR H H 82 8.499 8.499 8.256 0.243 19203 8126 1 20 . 1 1 83 83 ALA N N 83 123.125 123.125 128.409 -5.284 19203 8127 1 20 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.798 -0.357 19203 8128 1 20 . 1 1 83 83 ALA CA C 83 49.097 49.097 51.893 -2.796 19203 8129 1 20 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.699 -0.200 19203 8130 1 20 . 1 1 83 83 ALA H H 83 8.674 8.674 8.214 0.460 19203 8131 1 20 . 1 1 84 84 TYR N N 84 120.587 120.587 122.227 -1.640 19203 8132 1 20 . 1 1 84 84 TYR HA H 84 4.973 4.973 4.682 0.291 19203 8133 1 20 . 1 1 84 84 TYR CA C 84 55.900 55.900 57.120 -1.220 19203 8134 1 20 . 1 1 84 84 TYR CB C 84 36.152 36.152 39.078 -2.926 19203 8135 1 20 . 1 1 84 84 TYR H H 84 8.708 8.708 8.198 0.510 19203 8136 1 20 . 1 1 85 85 ILE N N 85 116.081 116.081 114.191 1.890 19203 8137 1 20 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.029 -0.177 19203 8138 1 20 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.973 -2.044 19203 8139 1 20 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.346 -3.971 19203 8140 1 20 . 1 1 85 85 ILE H H 85 8.182 8.182 8.980 -0.798 19203 8141 1 20 . 1 1 86 86 ARG N N 86 117.289 117.289 120.269 -2.980 19203 8142 1 20 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.983 0.254 19203 8143 1 20 . 1 1 86 86 ARG CA C 86 49.147 49.147 53.250 -4.103 19203 8144 1 20 . 1 1 86 86 ARG CB C 86 27.473 27.473 32.615 -5.142 19203 8145 1 20 . 1 1 86 86 ARG H H 86 8.250 8.250 8.673 -0.423 19203 8146 1 20 . 1 1 87 87 VAL N N 87 121.679 121.679 122.344 -0.665 19203 8147 1 20 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.226 0.407 19203 8148 1 20 . 1 1 87 87 VAL CA C 87 58.639 58.639 63.620 -4.981 19203 8149 1 20 . 1 1 87 87 VAL CB C 87 32.629 32.629 32.201 0.428 19203 8150 1 20 . 1 1 87 87 VAL H H 87 8.983 8.983 8.606 0.377 19203 8151 1 20 . 1 1 88 88 LYS N N 88 123.579 123.579 123.207 0.372 19203 8152 1 20 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.682 0.071 19203 8153 1 20 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.021 -2.123 19203 8154 1 20 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.331 -1.188 19203 8155 1 20 . 1 1 88 88 LYS H H 88 8.679 8.679 8.414 0.265 19203 8156 1 20 . 1 1 89 89 VAL N N 89 119.787 119.787 121.092 -1.305 19203 8157 1 20 . 1 1 89 89 VAL HA H 89 4.125 4.125 3.815 0.310 19203 8158 1 20 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.717 -1.677 19203 8159 1 20 . 1 1 89 89 VAL CB C 89 30.341 30.341 32.028 -1.687 19203 8160 1 20 . 1 1 89 89 VAL H H 89 8.454 8.454 8.524 -0.070 19203 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 82 3.405 0.225 3.418 19203 2 1 1 "Average Difference" HA 78 0.383 0.108 0.370 19203 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19203 4 1 1 "Average Difference" CA 86 2.793 2.522 1.206 19203 5 1 1 "Average Difference" CB 80 2.991 2.670 1.355 19203 6 1 1 "Average Difference" HN 82 0.558 0.025 0.560 19203 7 1 2 "Average Difference" N 82 4.089 0.955 4.001 19203 8 1 2 "Average Difference" HA 78 0.358 0.062 0.355 19203 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19203 10 1 2 "Average Difference" CA 86 2.891 2.578 1.314 19203 11 1 2 "Average Difference" CB 80 2.780 2.450 1.320 19203 12 1 2 "Average Difference" HN 82 0.571 0.066 0.571 19203 13 1 3 "Average Difference" N 82 3.698 0.210 3.715 19203 14 1 3 "Average Difference" HA 78 0.412 0.100 0.402 19203 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19203 16 1 3 "Average Difference" CA 86 2.954 2.639 1.334 19203 17 1 3 "Average Difference" CB 80 2.969 2.573 1.491 19203 18 1 3 "Average Difference" HN 82 0.565 -0.036 0.568 19203 19 1 4 "Average Difference" N 82 3.569 -0.089 3.590 19203 20 1 4 "Average Difference" HA 78 0.354 0.112 0.338 19203 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19203 22 1 4 "Average Difference" CA 86 2.832 2.565 1.209 19203 23 1 4 "Average Difference" CB 80 3.006 2.672 1.386 19203 24 1 4 "Average Difference" HN 82 0.631 -0.012 0.635 19203 25 1 5 "Average Difference" N 82 3.729 -0.034 3.752 19203 26 1 5 "Average Difference" HA 78 0.382 0.121 0.365 19203 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19203 28 1 5 "Average Difference" CA 86 2.761 2.469 1.242 19203 29 1 5 "Average Difference" CB 80 2.984 2.715 1.247 19203 30 1 5 "Average Difference" HN 82 0.574 0.018 0.577 19203 31 1 6 "Average Difference" N 82 3.318 0.260 3.328 19203 32 1 6 "Average Difference" HA 78 0.345 