data_17822 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17822 _Entry.PDB_ID 2LGT 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 17822 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 125.964 125.964 123.819 2.145 17822 2 1 1 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.485 0.127 17822 3 1 1 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.890 0.402 17822 4 1 1 . 1 1 2 2 ALA H H 2 8.065 8.065 8.067 -0.002 17822 5 1 1 . 1 1 3 3 ASP N N 3 119.188 119.188 118.444 0.744 17822 6 1 1 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.615 -0.005 17822 7 1 1 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.780 -0.898 17822 8 1 1 . 1 1 3 3 ASP CB C 3 40.810 40.810 40.894 -0.084 17822 9 1 1 . 1 1 3 3 ASP H H 3 8.203 8.203 8.296 -0.093 17822 10 1 1 . 1 1 4 4 ASP N N 4 121.607 121.607 116.824 4.783 17822 11 1 1 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.970 -0.598 17822 12 1 1 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.625 0.136 17822 13 1 1 . 1 1 4 4 ASP CB C 4 40.910 40.910 43.279 -2.369 17822 14 1 1 . 1 1 4 4 ASP H H 4 7.954 7.954 8.062 -0.108 17822 15 1 1 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.424 -0.172 17822 16 1 1 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.607 -1.239 17822 17 1 1 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.105 -0.246 17822 18 1 1 . 1 1 6 6 SER N N 6 115.864 115.864 114.359 1.505 17822 19 1 1 . 1 1 6 6 SER HA H 6 4.252 4.252 4.377 -0.125 17822 20 1 1 . 1 1 6 6 SER CA C 6 58.870 58.870 60.494 -1.624 17822 21 1 1 . 1 1 6 6 SER CB C 6 63.368 63.368 62.890 0.478 17822 22 1 1 . 1 1 6 6 SER H H 6 8.310 8.310 8.502 -0.192 17822 23 1 1 . 1 1 7 7 ALA N N 7 125.955 125.955 124.253 1.702 17822 24 1 1 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.119 -0.120 17822 25 1 1 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.146 -0.837 17822 26 1 1 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.861 0.690 17822 27 1 1 . 1 1 7 7 ALA H H 7 7.854 7.854 8.438 -0.584 17822 28 1 1 . 1 1 8 8 ALA N N 8 122.354 122.354 122.153 0.201 17822 29 1 1 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.013 -0.216 17822 30 1 1 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.069 -1.474 17822 31 1 1 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.237 0.215 17822 32 1 1 . 1 1 8 8 ALA H H 8 7.910 7.910 7.917 -0.007 17822 33 1 1 . 1 1 9 9 ASP N N 9 119.431 119.431 117.811 1.620 17822 34 1 1 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.361 -0.042 17822 35 1 1 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.282 -2.139 17822 36 1 1 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.363 0.260 17822 37 1 1 . 1 1 9 9 ASP H H 9 7.970 7.970 7.945 0.025 17822 38 1 1 . 1 1 10 10 ARG N N 10 122.263 122.263 120.678 1.585 17822 39 1 1 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.270 -0.434 17822 40 1 1 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.986 -1.206 17822 41 1 1 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.588 -0.707 17822 42 1 1 . 1 1 10 10 ARG H H 10 8.036 8.036 8.084 -0.048 17822 43 1 1 . 1 1 11 11 ASN N N 11 118.325 118.325 117.628 0.697 17822 44 1 1 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.434 -0.131 17822 45 1 1 . 1 1 11 11 ASN CA C 11 55.143 55.143 56.014 -0.871 17822 46 1 1 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.464 -0.662 17822 47 1 1 . 1 1 11 11 ASN H H 11 8.077 8.077 7.715 0.362 17822 48 1 1 . 1 1 12 12 VAL N N 12 122.103 122.103 121.002 1.101 17822 49 1 1 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.589 1.026 17822 50 1 1 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.481 -0.860 17822 51 1 1 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.533 -0.047 17822 52 1 1 . 1 1 12 12 VAL H H 12 7.741 7.741 8.109 -0.368 17822 53 1 1 . 1 1 13 13 GLU N N 13 120.785 120.785 119.566 1.219 17822 54 1 1 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.917 -0.683 17822 55 1 1 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.306 5.755 17822 56 1 1 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.907 0.861 17822 57 1 1 . 1 1 13 13 GLU H H 13 7.751 7.751 7.622 0.129 17822 58 1 1 . 1 1 14 14 ILE N N 14 120.199 120.199 120.175 0.024 17822 59 1 1 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.302 0.486 17822 60 1 1 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.510 -5.328 17822 61 1 1 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.258 -1.264 17822 62 1 1 . 1 1 14 14 ILE H H 14 7.650 7.650 7.129 0.521 17822 63 1 1 . 1 1 15 15 TRP N N 15 120.828 120.828 117.539 3.289 17822 64 1 1 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.599 -0.546 17822 65 1 1 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.572 3.018 17822 66 1 1 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.700 -0.256 17822 67 1 1 . 1 1 15 15 TRP H H 15 7.759 7.759 7.085 0.674 17822 68 1 1 . 1 1 16 16 LYS N N 16 119.063 119.063 122.187 -3.124 17822 69 1 1 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.183 -0.693 17822 70 1 1 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.120 1.849 17822 71 1 1 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.936 0.242 17822 72 1 1 . 1 1 16 16 LYS H H 16 7.963 7.963 7.744 0.219 17822 73 1 1 . 