0.094 0.334 19203 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19203 34 1 6 "Average Difference" CA 86 2.827 2.558 1.209 19203 35 1 6 "Average Difference" CB 80 2.961 2.606 1.414 19203 36 1 6 "Average Difference" HN 82 0.566 -0.006 0.570 19203 37 1 7 "Average Difference" N 82 3.699 -0.005 3.722 19203 38 1 7 "Average Difference" HA 78 0.352 0.110 0.336 19203 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19203 40 1 7 "Average Difference" CA 86 2.776 2.547 1.110 19203 41 1 7 "Average Difference" CB 80 2.964 2.641 1.354 19203 42 1 7 "Average Difference" HN 82 0.615 -0.030 0.618 19203 43 1 8 "Average Difference" N 82 3.721 -0.003 3.744 19203 44 1 8 "Average Difference" HA 78 0.382 0.100 0.371 19203 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19203 46 1 8 "Average Difference" CA 86 2.890 2.634 1.197 19203 47 1 8 "Average Difference" CB 80 2.967 2.603 1.432 19203 48 1 8 "Average Difference" HN 82 0.645 -0.040 0.647 19203 49 1 9 "Average Difference" N 82 3.250 0.016 3.270 19203 50 1 9 "Average Difference" HA 78 0.369 0.107 0.355 19203 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19203 52 1 9 "Average Difference" CA 86 2.745 2.468 1.209 19203 53 1 9 "Average Difference" CB 80 3.024 2.724 1.321 19203 54 1 9 "Average Difference" HN 82 0.552 0.019 0.555 19203 55 1 10 "Average Difference" N 82 3.404 -0.101 3.424 19203 56 1 10 "Average Difference" HA 78 0.356 0.143 0.328 19203 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19203 58 1 10 "Average Difference" CA 86 2.758 2.509 1.152 19203 59 1 10 "Average Difference" CB 80 3.047 2.735 1.353 19203 60 1 10 "Average Difference" HN 82 0.544 0.014 0.547 19203 61 1 11 "Average Difference" N 82 3.491 0.005 3.513 19203 62 1 11 "Average Difference" HA 78 0.385 0.088 0.377 19203 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19203 64 1 11 "Average Difference" CA 86 2.754 2.498 1.167 19203 65 1 11 "Average Difference" CB 80 2.962 2.675 1.282 19203 66 1 11 "Average Difference" HN 82 0.598 -0.003 0.602 19203 67 1 12 "Average Difference" N 82 3.594 -0.102 3.615 19203 68 1 12 "Average Difference" HA 78 0.349 0.107 0.335 19203 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19203 70 1 12 "Average Difference" CA 86 2.763 2.556 1.055 19203 71 1 12 "Average Difference" CB 80 3.010 2.677 1.385 19203 72 1 12 "Average Difference" HN 82 0.624 0.019 0.628 19203 73 1 13 "Average Difference" N 82 3.148 0.076 3.166 19203 74 1 13 "Average Difference" HA 78 0.351 0.132 0.327 19203 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19203 76 1 13 "Average Difference" CA 86 2.779 2.551 1.110 19203 77 1 13 "Average Difference" CB 80 3.084 2.808 1.284 19203 78 1 13 "Average Difference" HN 82 0.578 0.020 0.582 19203 79 1 14 "Average Difference" N 82 3.798 0.144 3.819 19203 80 1 14 "Average Difference" HA 78 0.366 0.081 0.360 19203 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19203 82 1 14 "Average Difference" CA 86 2.864 2.593 1.223 19203 83 1 14 "Average Difference" CB 80 2.977 2.694 1.275 19203 84 1 14 "Average Difference" HN 82 0.535 -0.018 0.538 19203 85 1 15 "Average Difference" N 82 3.953 -0.213 3.971 19203 86 1 15 "Average Difference" HA 78 0.368 0.144 0.341 19203 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19203 88 1 15 "Average Difference" CA 86 2.695 2.431 1.170 19203 89 1 15 "Average Difference" CB 80 3.008 2.715 1.302 19203 90 1 15 "Average Difference" HN 82 0.611 0.010 0.615 19203 91 1 16 "Average Difference" N 82 3.688 0.276 3.700 19203 92 1 16 "Average Difference" HA 78 0.365 0.115 0.349 19203 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19203 94 1 16 "Average Difference" CA 86 2.688 2.474 1.056 19203 95 1 16 "Average Difference" CB 80 2.913 2.683 1.141 19203 96 1 16 "Average Difference" HN 82 0.613 0.006 0.617 19203 97 1 17 "Average Difference" N 82 3.433 0.401 3.430 19203 98 1 17 "Average Difference" HA 78 0.369 0.098 0.358 19203 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19203 100 1 17 "Average Difference" CA 86 2.759 2.549 1.063 19203 101 1 17 "Average Difference" CB 80 2.981 2.651 1.372 19203 102 1 17 "Average Difference" HN 82 0.604 -0.005 0.608 19203 103 1 18 "Average Difference" N 82 3.604 0.317 3.612 19203 104 1 18 "Average Difference" HA 78 0.363 0.130 0.341 19203 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19203 106 1 18 "Average Difference" CA 86 2.835 2.559 1.227 19203 107 1 18 "Average Difference" CB 80 2.894 2.598 1.283 19203 108 1 18 "Average Difference" HN 82 0.605 0.025 0.609 19203 109 1 19 "Average Difference" N 82 3.842 -0.063 3.865 19203 110 1 19 "Average Difference" HA 78 0.390 0.097 0.380 19203 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19203 112 1 19 "Average Difference" CA 86 2.804 2.533 1.209 19203 113 1 19 "Average Difference" CB 80 2.957 2.656 1.308 19203 114 1 19 "Average Difference" HN 82 0.618 -0.019 0.621 19203 115 1 20 "Average Difference" N 82 3.632 0.167 3.650 19203 116 1 20 "Average Difference" HA 78 0.346 0.103 0.332 19203 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19203 118 1 20 "Average Difference" CA 86 2.871 2.617 1.187 19203 119 1 20 "Average Difference" CB 80 2.970 2.607 1.431 19203 120 1 20 "Average Difference" HN 82 0.566 0.049 0.568 19203 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 19203 _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 HA H 2 4.533 4.533 4.894 -0.361 19203 2 1 . 1 1 2 2 ALA CA C 2 47.885 47.885 51.183 -3.298 19203 3 1 . 1 1 2 2 ALA CB C 2 15.622 15.622 19.649 -4.027 19203 4 1 . 1 1 3 3 PRO HA H 3 4.826 4.826 4.649 0.177 19203 5 1 . 1 1 3 3 PRO CA C 3 58.309 58.309 62.816 -4.508 19203 6 1 . 1 1 3 3 PRO CB C 3 27.792 27.792 32.580 -4.788 19203 7 1 . 1 1 4 4 ARG N N 4 121.678 121.678 118.462 3.216 19203 8 1 . 1 1 4 4 ARG HA H 4 4.221 4.221 4.547 -0.326 19203 9 1 . 1 1 4 4 ARG CA C 4 53.575 53.575 55.691 -2.116 19203 10 1 . 1 1 4 4 ARG CB C 4 28.467 28.467 31.949 -3.482 19203 11 1 . 1 1 4 4 ARG H H 4 8.483 8.483 8.414 0.069 19203 12 1 . 1 1 5 5 GLY N N 5 109.928 109.928 109.682 0.246 19203 13 1 . 1 1 5 5 GLY CA C 5 42.668 42.668 45.077 -2.409 19203 14 1 . 1 1 5 5 GLY H H 5 8.344 8.344 8.400 -0.056 19203 15 1 . 1 1 6 6 ARG N N 6 120.896 120.896 119.850 1.046 19203 16 1 . 1 1 6 6 ARG HA H 6 4.142 4.142 4.621 -0.479 19203 17 1 . 1 1 6 6 ARG CA C 6 53.519 53.519 55.421 -1.901 19203 18 1 . 1 1 6 6 ARG CB C 6 28.218 28.218 31.371 -3.153 19203 19 1 . 1 1 6 6 ARG H H 6 8.144 8.144 8.231 -0.087 19203 20 1 . 1 1 7 7 TYR N N 7 121.118 121.118 122.011 -0.893 19203 21 1 . 1 1 7 7 TYR HA H 7 4.560 4.560 4.614 -0.054 19203 22 1 . 1 1 7 7 TYR CA C 7 54.805 54.805 57.888 -3.083 19203 23 1 . 1 1 7 7 TYR CB C 7 36.504 36.504 39.855 -3.351 19203 24 1 . 1 1 7 7 TYR H H 7 8.218 8.218 8.351 -0.133 19203 25 1 . 1 1 8 8 GLY N N 8 110.613 110.613 111.713 -1.100 19203 26 1 . 1 1 8 8 GLY CA C 8 41.905 41.905 44.331 -2.426 19203 27 1 . 1 1 8 8 GLY H H 8 8.021 8.021 7.918 0.103 19203 28 1 . 1 1 9 9 PRO HA H 9 4.567 4.567 4.664 -0.097 19203 29 1 . 1 1 9 9 PRO CA C 9 58.800 58.800 61.586 -2.786 19203 30 1 . 1 1 9 9 PRO CB C 9 28.361 28.361 31.234 -2.873 19203 31 1 . 1 1 10 10 PRO HA H 10 4.364 4.364 4.475 -0.111 19203 32 1 . 1 1 10 10 PRO CA C 10 60.414 60.414 63.010 -2.595 19203 33 1 . 1 1 10 10 PRO CB C 10 29.467 29.467 30.501 -1.034 19203 34 1 . 1 1 11 11 SER N N 11 116.042 116.042 118.566 -2.524 19203 35 1 . 1 1 11 11 SER HA H 11 4.394 4.394 4.640 -0.246 19203 36 1 . 1 1 11 11 SER CA C 11 55.641 55.641 57.917 -2.276 19203 37 1 . 1 1 11 11 SER CB C 11 61.349 61.349 64.754 -3.405 19203 38 1 . 1 1 11 11 SER H H 11 8.263 8.263 8.139 0.124 19203 39 1 . 1 1 12 12 ARG N N 12 123.432 123.432 122.457 0.976 19203 40 1 . 1 1 12 12 ARG HA H 12 4.289 4.289 4.513 -0.224 19203 41 1 . 1 1 12 12 ARG CA C 12 53.311 53.311 55.695 -2.384 19203 42 1 . 1 1 12 12 ARG CB C 12 28.726 28.726 31.359 -2.633 19203 43 1 . 1 1 12 12 ARG H H 12 8.317 8.317 8.454 -0.137 19203 44 1 . 1 1 13 13 ARG N N 13 119.550 119.550 120.558 -1.008 19203 45 1 . 1 1 13 13 ARG CB C 13 28.583 28.583 30.854 -2.271 19203 46 1 . 1 1 13 13 ARG H H 13 7.967 7.967 8.633 -0.666 19203 47 1 . 1 1 14 14 SER N N 14 117.366 117.366 114.651 2.715 19203 48 1 . 1 1 14 14 SER HA H 14 4.588 4.588 4.613 -0.025 19203 49 1 . 1 1 14 14 SER CA C 14 54.505 54.505 57.644 -3.139 19203 50 1 . 1 1 14 14 SER CB C 14 63.906 63.906 65.180 -1.274 19203 51 1 . 1 1 14 14 SER H H 14 8.660 8.660 8.023 0.637 19203 52 1 . 1 1 15 15 GLU N N 15 116.212 116.212 120.986 -4.774 19203 53 1 . 1 1 15 15 GLU HA H 15 4.312 4.312 4.206 0.106 19203 54 1 . 1 1 15 15 GLU CA C 15 52.947 52.947 56.909 -3.962 19203 55 1 . 1 1 15 15 GLU CB C 15 27.107 27.107 28.328 -1.221 19203 56 1 . 1 1 15 15 GLU H H 15 8.472 8.472 8.852 -0.380 19203 57 1 . 1 1 16 16 ASN N N 16 120.295 120.295 115.385 4.910 19203 58 1 . 1 1 16 16 ASN HA H 16 4.997 4.997 4.911 0.086 19203 59 1 . 