1 1 17 17 ILE N N 17 120.609 120.609 119.609 1.000 17822 74 1 1 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.876 -0.265 17822 75 1 1 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.305 -0.849 17822 76 1 1 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.581 -1.283 17822 77 1 1 . 1 1 17 17 ILE H H 17 7.630 7.630 8.465 -0.835 17822 78 1 1 . 1 1 18 18 LYS N N 18 121.687 121.687 119.176 2.511 17822 79 1 1 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.035 -0.452 17822 80 1 1 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.492 1.438 17822 81 1 1 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.558 0.524 17822 82 1 1 . 1 1 18 18 LYS H H 18 8.297 8.297 7.767 0.530 17822 83 1 1 . 1 1 19 19 LYS N N 19 119.253 119.253 119.059 0.194 17822 84 1 1 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.100 -0.483 17822 85 1 1 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.796 0.189 17822 86 1 1 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.173 -0.314 17822 87 1 1 . 1 1 19 19 LYS H H 19 7.685 7.685 7.656 0.029 17822 88 1 1 . 1 1 20 20 LEU N N 20 123.001 123.001 122.128 0.873 17822 89 1 1 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.972 -0.147 17822 90 1 1 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.803 -0.022 17822 91 1 1 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.899 -0.488 17822 92 1 1 . 1 1 20 20 LEU H H 20 7.509 7.509 7.123 0.386 17822 93 1 1 . 1 1 21 21 ILE N N 21 119.392 119.392 118.519 0.873 17822 94 1 1 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.681 -0.611 17822 95 1 1 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.619 2.876 17822 96 1 1 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.109 1.094 17822 97 1 1 . 1 1 21 21 ILE H H 21 8.474 8.474 7.993 0.481 17822 98 1 1 . 1 1 22 22 LYS N N 22 117.524 117.524 118.462 -0.938 17822 99 1 1 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.079 -0.273 17822 100 1 1 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.095 -0.282 17822 101 1 1 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.190 -0.303 17822 102 1 1 . 1 1 22 22 LYS H H 22 7.300 7.300 7.614 -0.314 17822 103 1 1 . 1 1 23 23 SER N N 23 114.880 114.880 114.972 -0.092 17822 104 1 1 . 1 1 23 23 SER HA H 23 4.008 4.008 4.323 -0.315 17822 105 1 1 . 1 1 23 23 SER CA C 23 61.106 61.106 61.031 0.075 17822 106 1 1 . 1 1 23 23 SER CB C 23 62.587 62.587 63.644 -1.057 17822 107 1 1 . 1 1 23 23 SER H H 23 7.653 7.653 7.479 0.174 17822 108 1 1 . 1 1 24 24 LEU N N 24 121.607 121.607 122.148 -0.541 17822 109 1 1 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.430 0.442 17822 110 1 1 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.955 -1.092 17822 111 1 1 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.111 0.178 17822 112 1 1 . 1 1 24 24 LEU H H 24 8.158 8.158 8.540 -0.382 17822 113 1 1 . 1 1 25 25 GLU N N 25 119.392 119.392 117.686 1.706 17822 114 1 1 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.122 -0.241 17822 115 1 1 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.991 -0.408 17822 116 1 1 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.316 -0.136 17822 117 1 1 . 1 1 25 25 GLU H H 25 8.344 8.344 7.835 0.509 17822 118 1 1 . 1 1 26 26 ALA N N 26 119.228 119.228 119.419 -0.191 17822 119 1 1 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.366 -0.249 17822 120 1 1 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.779 0.211 17822 121 1 1 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.219 -0.266 17822 122 1 1 . 1 1 26 26 ALA H H 26 7.154 7.154 7.359 -0.205 17822 123 1 1 . 1 1 27 27 ALA N N 27 121.417 121.417 123.132 -1.715 17822 124 1 1 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.217 -0.147 17822 125 1 1 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.136 -0.668 17822 126 1 1 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.296 0.007 17822 127 1 1 . 1 1 27 27 ALA H H 27 6.833 6.833 7.521 -0.688 17822 128 1 1 . 1 1 28 28 ARG N N 28 123.986 123.986 123.074 0.912 17822 129 1 1 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.455 0.041 17822 130 1 1 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.251 -1.082 17822 131 1 1 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.463 0.498 17822 132 1 1 . 1 1 28 28 ARG H H 28 8.679 8.679 8.299 0.380 17822 133 1 1 . 1 1 29 29 GLY N N 29 109.466 109.466 108.055 1.411 17822 134 1 1 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.895 -0.506 17822 135 1 1 . 1 1 29 29 GLY H H 29 8.091 8.091 8.171 -0.080 17822 136 1 1 . 1 1 30 30 ASN N N 30 120.048 120.048 117.046 3.002 17822 137 1 1 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.590 0.066 17822 138 1 1 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.108 -1.479 17822 139 1 1 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.070 -1.268 17822 140 1 1 . 1 1 30 30 ASN H H 30 8.419 8.419 8.580 -0.161 17822 141 1 1 . 1 1 31 31 GLY N N 31 110.450 110.450 105.916 4.534 17822 142 1 1 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.537 -0.851 17822 143 1 1 . 1 1 31 31 GLY H H 31 8.071 8.071 8.572 -0.501 17822 144 1 1 . 1 1 32 32 THR N N 32 112.929 112.929 117.419 -4.490 17822 145 1 1 . 1 1 32 32 THR HA H 32 4.993 4.993 4.510 0.483 17822 146 1 1 . 1 1 32 32 THR CA C 32 59.598 59.598 60.409 -0.811 17822 147 1 1 . 1 1 32 32 THR H H 32 7.747 7.747 7.691 0.056 17822 148 1 1 . 1 1 33 33 SER N N 33 115.208 115.208 115.790 -0.582 17822 149 1 1 . 1 1 33 33 SER HA H 33 4.335 4.335 4.760 -0.425 17822 150 1 1 . 