1 1 16 16 ASN CA C 16 49.931 49.931 52.554 -2.623 19203 60 1 . 1 1 16 16 ASN CB C 16 34.311 34.311 40.171 -5.860 19203 61 1 . 1 1 16 16 ASN H H 16 8.326 8.326 8.089 0.237 19203 62 1 . 1 1 17 17 ARG N N 17 123.774 123.774 121.123 2.651 19203 63 1 . 1 1 17 17 ARG HA H 17 5.269 5.269 4.841 0.428 19203 64 1 . 1 1 17 17 ARG CA C 17 52.840 52.840 55.187 -2.347 19203 65 1 . 1 1 17 17 ARG CB C 17 31.422 31.422 33.344 -1.922 19203 66 1 . 1 1 17 17 ARG H H 17 7.726 7.726 7.669 0.057 19203 67 1 . 1 1 18 18 VAL N N 18 117.634 117.634 120.481 -2.847 19203 68 1 . 1 1 18 18 VAL HA H 18 5.042 5.042 4.996 0.046 19203 69 1 . 1 1 18 18 VAL CA C 18 56.090 56.090 59.482 -3.392 19203 70 1 . 1 1 18 18 VAL CB C 18 31.746 31.746 35.172 -3.426 19203 71 1 . 1 1 18 18 VAL H H 18 9.197 9.197 8.584 0.613 19203 72 1 . 1 1 19 19 VAL N N 19 119.956 119.956 118.294 1.662 19203 73 1 . 1 1 19 19 VAL HA H 19 4.925 4.925 4.717 0.208 19203 74 1 . 1 1 19 19 VAL CA C 19 57.771 57.771 60.571 -2.800 19203 75 1 . 1 1 19 19 VAL CB C 19 31.575 31.575 35.340 -3.765 19203 76 1 . 1 1 19 19 VAL H H 19 9.111 9.111 8.647 0.464 19203 77 1 . 1 1 20 20 VAL N N 20 125.976 125.976 122.575 3.401 19203 78 1 . 1 1 20 20 VAL HA H 20 5.369 5.369 4.968 0.401 19203 79 1 . 1 1 20 20 VAL CA C 20 56.514 56.514 60.359 -3.845 19203 80 1 . 1 1 20 20 VAL CB C 20 32.047 32.047 34.776 -2.729 19203 81 1 . 1 1 20 20 VAL H H 20 8.678 8.678 8.825 -0.147 19203 82 1 . 1 1 21 21 SER N N 21 117.905 117.905 116.700 1.204 19203 83 1 . 1 1 21 21 SER HA H 21 5.075 5.075 5.130 -0.055 19203 84 1 . 1 1 21 21 SER CA C 21 54.228 54.228 56.720 -2.492 19203 85 1 . 1 1 21 21 SER CB C 21 63.312 63.312 66.266 -2.954 19203 86 1 . 1 1 21 21 SER H H 21 8.917 8.917 8.601 0.316 19203 87 1 . 1 1 22 22 GLY N N 22 108.144 108.144 109.111 -0.967 19203 88 1 . 1 1 22 22 GLY CA C 22 42.465 42.465 45.160 -2.695 19203 89 1 . 1 1 22 22 GLY H H 22 8.079 8.079 8.506 -0.427 19203 90 1 . 1 1 23 23 LEU N N 23 119.379 119.379 121.747 -2.368 19203 91 1 . 1 1 23 23 LEU HA H 23 3.423 3.423 4.104 -0.681 19203 92 1 . 1 1 23 23 LEU CA C 23 50.873 50.873 53.412 -2.539 19203 93 1 . 1 1 23 23 LEU CB C 23 38.078 38.078 40.940 -2.862 19203 94 1 . 1 1 23 23 LEU H H 23 8.485 8.485 7.369 1.116 19203 95 1 . 1 1 24 24 PRO CB C 24 27.899 27.899 30.946 -3.047 19203 96 1 . 1 1 25 25 PRO HA H 25 4.258 4.258 4.394 -0.136 19203 97 1 . 1 1 25 25 PRO CA C 25 62.759 62.759 64.453 -1.694 19203 98 1 . 1 1 25 25 PRO CB C 25 29.229 29.229 31.905 -2.676 19203 99 1 . 1 1 26 26 SER N N 26 106.249 106.249 113.731 -7.482 19203 100 1 . 1 1 26 26 SER HA H 26 4.319 4.319 4.642 -0.323 19203 101 1 . 1 1 26 26 SER CA C 26 55.722 55.722 57.822 -2.100 19203 102 1 . 1 1 26 26 SER CB C 26 61.171 61.171 63.658 -2.487 19203 103 1 . 1 1 26 26 SER H H 26 7.309 7.309 7.968 -0.659 19203 104 1 . 1 1 27 27 GLY N N 27 107.883 107.883 109.317 -1.433 19203 105 1 . 1 1 27 27 GLY CA C 27 44.204 44.204 44.622 -0.418 19203 106 1 . 1 1 27 27 GLY H H 27 8.075 8.075 7.685 0.390 19203 107 1 . 1 1 28 28 SER N N 28 123.917 123.917 117.443 6.474 19203 108 1 . 1 1 28 28 SER HA H 28 4.903 4.903 4.700 0.203 19203 109 1 . 1 1 28 28 SER CA C 28 53.260 53.260 56.733 -3.473 19203 110 1 . 1 1 28 28 SER CB C 28 64.609 64.609 65.695 -1.086 19203 111 1 . 1 1 28 28 SER H H 28 9.021 9.021 8.299 0.722 19203 112 1 . 1 1 29 29 TRP N N 29 120.079 120.079 121.656 -1.577 19203 113 1 . 1 1 29 29 TRP HA H 29 4.024 4.024 4.405 -0.381 19203 114 1 . 1 1 29 29 TRP CA C 29 58.064 58.064 59.810 -1.746 19203 115 1 . 1 1 29 29 TRP CB C 29 25.222 25.222 28.707 -3.485 19203 116 1 . 1 1 29 29 TRP H H 29 9.042 9.042 8.616 0.426 19203 117 1 . 1 1 30 30 GLN N N 30 123.085 123.085 120.706 2.379 19203 118 1 . 1 1 30 30 GLN HA H 30 3.194 3.194 3.984 -0.790 19203 119 1 . 1 1 30 30 GLN CA C 30 56.966 56.966 59.300 -2.334 19203 120 1 . 1 1 30 30 GLN CB C 30 24.684 24.684 27.565 -2.881 19203 121 1 . 1 1 30 30 GLN H H 30 7.587 7.587 7.628 -0.041 19203 122 1 . 1 1 31 31 ASP N N 31 120.127 120.127 119.964 0.163 19203 123 1 . 1 1 31 31 ASP HA H 31 4.150 4.150 4.361 -0.211 19203 124 1 . 1 1 31 31 ASP CA C 31 54.335 54.335 57.090 -2.755 19203 125 1 . 1 1 31 31 ASP CB C 31 39.272 39.272 40.398 -1.126 19203 126 1 . 1 1 31 31 ASP H H 31 7.697 7.697 7.943 -0.246 19203 127 1 . 1 1 32 32 LEU N N 32 122.010 122.010 121.528 0.482 19203 128 1 . 1 1 32 32 LEU HA H 32 4.205 4.205 4.341 -0.136 19203 129 1 . 1 1 32 32 LEU CA C 32 55.539 55.539 58.331 -2.792 19203 130 1 . 1 1 32 32 LEU CB C 32 39.001 39.001 41.644 -2.643 19203 131 1 . 1 1 32 32 LEU H H 32 8.260 8.260 8.251 0.009 19203 132 1 . 1 1 33 33 LYS N N 33 120.333 120.333 118.736 1.597 19203 133 1 . 1 1 33 33 LYS HA H 33 3.512 3.512 4.078 -0.566 19203 134 1 . 1 1 33 33 LYS CA C 33 58.485 58.485 59.624 -1.139 19203 135 1 . 1 1 33 33 LYS CB C 33 29.639 29.639 32.405 -2.766 19203 136 1 . 1 1 33 33 LYS H H 33 8.506 8.506 8.367 0.139 19203 137 1 . 1 1 34 34 ASP N N 34 117.666 117.666 117.092 0.574 19203 138 1 . 1 1 34 34 ASP HA H 34 4.283 4.283 4.526 -0.243 19203 139 1 . 1 1 34 34 ASP CA C 34 54.882 54.882 56.500 -1.618 19203 140 1 . 1 1 34 34 ASP CB C 34 37.540 37.540 41.135 -3.595 19203 141 1 . 1 1 34 34 ASP H H 34 8.353 8.353 7.997 0.356 19203 142 1 . 1 1 35 35 HIS N N 35 119.654 119.654 118.068 1.586 19203 143 1 . 1 1 35 35 HIS HA H 35 4.107 4.107 4.629 -0.522 19203 144 1 . 1 1 35 35 HIS CA C 35 57.324 57.324 57.973 -0.649 19203 145 1 . 1 1 35 35 HIS CB C 35 30.265 30.265 31.613 -1.348 19203 146 1 . 1 1 35 35 HIS H H 35 7.943 7.943 7.954 -0.011 19203 147 1 . 1 1 36 36 MET N N 36 111.628 111.628 120.434 -8.806 19203 148 1 . 1 1 36 36 MET HA H 36 4.572 4.572 4.482 0.090 19203 149 1 . 1 1 36 36 MET CA C 36 52.172 52.172 56.309 -4.137 19203 150 1 . 1 1 36 36 MET CB C 36 31.060 31.060 32.242 -1.182 19203 151 1 . 1 1 36 36 MET H H 36 7.812 7.812 8.549 -0.737 19203 152 1 . 1 1 37 37 ARG N N 37 119.419 119.419 118.525 0.894 19203 153 1 . 1 1 37 37 ARG HA H 37 4.633 4.633 4.404 0.229 19203 154 1 . 1 1 37 37 ARG CA C 37 55.407 55.407 56.779 -1.372 19203 155 1 . 1 1 37 37 ARG CB C 37 27.001 27.001 29.836 -2.835 19203 156 1 . 1 1 37 37 ARG H H 37 7.929 7.929 8.154 -0.225 19203 157 1 . 1 1 38 38 GLU N N 38 118.450 118.450 121.095 -2.645 19203 158 1 . 1 1 38 38 GLU HA H 38 3.987 3.987 4.212 -0.225 19203 159 1 . 1 1 38 38 GLU CA C 38 55.587 55.587 57.921 -2.334 19203 160 1 . 1 1 38 38 GLU CB C 38 27.457 27.457 29.735 -2.278 19203 161 1 . 1 1 38 38 GLU H H 38 7.524 7.524 8.031 -0.507 19203 162 1 . 1 1 39 39 ALA N N 39 118.496 118.496 118.919 -0.423 19203 163 1 . 1 1 39 39 ALA HA H 39 3.979 3.979 4.647 -0.668 19203 164 1 . 1 1 39 39 ALA CA C 39 50.226 50.226 52.211 -1.985 19203 165 1 . 1 1 39 39 ALA CB C 39 17.657 17.657 19.660 -2.003 19203 166 1 . 1 1 39 39 ALA H H 39 7.958 7.958 7.948 0.010 19203 167 1 . 1 1 40 40 GLY N N 40 101.970 101.970 106.302 -4.332 19203 168 1 . 1 1 40 40 GLY CA C 40 41.520 41.520 44.727 -3.207 19203 169 1 . 1 1 40 40 GLY H H 40 7.172 7.172 7.714 -0.542 19203 170 1 . 1 1 41 41 ASP N N 41 116.412 116.412 121.817 -5.405 19203 171 1 . 1 1 41 41 ASP HA H 41 4.451 4.451 4.762 -0.311 19203 172 1 . 1 1 41 41 ASP CA C 41 53.248 53.248 53.583 -0.335 19203 173 1 . 1 1 41 41 ASP CB C 41 38.386 38.386 42.726 -4.340 19203 174 1 . 1 1 41 41 ASP H H 41 7.917 7.917 8.228 -0.311 19203 175 1 . 1 1 42 42 VAL N N 42 128.043 128.043 122.006 6.037 19203 176 1 . 1 1 42 42 VAL HA H 42 4.026 4.026 3.941 0.085 19203 177 1 . 1 1 42 42 VAL CA C 42 58.823 58.823 60.942 -2.119 19203 178 1 . 1 1 42 42 VAL CB C 42 31.944 31.944 33.360 -1.416 19203 179 1 . 1 1 42 42 VAL H H 42 8.366 8.366 8.121 0.245 19203 180 1 . 1 1 43 43 CYS N N 43 122.686 122.686 125.371 -2.686 19203 181 1 . 1 1 43 43 CYS HA H 43 4.779 4.779 4.542 0.237 19203 182 1 . 1 1 43 43 CYS CA C 43 54.138 54.138 58.645 -4.507 19203 183 1 . 1 1 43 43 CYS CB C 43 26.655 26.655 28.933 -2.278 19203 184 1 . 1 1 43 43 CYS H H 43 8.800 8.800 8.682 0.118 19203 185 1 . 1 1 44 44 TYR N N 44 122.582 122.582 120.498 2.084 19203 186 1 . 1 1 44 44 TYR HA H 44 4.436 4.436 4.560 -0.124 19203 187 1 . 1 1 44 44 TYR CA C 44 55.788 55.788 57.772 -1.984 19203 188 1 . 1 1 44 44 TYR CB C 44 39.803 39.803 41.269 -1.466 19203 189 1 . 1 1 44 44 TYR H H 44 7.420 7.420 7.762 -0.342 19203 190 1 . 1 1 45 45 ALA N N 45 127.108 127.108 127.626 -0.518 19203 191 1 . 1 1 45 45 ALA HA H 45 4.941 4.941 4.611 0.330 19203 192 1 . 1 1 45 45 ALA CA C 45 48.035 48.035 51.266 -3.231 19203 193 1 . 1 1 45 45 ALA CB C 45 20.239 20.239 21.951 -1.712 19203 194 1 . 1 1 45 45 ALA H H 45 7.107 7.107 7.707 -0.600 19203 195 1 . 1 1 46 46 ASP N N 46 117.612 117.612 121.410 -3.798 19203 196 1 . 1 1 46 46 ASP HA H 46 4.623 4.623 4.784 -0.161 19203 197 1 . 1 1 46 46 ASP CA C 46 50.519 50.519 53.871 -3.352 19203 198 1 . 1 1 46 46 ASP CB C 46 41.793 41.793 44.465 -2.672 19203 199 1 . 