1 1 33 33 SER CA C 33 58.067 58.067 57.068 0.999 17822 151 1 1 . 1 1 33 33 SER CB C 33 64.572 64.572 65.085 -0.513 17822 152 1 1 . 1 1 33 33 SER H H 33 7.701 7.701 8.628 -0.927 17822 153 1 1 . 1 1 34 34 MET N N 34 120.869 120.869 120.591 0.278 17822 154 1 1 . 1 1 34 34 MET HA H 34 4.666 4.666 4.979 -0.313 17822 155 1 1 . 1 1 34 34 MET CA C 34 54.799 54.799 53.227 1.572 17822 156 1 1 . 1 1 34 34 MET CB C 34 34.700 34.700 34.153 0.547 17822 157 1 1 . 1 1 34 34 MET H H 34 8.679 8.679 8.310 0.369 17822 158 1 1 . 1 1 35 35 ILE N N 35 126.806 126.806 120.845 5.961 17822 159 1 1 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.115 2.055 17822 160 1 1 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.783 0.119 17822 161 1 1 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.931 -1.258 17822 162 1 1 . 1 1 35 35 ILE H H 35 9.562 9.562 8.280 1.282 17822 163 1 1 . 1 1 36 36 SER N N 36 122.217 122.217 123.060 -0.843 17822 164 1 1 . 1 1 36 36 SER HA H 36 4.968 4.968 5.065 -0.097 17822 165 1 1 . 1 1 36 36 SER CA C 36 56.602 56.602 56.827 -0.225 17822 166 1 1 . 1 1 36 36 SER CB C 36 64.572 64.572 64.184 0.388 17822 167 1 1 . 1 1 36 36 SER H H 36 8.422 8.422 7.964 0.458 17822 168 1 1 . 1 1 37 37 LEU N N 37 128.938 128.938 123.626 5.312 17822 169 1 1 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.934 0.047 17822 170 1 1 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.707 0.774 17822 171 1 1 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.415 -0.039 17822 172 1 1 . 1 1 37 37 LEU H H 37 8.916 8.916 7.652 1.264 17822 173 1 1 . 1 1 38 38 ILE N N 38 128.296 128.296 114.997 13.299 17822 174 1 1 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.997 -0.025 17822 175 1 1 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.739 0.107 17822 176 1 1 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.173 -2.168 17822 177 1 1 . 1 1 38 38 ILE H H 38 8.740 8.740 8.494 0.246 17822 178 1 1 . 1 1 39 39 ILE N N 39 125.429 125.429 123.650 1.779 17822 179 1 1 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.616 -0.217 17822 180 1 1 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.648 -0.925 17822 181 1 1 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.308 2.353 17822 182 1 1 . 1 1 39 39 ILE H H 39 8.960 8.960 8.170 0.790 17822 183 1 1 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.802 -0.395 17822 184 1 1 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.510 5.672 17822 185 1 1 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.164 0.208 17822 186 1 1 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.400 -0.579 17822 187 1 1 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.398 3.417 17822 188 1 1 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.820 0.357 17822 189 1 1 . 1 1 42 42 LYS N N 42 113.683 113.683 117.454 -3.771 17822 190 1 1 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.430 -0.474 17822 191 1 1 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.095 0.711 17822 192 1 1 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.241 -2.059 17822 193 1 1 . 1 1 42 42 LYS H H 42 8.004 8.004 8.345 -0.341 17822 194 1 1 . 1 1 43 43 ASP N N 43 121.628 121.628 118.164 3.464 17822 195 1 1 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.763 -0.328 17822 196 1 1 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.161 -0.655 17822 197 1 1 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.909 -1.694 17822 198 1 1 . 1 1 43 43 ASP H H 43 7.290 7.290 7.483 -0.193 17822 199 1 1 . 1 1 44 44 GLN N N 44 117.587 117.587 116.990 0.597 17822 200 1 1 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.615 -0.078 17822 201 1 1 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.475 -0.536 17822 202 1 1 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.691 -0.147 17822 203 1 1 . 1 1 44 44 GLN H H 44 9.610 9.610 8.240 1.370 17822 204 1 1 . 1 1 45 45 ILE N N 45 126.939 126.939 121.941 4.998 17822 205 1 1 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.727 -0.426 17822 206 1 1 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.116 0.168 17822 207 1 1 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.087 -1.454 17822 208 1 1 . 1 1 45 45 ILE H H 45 8.806 8.806 9.110 -0.304 17822 209 1 1 . 1 1 46 46 SER N N 46 113.239 113.239 114.232 -0.993 17822 210 1 1 . 1 1 46 46 SER HA H 46 3.931 3.931 4.242 -0.311 17822 211 1 1 . 1 1 46 46 SER CA C 46 60.762 60.762 61.792 -1.030 17822 212 1 1 . 1 1 46 46 SER CB C 46 61.464 61.464 63.096 -1.632 17822 213 1 1 . 1 1 46 46 SER H H 46 8.476 8.476 8.238 0.238 17822 214 1 1 . 1 1 47 47 ARG N N 47 124.530 124.530 122.236 2.294 17822 215 1 1 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.075 -0.284 17822 216 1 1 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.920 0.007 17822 217 1 1 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.689 0.894 17822 218 1 1 . 1 1 47 47 ARG H H 47 6.731 6.731 7.757 -1.026 17822 219 1 1 . 1 1 48 48 VAL N N 48 121.935 121.935 118.937 2.998 17822 220 1 1 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.745 -0.598 17822 221 1 1 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.659 -0.451 17822 222 1 1 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.084 0.384 17822 223 1 1 . 1 1 48 48 VAL H H 48 7.257 7.257 7.540 -0.283 17822 224 1 1 . 1 1 49 49 ALA N N 49 122.345 122.345 119.791 2.554 17822 225 1 1 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.052 -0.170 17822 226 1 1 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.806 0.337 17822 227 1 1 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.302 -0.652 17822 228 1 1 . 1 1 49 49 ALA H H 49 8.864 8.864 7.747 1.117 17822 229 1 1 . 1 1 50 50 LYS N N 50 120.376 120.376 119.964 0.412 17822 230 1 1 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.196 -0.293 17822 231 1 1 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.635 0.292 17822 232 1 1 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.445 -0.859 17822 233 1 1 . 1 1 50 50 LYS H H 50 7.380 7.380 7.675 -0.295 17822 234 1 1 . 1 1 51 51 MET N N 51 121.641 121.641 118.079 3.562 17822 235 1 1 . 1 1 51 51 MET HA H 51 3.935 3.935 4.185 -0.250 17822 236 1 1 . 1 1 51 51 MET CA C 51 58.927 58.927 58.736 0.191 17822 237 1 1 . 1 1 51 51 MET CB C 51 30.734 30.734 32.132 -1.398 17822 238 1 1 . 1 1 51 51 MET H H 51 7.508 7.508 8.289 -0.781 17822 239 1 1 . 1 1 52 52 LEU N N 52 120.125 120.125 120.102 0.023 17822 240 1 1 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.253 -0.596 17822 241 1 1 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.876 0.561 17822 242 1 1 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.844 -0.290 17822 243 1 1 . 1 1 52 52 LEU H H 52 8.203 8.203 7.801 0.402 17822 244 1 1 . 1 1 53 53 ALA N N 53 123.639 123.639 122.174 1.465 17822 245 1 1 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.858 0.087 17822 246 1 1 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.429 -0.630 17822 247 1 1 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.739 -0.490 17822 248 1 1 . 1 1 53 53 ALA H H 53 7.775 7.775 7.636 0.139 17822 249 1 1 . 1 1 54 54 ASP N N 54 123.165 123.165 118.182 4.983 17822 250 1 1 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.421 -0.092 17822 251 1 1 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.521 -0.314 17822 252 1 1 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.969 -1.864 17822 253 1 1 . 1 1 54 54 ASP H H 54 8.156 8.156 7.704 0.452 17822 254 1 1 . 1 1 55 55 GLU N N 55 122.017 122.017 119.005 3.012 17822 255 1 1 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.062 -0.186 17822 256 1 1 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.815 -0.232 17822 257 1 1 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.323 -0.304 17822 258 1 1 . 1 1 55 55 GLU H H 55 8.221 8.221 7.680 0.541 17822 259 1 1 . 1 1 56 56 PHE N N 56 123.334 123.334 121.511 1.823 17822 260 1 1 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.297 0.384 17822 261 1 1 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.009 0.506 17822 262 1 1 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.911 0.301 17822 263 1 1 . 1 1 56 56 PHE H H 56 8.711 8.711 8.016 0.695 17822 264 1 1 . 1 1 57 57 GLY N N 57 107.156 107.156 106.343 0.813 17822 265 1 1 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.436 0.047 17822 266 1 1 . 1 1 57 57 GLY H H 57 7.985 7.985 8.090 -0.105 17822 267 1 1 . 1 1 58 58 THR N N 58 118.940 118.940 117.248 1.692 17822 268 1 1 . 1 1 58 58 THR HA H 58 4.062 4.062 4.320 -0.258 17822 269 1 1 . 1 1 58 58 THR CA C 58 65.406 65.406 65.059 0.347 17822 270 1 1 . 1 1 58 58 THR CB C 58 68.408 68.408 68.801 -0.393 17822 271 1 1 . 1 1 58 58 THR H H 58 7.992 7.992 7.800 0.192 17822 272 1 1 . 1 1 59 59 ALA N N 59 126.365 126.365 124.269 2.096 17822 273 1 1 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.083 -0.155 17822 274 1 1 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.567 -0.628 17822 275 1 1 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.895 0.256 17822 276 1 1 . 1 1 59 59 ALA H H 59 8.351 8.351 7.425 0.926 17822 277 1 1 . 1 1 60 60 SER N N 60 112.435 112.435 112.011 0.424 17822 278 1 1 . 1 1 60 60 SER HA H 60 4.632 4.632 4.170 0.462 17822 279 1 1 . 1 1 60 60 SER CA C 60 61.220 61.220 60.365 0.855 17822 280 1 1 . 1 1 60 60 SER CB C 60 62.686 62.686 62.629 0.057 17822 281 1 1 . 1 1 60 60 SER H H 60 7.459 7.459 7.689 -0.230 17822 282 1 1 . 1 1 61 61 ASN N N 61 116.971 116.971 118.716 -1.745 17822 283 1 1 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.718 -0.205 17822 284 1 1 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.898 -0.875 17822 285 1 1 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.299 -0.294 17822 286 1 1 . 1 1 61 61 ASN H H 61 7.372 7.372 7.525 -0.153 17822 287 1 1 . 1 1 62 62 ILE N N 62 123.980 123.980 121.936 2.044 17822 288 1 1 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.902 -0.266 17822 289 1 1 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.283 1.145 17822 290 1 1 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.017 -0.587 17822 291 1 1 . 1 1 62 62 ILE H H 62 7.461 7.461 7.390 0.071 17822 292 1 1 . 1 1 63 63 LYS N N 63 128.982 128.982 127.188 1.794 17822 293 1 1 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.119 -0.322 17822 294 1 1 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.243 0.455 17822 295 1 1 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.462 0.244 17822 296 1 1 . 1 1 63 63 LYS H H 63 8.417 8.417 8.560 -0.143 17822 297 1 1 . 1 1 64 64 SER N N 64 114.306 114.306 117.603 -3.297 17822 298 1 1 . 1 1 64 64 SER HA H 64 4.616 4.616 4.545 0.071 17822 299 1 1 . 1 1 64 64 SER CA C 64 56.749 56.749 57.641 -0.892 17822 300 1 1 . 1 1 64 64 SER CB C 64 62.962 62.962 62.989 -0.027 17822 301 1 1 . 