1 1 46 46 ASP H H 46 8.463 8.463 8.604 -0.141 19203 200 1 . 1 1 47 47 VAL N N 47 116.535 116.535 120.643 -4.108 19203 201 1 . 1 1 47 47 VAL HA H 47 4.246 4.246 4.173 0.073 19203 202 1 . 1 1 47 47 VAL CA C 47 58.057 58.057 60.834 -2.777 19203 203 1 . 1 1 47 47 VAL CB C 47 32.901 32.901 34.795 -1.894 19203 204 1 . 1 1 47 47 VAL H H 47 8.096 8.096 8.327 -0.231 19203 205 1 . 1 1 48 48 TYR N N 48 124.428 124.428 121.370 3.058 19203 206 1 . 1 1 48 48 TYR HA H 48 4.943 4.943 4.903 0.040 19203 207 1 . 1 1 48 48 TYR CA C 48 53.268 53.268 56.651 -3.383 19203 208 1 . 1 1 48 48 TYR CB C 48 36.185 36.185 39.347 -3.162 19203 209 1 . 1 1 48 48 TYR H H 48 8.673 8.673 7.682 0.991 19203 210 1 . 1 1 49 49 ARG N N 49 117.750 117.750 120.733 -2.983 19203 211 1 . 1 1 49 49 ARG HA H 49 4.189 4.189 4.177 0.012 19203 212 1 . 1 1 49 49 ARG CA C 49 55.114 55.114 57.430 -2.316 19203 213 1 . 1 1 49 49 ARG CB C 49 26.710 26.710 29.434 -2.724 19203 214 1 . 1 1 49 49 ARG H H 49 8.520 8.520 8.773 -0.253 19203 215 1 . 1 1 50 50 ASP N N 50 117.696 117.696 118.429 -0.734 19203 216 1 . 1 1 50 50 ASP HA H 50 4.580 4.580 4.734 -0.154 19203 217 1 . 1 1 50 50 ASP CA C 50 50.176 50.176 53.444 -3.268 19203 218 1 . 1 1 50 50 ASP CB C 50 37.905 37.905 42.911 -5.006 19203 219 1 . 1 1 50 50 ASP H H 50 7.960 7.960 7.921 0.039 19203 220 1 . 1 1 51 51 GLY N N 51 108.367 108.367 106.973 1.394 19203 221 1 . 1 1 51 51 GLY CA C 51 43.563 43.563 45.909 -2.346 19203 222 1 . 1 1 51 51 GLY H H 51 8.053 8.053 8.425 -0.372 19203 223 1 . 1 1 52 52 THR N N 52 109.991 109.991 111.838 -1.847 19203 224 1 . 1 1 52 52 THR HA H 52 5.497 5.497 4.999 0.497 19203 225 1 . 1 1 52 52 THR CA C 52 57.040 57.040 60.013 -2.973 19203 226 1 . 1 1 52 52 THR CB C 52 69.847 69.847 72.374 -2.527 19203 227 1 . 1 1 52 52 THR H H 52 7.637 7.637 7.255 0.382 19203 228 1 . 1 1 53 53 GLY N N 53 105.727 105.727 106.792 -1.065 19203 229 1 . 1 1 53 53 GLY CA C 53 43.298 43.298 44.848 -1.550 19203 230 1 . 1 1 53 53 GLY H H 53 8.801 8.801 8.253 0.548 19203 231 1 . 1 1 54 54 VAL N N 54 117.327 117.327 120.570 -3.243 19203 232 1 . 1 1 54 54 VAL HA H 54 5.357 5.357 4.775 0.582 19203 233 1 . 1 1 54 54 VAL CA C 54 56.820 56.820 60.629 -3.809 19203 234 1 . 1 1 54 54 VAL CB C 54 33.723 33.723 35.450 -1.727 19203 235 1 . 1 1 54 54 VAL H H 54 8.585 8.585 8.741 -0.156 19203 236 1 . 1 1 55 55 VAL N N 55 120.925 120.925 125.170 -4.245 19203 237 1 . 1 1 55 55 VAL HA H 55 4.631 4.631 4.878 -0.247 19203 238 1 . 1 1 55 55 VAL CA C 55 57.980 57.980 60.582 -2.602 19203 239 1 . 1 1 55 55 VAL CB C 55 32.788 32.788 36.339 -3.551 19203 240 1 . 1 1 55 55 VAL H H 55 8.475 8.475 9.051 -0.576 19203 241 1 . 1 1 56 56 GLU N N 56 123.932 123.932 122.107 1.825 19203 242 1 . 1 1 56 56 GLU HA H 56 4.998 4.998 4.938 0.060 19203 243 1 . 1 1 56 56 GLU CA C 56 51.359 51.359 55.326 -3.967 19203 244 1 . 1 1 56 56 GLU CB C 56 29.074 29.074 33.126 -4.052 19203 245 1 . 1 1 56 56 GLU H H 56 8.896 8.896 8.589 0.307 19203 246 1 . 1 1 57 57 PHE N N 57 120.441 120.441 123.847 -3.406 19203 247 1 . 1 1 57 57 PHE HA H 57 4.989 4.989 4.814 0.175 19203 248 1 . 1 1 57 57 PHE CA C 57 55.075 55.075 57.473 -2.397 19203 249 1 . 1 1 57 57 PHE CB C 57 39.280 39.280 40.838 -1.558 19203 250 1 . 1 1 57 57 PHE H H 57 8.549 8.549 9.097 -0.548 19203 251 1 . 1 1 58 58 VAL N N 58 125.263 125.263 118.562 6.701 19203 252 1 . 1 1 58 58 VAL HA H 58 3.572 3.572 3.951 -0.379 19203 253 1 . 1 1 58 58 VAL CA C 58 64.393 64.393 64.667 -0.274 19203 254 1 . 1 1 58 58 VAL CB C 58 29.561 29.561 32.308 -2.747 19203 255 1 . 1 1 58 58 VAL H H 58 8.123 8.123 8.375 -0.252 19203 256 1 . 1 1 59 59 ARG N N 59 117.434 117.434 117.005 0.429 19203 257 1 . 1 1 59 59 ARG HA H 59 4.713 4.713 4.596 0.117 19203 258 1 . 1 1 59 59 ARG CA C 59 52.041 52.041 54.896 -2.855 19203 259 1 . 1 1 59 59 ARG CB C 59 29.608 29.608 33.019 -3.411 19203 260 1 . 1 1 59 59 ARG H H 59 9.504 9.504 7.742 1.762 19203 261 1 . 1 1 60 60 LYS N N 60 127.390 127.390 122.642 4.748 19203 262 1 . 1 1 60 60 LYS HA H 60 3.626 3.626 4.078 -0.452 19203 263 1 . 1 1 60 60 LYS CA C 60 57.425 57.425 59.588 -2.163 19203 264 1 . 1 1 60 60 LYS CB C 60 29.640 29.640 32.431 -2.791 19203 265 1 . 1 1 60 60 LYS H H 60 8.955 8.955 8.868 0.087 19203 266 1 . 1 1 61 61 GLU N N 61 117.610 117.610 118.855 -1.245 19203 267 1 . 1 1 61 61 GLU HA H 61 3.973 3.973 4.088 -0.115 19203 268 1 . 1 1 61 61 GLU CA C 61 56.872 56.872 59.944 -3.072 19203 269 1 . 