1 1 64 64 SER H H 64 7.599 7.599 8.076 -0.477 17822 302 1 1 . 1 1 65 65 ARG N N 65 132.125 132.125 128.058 4.067 17822 303 1 1 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.888 0.418 17822 304 1 1 . 1 1 65 65 ARG CA C 65 59.902 59.902 60.006 -0.104 17822 305 1 1 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.931 3.167 17822 306 1 1 . 1 1 65 65 ARG H H 65 8.689 8.689 8.732 -0.043 17822 307 1 1 . 1 1 66 66 VAL N N 66 116.947 116.947 119.261 -2.314 17822 308 1 1 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.582 -0.031 17822 309 1 1 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.685 -1.222 17822 310 1 1 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.192 0.394 17822 311 1 1 . 1 1 66 66 VAL H H 66 7.946 7.946 8.217 -0.271 17822 312 1 1 . 1 1 67 67 ASN N N 67 119.499 119.499 116.964 2.535 17822 313 1 1 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.332 0.081 17822 314 1 1 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.252 -0.879 17822 315 1 1 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.188 -0.152 17822 316 1 1 . 1 1 67 67 ASN H H 67 7.386 7.386 7.719 -0.333 17822 317 1 1 . 1 1 68 68 ARG N N 68 122.132 122.132 121.765 0.367 17822 318 1 1 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.936 -0.342 17822 319 1 1 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.498 0.300 17822 320 1 1 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.060 0.499 17822 321 1 1 . 1 1 68 68 ARG H H 68 8.566 8.566 7.698 0.868 17822 322 1 1 . 1 1 69 69 LEU N N 69 116.564 116.564 118.659 -2.095 17822 323 1 1 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.243 -0.460 17822 324 1 1 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.302 0.593 17822 325 1 1 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.754 -0.145 17822 326 1 1 . 1 1 69 69 LEU H H 69 8.167 8.167 8.639 -0.472 17822 327 1 1 . 1 1 70 70 SER N N 70 116.805 116.805 114.105 2.700 17822 328 1 1 . 1 1 70 70 SER HA H 70 4.132 4.132 4.277 -0.145 17822 329 1 1 . 1 1 70 70 SER CA C 70 61.450 61.450 61.174 0.276 17822 330 1 1 . 1 1 70 70 SER CB C 70 62.635 62.635 63.067 -0.432 17822 331 1 1 . 1 1 70 70 SER H H 70 7.589 7.589 7.568 0.021 17822 332 1 1 . 1 1 71 71 VAL N N 71 124.991 124.991 124.118 0.873 17822 333 1 1 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.983 -0.500 17822 334 1 1 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.698 2.141 17822 335 1 1 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.480 0.169 17822 336 1 1 . 1 1 71 71 VAL H H 71 7.934 7.934 8.449 -0.515 17822 337 1 1 . 1 1 72 72 LEU N N 72 118.680 118.680 119.743 -1.063 17822 338 1 1 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.041 -0.320 17822 339 1 1 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.941 0.298 17822 340 1 1 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.852 -0.554 17822 341 1 1 . 1 1 72 72 LEU H H 72 8.354 8.354 8.717 -0.363 17822 342 1 1 . 1 1 73 73 GLY N N 73 106.674 106.674 106.131 0.543 17822 343 1 1 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.402 -0.457 17822 344 1 1 . 1 1 73 73 GLY H H 73 8.052 8.052 7.933 0.119 17822 345 1 1 . 1 1 74 74 ALA N N 74 127.313 127.313 124.675 2.638 17822 346 1 1 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.226 -0.073 17822 347 1 1 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.051 1.322 17822 348 1 1 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.612 -0.806 17822 349 1 1 . 1 1 74 74 ALA H H 74 7.784 7.784 7.439 0.345 17822 350 1 1 . 1 1 75 75 ILE N N 75 119.310 119.310 119.435 -0.125 17822 351 1 1 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.683 -0.321 17822 352 1 1 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.578 1.032 17822 353 1 1 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.279 0.145 17822 354 1 1 . 1 1 75 75 ILE H H 75 8.638 8.638 7.986 0.652 17822 355 1 1 . 1 1 76 76 THR N N 76 116.205 116.205 113.398 2.807 17822 356 1 1 . 1 1 76 76 THR HA H 76 4.227 4.227 4.034 0.193 17822 357 1 1 . 1 1 76 76 THR CA C 76 66.782 66.782 66.994 -0.212 17822 358 1 1 . 1 1 76 76 THR CB C 76 68.478 68.478 68.685 -0.207 17822 359 1 1 . 1 1 76 76 THR H H 76 8.317 8.317 8.563 -0.246 17822 360 1 1 . 1 1 77 77 SER N N 77 118.405 118.405 117.897 0.508 17822 361 1 1 . 1 1 77 77 SER HA H 77 4.173 4.173 4.294 -0.121 17822 362 1 1 . 1 1 77 77 SER CA C 77 62.482 62.482 62.247 0.235 17822 363 1 1 . 1 1 77 77 SER CB C 77 63.484 63.484 63.114 0.370 17822 364 1 1 . 1 1 77 77 SER H H 77 7.843 7.843 7.598 0.245 17822 365 1 1 . 1 1 78 78 VAL N N 78 124.171 124.171 121.624 2.547 17822 366 1 1 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.715 -0.142 17822 367 1 1 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.907 0.817 17822 368 1 1 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.718 -0.734 17822 369 1 1 . 1 1 78 78 VAL H H 78 8.153 8.153 8.120 0.033 17822 370 1 1 . 1 1 79 79 GLN N N 79 120.008 120.008 119.147 0.861 17822 371 1 1 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.885 0.044 17822 372 1 1 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.866 -0.480 17822 373 1 1 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.465 0.314 17822 374 1 1 . 1 1 79 79 GLN H H 79 8.688 8.688 8.597 0.091 17822 375 1 1 . 1 1 80 80 GLN N N 80 116.870 116.870 116.720 0.150 17822 376 1 1 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.112 -0.337 17822 377 1 1 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.481 0.045 17822 378 1 1 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.592 -0.615 17822 379 1 1 . 1 1 80 80 GLN H H 80 7.850 7.850 7.736 0.114 17822 380 1 1 . 1 1 81 81 ARG N N 81 119.074 119.074 119.392 -0.318 17822 381 1 1 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.179 -0.187 17822 382 1 1 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.236 -1.601 17822 383 1 1 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.575 -2.253 17822 384 1 1 . 1 1 81 81 ARG H H 81 7.520 7.520 7.752 -0.232 17822 385 1 1 . 1 1 82 82 LEU N N 82 117.238 117.238 119.562 -2.324 17822 386 1 1 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.223 -0.332 17822 387 1 1 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.097 -0.660 17822 388 1 1 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.232 -0.422 17822 389 1 1 . 1 1 82 82 LEU H H 82 8.189 8.189 8.372 -0.183 17822 390 1 1 . 1 1 83 83 LYS N N 83 114.899 114.899 118.773 -3.874 17822 391 1 1 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.044 -0.099 17822 392 1 1 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.913 -1.247 17822 393 1 1 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.999 -0.012 17822 394 1 1 . 1 1 83 83 LYS H H 83 7.064 7.064 7.638 -0.574 17822 395 1 1 . 1 1 84 84 LEU N N 84 117.840 117.840 117.944 -0.104 17822 396 1 1 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.019 -0.146 17822 397 1 1 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.492 -1.177 17822 398 1 1 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.986 -1.056 17822 399 1 1 . 1 1 84 84 LEU H H 84 7.271 7.271 7.663 -0.392 17822 400 1 1 . 1 1 85 85 TYR N N 85 119.720 119.720 116.993 2.727 17822 401 1 1 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.575 -0.320 17822 402 1 1 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.425 1.642 17822 403 1 1 . 1 1 85 85 TYR CB C 85 39.068 39.068 35.911 3.156 17822 404 1 1 . 1 1 85 85 TYR H H 85 7.633 7.633 7.360 0.273 17822 405 1 1 . 1 1 86 86 ASN N N 86 119.638 119.638 118.204 1.434 17822 406 1 1 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.378 0.096 17822 407 1 1 . 1 1 86 86 ASN CA C 86 53.882 53.882 56.034 -2.152 17822 408 1 1 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.811 -0.069 17822 409 1 1 . 1 1 86 86 ASN H H 86 8.622 8.622 7.911 0.711 17822 410 1 1 . 1 1 87 87 LYS N N 87 116.321 116.321 118.433 -2.112 17822 411 1 1 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.298 0.200 17822 412 1 1 . 1 1 87 87 LYS CA C 87 54.169 54.169 56.066 -1.897 17822 413 1 1 . 1 1 87 87 LYS CB C 87 34.673 34.673 33.904 0.769 17822 414 1 1 . 1 1 87 87 LYS H H 87 7.631 7.631 7.826 -0.195 17822 415 1 1 . 1 1 88 88 VAL N N 88 125.141 125.141 118.245 6.896 17822 416 1 1 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.466 -0.844 17822 417 1 1 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.228 3.738 17822 418 1 1 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.840 0.447 17822 419 1 1 . 1 1 88 88 VAL H H 88 8.357 8.357 8.134 0.223 17822 420 1 1 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.685 -0.432 17822 421 1 1 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.257 2.083 17822 422 1 1 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.035 0.519 17822 423 1 1 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.257 0.243 17822 424 1 1 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.103 0.876 17822 425 1 1 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.032 0.156 17822 426 1 1 . 1 1 91 91 ASN N N 91 112.735 112.735 116.166 -3.431 17822 427 1 1 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.508 0.147 17822 428 1 1 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.178 -1.302 17822 429 1 1 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.158 -0.715 17822 430 1 1 . 1 1 91 91 ASN H H 91 9.163 9.163 8.478 0.685 17822 431 1 1 . 1 1 92 92 GLY N N 92 108.893 108.893 106.971 1.922 17822 432 1 1 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.724 -1.283 17822 433 1 1 . 1 1 92 92 GLY H H 92 7.898 7.898 7.331 0.567 17822 434 1 1 . 1 1 93 93 LEU N N 93 117.751 117.751 125.906 -8.155 17822 435 1 1 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.349 -0.025 17822 436 1 1 . 1 1 93 93 LEU CA C 93 53.767 53.767 53.980 -0.213 17822 437 1 1 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.333 5.194 17822 438 1 1 . 1 1 93 93 LEU H H 93 8.508 8.508 7.557 0.951 17822 439 1 1 . 1 1 94 94 VAL N N 94 126.296 126.296 128.065 -1.769 17822 440 1 1 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.683 -0.333 17822 441 1 1 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.171 -0.696 17822 442 1 1 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.357 -0.189 17822 443 1 1 . 1 1 94 94 VAL H H 94 8.168 8.168 7.805 0.363 17822 444 1 1 . 1 1 95 95 VAL N N 95 125.531 125.531 118.140 7.391 17822 445 1 1 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.982 -0.842 17822 446 1 1 . 1 1 95 95 VAL CA C 95 60.303 60.303 60.111 0.192 17822 447 1 1 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.737 0.458 17822 448 1 1 . 1 1 95 95 VAL H H 95 8.744 8.744 8.159 0.585 17822 449 1 1 . 1 1 96 96 TYR N N 96 123.577 123.577 123.699 -0.122 17822 450 1 1 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.659 -0.327 17822 451 1 1 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.863 0.714 17822 452 1 1 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.751 -1.131 17822 453 1 1 . 