1 1 61 61 GLU CB C 61 26.091 26.091 28.931 -2.840 19203 270 1 . 1 1 61 61 GLU H H 61 9.814 9.814 8.827 0.987 19203 271 1 . 1 1 62 62 ASP N N 62 121.439 121.439 120.219 1.220 19203 272 1 . 1 1 62 62 ASP HA H 62 4.349 4.349 4.548 -0.199 19203 273 1 . 1 1 62 62 ASP CA C 62 53.423 53.423 57.117 -3.694 19203 274 1 . 1 1 62 62 ASP CB C 62 37.270 37.270 40.615 -3.345 19203 275 1 . 1 1 62 62 ASP H H 62 6.760 6.760 8.214 -1.454 19203 276 1 . 1 1 63 63 MET N N 63 120.225 120.225 120.141 0.084 19203 277 1 . 1 1 63 63 MET HA H 63 3.070 3.070 3.433 -0.363 19203 278 1 . 1 1 63 63 MET CA C 63 56.211 56.211 58.842 -2.631 19203 279 1 . 1 1 63 63 MET CB C 63 30.414 30.414 32.265 -1.851 19203 280 1 . 1 1 63 63 MET H H 63 6.863 6.863 8.288 -1.425 19203 281 1 . 1 1 64 64 THR N N 64 113.874 113.874 115.041 -1.167 19203 282 1 . 1 1 64 64 THR HA H 64 3.663 3.663 3.910 -0.247 19203 283 1 . 1 1 64 64 THR CA C 64 63.733 63.733 66.691 -2.958 19203 284 1 . 1 1 64 64 THR CB C 64 65.692 65.692 68.607 -2.915 19203 285 1 . 1 1 64 64 THR H H 64 7.900 7.900 8.306 -0.406 19203 286 1 . 1 1 65 65 TYR N N 65 122.573 122.573 122.560 0.013 19203 287 1 . 1 1 65 65 TYR HA H 65 4.005 4.005 4.077 -0.072 19203 288 1 . 1 1 65 65 TYR CA C 65 58.450 58.450 61.492 -3.042 19203 289 1 . 1 1 65 65 TYR CB C 65 35.698 35.698 38.274 -2.576 19203 290 1 . 1 1 65 65 TYR H H 65 7.530 7.530 8.140 -0.610 19203 291 1 . 1 1 66 66 ALA N N 66 120.898 120.898 121.447 -0.549 19203 292 1 . 1 1 66 66 ALA HA H 66 3.638 3.638 4.081 -0.443 19203 293 1 . 1 1 66 66 ALA CA C 66 53.022 53.022 55.277 -2.255 19203 294 1 . 1 1 66 66 ALA CB C 66 16.582 16.582 17.966 -1.384 19203 295 1 . 1 1 66 66 ALA H H 66 8.144 8.144 8.117 0.027 19203 296 1 . 1 1 67 67 VAL N N 67 115.474 115.474 116.155 -0.681 19203 297 1 . 1 1 67 67 VAL HA H 67 3.316 3.316 3.776 -0.460 19203 298 1 . 1 1 67 67 VAL CA C 67 63.649 63.649 64.957 -1.308 19203 299 1 . 1 1 67 67 VAL CB C 67 29.462 29.462 31.458 -1.996 19203 300 1 . 1 1 67 67 VAL H H 67 7.602 7.602 7.549 0.053 19203 301 1 . 1 1 68 68 ARG N N 68 116.635 116.635 116.908 -0.273 19203 302 1 . 1 1 68 68 ARG HA H 68 4.042 4.042 4.331 -0.289 19203 303 1 . 1 1 68 68 ARG CA C 68 55.989 55.989 56.891 -0.902 19203 304 1 . 1 1 68 68 ARG CB C 68 28.452 28.452 31.025 -2.573 19203 305 1 . 1 1 68 68 ARG H H 68 7.531 7.531 7.612 -0.081 19203 306 1 . 1 1 69 69 LYS N N 69 115.566 115.566 116.641 -1.075 19203 307 1 . 1 1 69 69 LYS HA H 69 4.221 4.221 4.405 -0.184 19203 308 1 . 1 1 69 69 LYS CA C 69 53.569 53.569 56.308 -2.739 19203 309 1 . 1 1 69 69 LYS CB C 69 30.993 30.993 34.232 -3.239 19203 310 1 . 1 1 69 69 LYS H H 69 8.664 8.664 8.031 0.633 19203 311 1 . 1 1 70 70 LEU N N 70 114.943 114.943 120.371 -5.428 19203 312 1 . 1 1 70 70 LEU HA H 70 4.826 4.826 4.628 0.198 19203 313 1 . 1 1 70 70 LEU CA C 70 51.486 51.486 54.891 -3.405 19203 314 1 . 1 1 70 70 LEU CB C 70 39.265 39.265 42.998 -3.733 19203 315 1 . 1 1 70 70 LEU H H 70 8.164 8.164 7.976 0.188 19203 316 1 . 1 1 71 71 ASP N N 71 119.864 119.864 119.307 0.557 19203 317 1 . 1 1 71 71 ASP HA H 71 4.392 4.392 4.656 -0.264 19203 318 1 . 1 1 71 71 ASP CA C 71 54.184 54.184 53.812 0.372 19203 319 1 . 1 1 71 71 ASP CB C 71 39.463 39.463 42.666 -3.203 19203 320 1 . 1 1 71 71 ASP H H 71 6.910 6.910 7.661 -0.751 19203 321 1 . 1 1 72 72 ASN N N 72 123.602 123.602 117.277 6.325 19203 322 1 . 1 1 72 72 ASN HA H 72 4.681 4.681 4.606 0.075 19203 323 1 . 1 1 72 72 ASN CA C 72 51.702 51.702 54.418 -2.716 19203 324 1 . 1 1 72 72 ASN CB C 72 35.060 35.060 37.737 -2.677 19203 325 1 . 1 1 72 72 ASN H H 72 9.037 9.037 8.599 0.438 19203 326 1 . 1 1 73 73 THR N N 73 105.063 105.063 108.735 -3.672 19203 327 1 . 1 1 73 73 THR HA H 73 4.674 4.674 4.494 0.180 19203 328 1 . 1 1 73 73 THR CA C 73 57.397 57.397 61.485 -4.088 19203 329 1 . 1 1 73 73 THR CB C 73 70.412 70.412 70.703 -0.291 19203 330 1 . 1 1 73 73 THR H H 73 7.187 7.187 7.715 -0.528 19203 331 1 . 1 1 74 74 LYS N N 74 120.141 120.141 121.367 -1.226 19203 332 1 . 1 1 74 74 LYS HA H 74 3.656 3.656 4.773 -1.117 19203 333 1 . 1 1 74 74 LYS CA C 74 53.833 53.833 56.601 -2.768 19203 334 1 . 1 1 74 74 LYS CB C 74 29.905 29.905 34.130 -4.225 19203 335 1 . 1 1 74 74 LYS H H 74 8.384 8.384 8.486 -0.101 19203 336 1 . 1 1 75 75 PHE N N 75 132.829 132.829 121.261 11.568 19203 337 1 . 1 1 75 75 PHE HA H 75 4.316 4.316 4.346 -0.030 19203 338 1 . 1 1 75 75 PHE CA C 75 53.203 53.203 56.541 -3.338 19203 339 1 . 