1 1 96 96 TYR H H 96 8.698 8.698 9.296 -0.598 17822 454 1 1 . 1 1 97 97 CYS N N 97 120.144 120.144 123.176 -3.032 17822 455 1 1 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.776 -0.228 17822 456 1 1 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.001 -0.424 17822 457 1 1 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.135 1.651 17822 458 1 1 . 1 1 97 97 CYS H H 97 8.796 8.796 8.268 0.528 17822 459 1 1 . 1 1 98 98 GLY N N 98 112.534 112.534 114.979 -2.445 17822 460 1 1 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.476 0.322 17822 461 1 1 . 1 1 98 98 GLY H H 98 8.776 8.776 8.288 0.488 17822 462 1 1 . 1 1 99 99 THR N N 99 119.083 119.083 116.399 2.684 17822 463 1 1 . 1 1 99 99 THR HA H 99 4.821 4.821 5.438 -0.617 17822 464 1 1 . 1 1 99 99 THR CA C 99 62.294 62.294 62.050 0.244 17822 465 1 1 . 1 1 99 99 THR CB C 99 69.781 69.781 70.692 -0.911 17822 466 1 1 . 1 1 99 99 THR H H 99 8.168 8.168 8.508 -0.340 17822 467 1 1 . 1 1 100 100 ILE N N 100 122.250 122.250 123.569 -1.319 17822 468 1 1 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.777 -0.200 17822 469 1 1 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.835 -0.252 17822 470 1 1 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.532 -0.023 17822 471 1 1 . 1 1 100 100 ILE H H 100 8.838 8.838 8.347 0.491 17822 472 1 1 . 1 1 101 101 VAL N N 101 120.622 120.622 124.444 -3.822 17822 473 1 1 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.815 -0.165 17822 474 1 1 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.490 1.100 17822 475 1 1 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.476 -1.587 17822 476 1 1 . 1 1 101 101 VAL H H 101 8.310 8.310 8.386 -0.076 17822 477 1 1 . 1 1 102 102 THR N N 102 118.661 118.661 121.698 -3.037 17822 478 1 1 . 1 1 102 102 THR HA H 102 4.658 4.658 4.559 0.099 17822 479 1 1 . 1 1 102 102 THR CA C 102 60.590 60.590 60.442 0.148 17822 480 1 1 . 1 1 102 102 THR CB C 102 71.189 71.189 70.564 0.626 17822 481 1 1 . 1 1 102 102 THR H H 102 8.867 8.867 8.174 0.693 17822 482 1 1 . 1 1 103 103 GLU N N 103 121.906 121.906 121.944 -0.038 17822 483 1 1 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.113 -0.195 17822 484 1 1 . 1 1 103 103 GLU CA C 103 58.927 58.927 59.126 -0.199 17822 485 1 1 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.634 -0.704 17822 486 1 1 . 1 1 103 103 GLU H H 103 9.243 9.243 8.789 0.454 17822 487 1 1 . 1 1 104 104 GLU N N 104 116.013 116.013 117.633 -1.620 17822 488 1 1 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.148 0.026 17822 489 1 1 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.211 0.022 17822 490 1 1 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.233 0.234 17822 491 1 1 . 1 1 104 104 GLU H H 104 7.716 7.716 7.803 -0.087 17822 492 1 1 . 1 1 105 105 GLY N N 105 109.001 109.001 107.667 1.334 17822 493 1 1 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.314 -0.609 17822 494 1 1 . 1 1 105 105 GLY H H 105 8.045 8.045 8.038 0.007 17822 495 1 1 . 1 1 106 106 LYS N N 106 119.559 119.559 119.249 0.310 17822 496 1 1 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.622 -0.291 17822 497 1 1 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.527 -0.072 17822 498 1 1 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.519 -0.097 17822 499 1 1 . 1 1 106 106 LYS H H 106 6.924 6.924 7.563 -0.639 17822 500 1 1 . 1 1 107 107 GLU N N 107 121.771 121.771 124.290 -2.519 17822 501 1 1 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.353 0.601 17822 502 1 1 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.349 -0.747 17822 503 1 1 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.734 0.551 17822 504 1 1 . 1 1 107 107 GLU H H 107 8.371 8.371 8.721 -0.350 17822 505 1 1 . 1 1 108 108 LYS N N 108 125.216 125.216 121.884 3.332 17822 506 1 1 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.471 -0.031 17822 507 1 1 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.274 -0.188 17822 508 1 1 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.804 1.111 17822 509 1 1 . 1 1 108 108 LYS H H 108 8.946 8.946 8.348 0.598 17822 510 1 1 . 1 1 109 109 LYS N N 109 125.136 125.136 128.505 -3.369 17822 511 1 1 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.429 0.207 17822 512 1 1 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.510 -0.736 17822 513 1 1 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.720 0.080 17822 514 1 1 . 1 1 109 109 LYS H H 109 8.548 8.548 8.608 -0.060 17822 515 1 1 . 1 1 110 110 VAL N N 110 125.626 125.626 127.990 -2.364 17822 516 1 1 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.068 0.008 17822 517 1 1 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.315 -0.750 17822 518 1 1 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.375 1.517 17822 519 1 1 . 1 1 110 110 VAL H H 110 8.850 8.850 9.062 -0.212 17822 520 1 1 . 1 1 111 111 ASN N N 111 126.837 126.837 126.857 -0.020 17822 521 1 1 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.380 -0.092 17822 522 1 1 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.494 0.815 17822 523 1 1 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.475 -0.006 17822 524 1 1 . 1 1 111 111 ASN H H 111 8.711 8.711 8.400 0.311 17822 525 1 1 . 