1 1 75 75 PHE CB C 75 40.456 40.456 42.597 -2.141 19203 340 1 . 1 1 75 75 PHE H H 75 9.243 9.243 8.697 0.546 19203 341 1 . 1 1 76 76 ARG N N 76 128.489 128.489 126.155 2.334 19203 342 1 . 1 1 76 76 ARG HA H 76 4.798 4.798 4.472 0.326 19203 343 1 . 1 1 76 76 ARG CA C 76 50.981 50.981 55.180 -4.199 19203 344 1 . 1 1 76 76 ARG CB C 76 30.374 30.374 31.160 -0.786 19203 345 1 . 1 1 76 76 ARG H H 76 8.293 8.293 7.520 0.773 19203 346 1 . 1 1 77 77 SER N N 77 120.971 120.971 117.272 3.699 19203 347 1 . 1 1 77 77 SER HA H 77 4.278 4.278 4.696 -0.418 19203 348 1 . 1 1 77 77 SER CA C 77 53.406 53.406 56.945 -3.539 19203 349 1 . 1 1 77 77 SER CB C 77 63.802 63.802 65.565 -1.763 19203 350 1 . 1 1 77 77 SER H H 77 9.107 9.107 8.379 0.728 19203 351 1 . 1 1 78 78 HIS N N 78 118.463 118.463 120.815 -2.352 19203 352 1 . 1 1 78 78 HIS HA H 78 4.375 4.375 4.483 -0.108 19203 353 1 . 1 1 78 78 HIS CA C 78 55.891 55.891 57.432 -1.541 19203 354 1 . 1 1 78 78 HIS CB C 78 24.239 24.239 29.873 -5.634 19203 355 1 . 1 1 78 78 HIS H H 78 9.696 9.696 8.812 0.884 19203 356 1 . 1 1 79 79 GLU N N 79 116.714 116.714 118.999 -2.285 19203 357 1 . 1 1 79 79 GLU HA H 79 4.343 4.343 4.329 0.014 19203 358 1 . 1 1 79 79 GLU CA C 79 52.940 52.940 55.952 -3.012 19203 359 1 . 1 1 79 79 GLU CB C 79 27.513 27.513 29.579 -2.066 19203 360 1 . 1 1 79 79 GLU H H 79 7.053 7.053 7.931 -0.878 19203 361 1 . 1 1 80 80 GLY N N 80 108.106 108.106 107.998 0.108 19203 362 1 . 1 1 80 80 GLY CA C 80 42.637 42.637 45.580 -2.943 19203 363 1 . 1 1 80 80 GLY H H 80 7.835 7.835 8.071 -0.236 19203 364 1 . 1 1 81 81 GLU N N 81 119.017 119.017 117.978 1.039 19203 365 1 . 1 1 81 81 GLU HA H 81 4.334 4.334 4.775 -0.441 19203 366 1 . 1 1 81 81 GLU CA C 81 53.727 53.727 54.512 -0.784 19203 367 1 . 1 1 81 81 GLU CB C 81 29.478 29.478 31.613 -2.135 19203 368 1 . 1 1 81 81 GLU H H 81 7.067 7.067 7.917 -0.850 19203 369 1 . 1 1 82 82 THR N N 82 114.312 114.312 111.253 3.059 19203 370 1 . 1 1 82 82 THR HA H 82 5.771 5.771 5.088 0.683 19203 371 1 . 1 1 82 82 THR CA C 82 56.694 56.694 60.434 -3.740 19203 372 1 . 1 1 82 82 THR CB C 82 69.359 69.359 71.666 -2.307 19203 373 1 . 1 1 82 82 THR H H 82 8.499 8.499 8.251 0.248 19203 374 1 . 1 1 83 83 ALA N N 83 123.125 123.125 126.906 -3.781 19203 375 1 . 1 1 83 83 ALA HA H 83 4.441 4.441 4.824 -0.383 19203 376 1 . 1 1 83 83 ALA CA C 83 49.097 49.097 50.595 -1.498 19203 377 1 . 1 1 83 83 ALA CB C 83 21.499 21.499 21.533 -0.034 19203 378 1 . 1 1 83 83 ALA H H 83 8.674 8.674 8.554 0.120 19203 379 1 . 1 1 84 84 TYR N N 84 120.587 120.587 117.352 3.235 19203 380 1 . 1 1 84 84 TYR HA H 84 4.973 4.973 5.509 -0.536 19203 381 1 . 1 1 84 84 TYR CA C 84 55.900 55.900 55.938 -0.037 19203 382 1 . 1 1 84 84 TYR CB C 84 36.152 36.152 40.198 -4.046 19203 383 1 . 1 1 84 84 TYR H H 84 8.708 8.708 8.345 0.363 19203 384 1 . 1 1 85 85 ILE N N 85 116.081 116.081 113.967 2.114 19203 385 1 . 1 1 85 85 ILE HA H 85 4.852 4.852 5.023 -0.171 19203 386 1 . 1 1 85 85 ILE CA C 85 56.929 56.929 58.633 -1.704 19203 387 1 . 1 1 85 85 ILE CB C 85 38.375 38.375 42.374 -3.999 19203 388 1 . 1 1 85 85 ILE H H 85 8.182 8.182 8.801 -0.619 19203 389 1 . 1 1 86 86 ARG N N 86 117.289 117.289 120.011 -2.721 19203 390 1 . 1 1 86 86 ARG HA H 86 5.237 5.237 4.982 0.255 19203 391 1 . 1 1 86 86 ARG CA C 86 49.147 49.147 54.061 -4.914 19203 392 1 . 1 1 86 86 ARG CB C 86 27.473 27.473 33.317 -5.844 19203 393 1 . 1 1 86 86 ARG H H 86 8.250 8.250 8.418 -0.168 19203 394 1 . 1 1 87 87 VAL N N 87 121.679 121.679 123.333 -1.654 19203 395 1 . 1 1 87 87 VAL HA H 87 4.633 4.633 4.617 0.016 19203 396 1 . 1 1 87 87 VAL CA C 87 58.639 58.639 61.473 -2.834 19203 397 1 . 1 1 87 87 VAL CB C 87 32.629 32.629 33.365 -0.736 19203 398 1 . 1 1 87 87 VAL H H 87 8.983 8.983 8.813 0.170 19203 399 1 . 1 1 88 88 LYS N N 88 123.579 123.579 124.708 -1.129 19203 400 1 . 1 1 88 88 LYS HA H 88 4.753 4.753 4.672 0.081 19203 401 1 . 1 1 88 88 LYS CA C 88 51.898 51.898 54.319 -2.421 19203 402 1 . 1 1 88 88 LYS CB C 88 34.143 34.143 35.383 -1.240 19203 403 1 . 1 1 88 88 LYS H H 88 8.679 8.679 8.559 0.120 19203 404 1 . 1 1 89 89 VAL N N 89 119.787 119.787 121.158 -1.371 19203 405 1 . 1 1 89 89 VAL HA H 89 4.125 4.125 4.003 0.122 19203 406 1 . 1 1 89 89 VAL CA C 89 61.040 61.040 62.414 -1.374 19203 407 1 . 1 1 89 89 VAL CB C 89 30.341 30.341 31.870 -1.529 19203 408 1 . 1 1 89 89 VAL H H 89 8.454 8.454 8.516 -0.062 19203 stop_ save_