1 1 112 112 ILE N N 112 125.729 125.729 124.048 1.681 17822 526 1 1 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.483 -0.099 17822 527 1 1 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.934 -0.746 17822 528 1 1 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.062 -0.210 17822 529 1 1 . 1 1 112 112 ILE H H 112 8.931 8.931 8.532 0.399 17822 530 1 1 . 1 1 113 113 ASP N N 113 122.734 122.734 123.738 -1.004 17822 531 1 1 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.912 -0.122 17822 532 1 1 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.527 -1.322 17822 533 1 1 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.353 0.168 17822 534 1 1 . 1 1 113 113 ASP H H 113 8.116 8.116 8.457 -0.341 17822 535 1 1 . 1 1 114 114 PHE N N 114 116.385 116.385 118.362 -1.977 17822 536 1 1 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.674 0.029 17822 537 1 1 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.445 0.017 17822 538 1 1 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.762 -1.055 17822 539 1 1 . 1 1 114 114 PHE H H 114 8.613 8.613 8.127 0.486 17822 540 1 1 . 1 1 115 115 GLU N N 115 124.642 124.642 120.619 4.023 17822 541 1 1 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.550 0.243 17822 542 1 1 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.292 -1.589 17822 543 1 1 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.647 1.478 17822 544 1 1 . 1 1 115 115 GLU H H 115 8.591 8.591 8.275 0.316 17822 545 1 1 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.206 0.377 17822 546 1 1 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.584 -0.233 17822 547 1 1 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.184 -1.222 17822 548 1 1 . 1 1 117 117 PHE N N 117 116.676 116.676 112.472 4.204 17822 549 1 1 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.647 -0.453 17822 550 1 1 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.013 0.626 17822 551 1 1 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.146 -1.394 17822 552 1 1 . 1 1 117 117 PHE H H 117 7.842 7.842 8.294 -0.452 17822 553 1 1 . 1 1 118 118 LYS N N 118 118.589 118.589 119.098 -0.509 17822 554 1 1 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.346 -0.163 17822 555 1 1 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.562 -0.228 17822 556 1 1 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.800 1.393 17822 557 1 1 . 1 1 118 118 LYS H H 118 6.889 6.889 7.039 -0.150 17822 558 1 1 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.488 0.035 17822 559 1 1 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.010 0.606 17822 560 1 1 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.448 -0.276 17822 561 1 1 . 1 1 120 120 ILE N N 120 121.968 121.968 121.951 0.017 17822 562 1 1 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.242 -0.336 17822 563 1 1 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.424 1.994 17822 564 1 1 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.426 0.379 17822 565 1 1 . 1 1 120 120 ILE H H 120 7.440 7.440 7.756 -0.316 17822 566 1 1 . 1 1 121 121 ASN N N 121 120.951 120.951 125.993 -5.042 17822 567 1 1 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.357 0.275 17822 568 1 1 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.708 -1.826 17822 569 1 1 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.576 0.722 17822 570 1 1 . 1 1 121 121 ASN H H 121 8.112 8.112 8.923 -0.811 17822 571 1 1 . 1 1 122 122 GLN N N 122 118.826 118.826 115.828 2.998 17822 572 1 1 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.451 -0.039 17822 573 1 1 . 1 1 122 122 GLN CA C 122 54.398 54.398 55.085 -0.687 17822 574 1 1 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.119 1.367 17822 575 1 1 . 1 1 122 122 GLN H H 122 7.009 7.009 7.694 -0.685 17822 576 1 1 . 1 1 123 123 PHE N N 123 122.795 122.795 118.034 4.761 17822 577 1 1 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.482 0.232 17822 578 1 1 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.623 -0.416 17822 579 1 1 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.859 0.859 17822 580 1 1 . 1 1 123 123 PHE H H 123 8.335 8.335 8.586 -0.251 17822 581 1 1 . 1 1 124 124 MET N N 124 126.990 126.990 126.591 0.399 17822 582 1 1 . 1 1 124 124 MET HA H 124 3.984 3.984 4.439 -0.455 17822 583 1 1 . 1 1 124 124 MET CA C 124 54.799 54.799 54.484 0.315 17822 584 1 1 . 1 1 124 124 MET CB C 124 37.330 37.330 36.434 0.896 17822 585 1 1 . 1 1 124 124 MET H H 124 7.992 7.992 8.445 -0.453 17822 586 1 1 . 1 1 125 125 TYR N N 125 122.216 122.216 125.218 -3.002 17822 587 1 1 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.529 0.375 17822 588 1 1 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.301 -0.552 17822 589 1 1 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.323 0.830 17822 590 1 1 . 1 1 125 125 TYR H H 125 7.552 7.552 8.116 -0.564 17822 591 1 1 . 1 1 126 126 PHE N N 126 124.584 124.584 118.804 5.780 17822 592 1 1 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.733 -0.658 17822 593 1 1 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.812 0.593 17822 594 1 1 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.731 3.688 17822 595 1 1 . 1 1 126 126 PHE H H 126 8.271 8.271 6.678 1.593 17822 596 1 1 . 1 1 127 127 CYS N N 127 124.011 124.011 120.563 3.448 17822 597 1 1 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.517 0.279 17822 598 1 1 . 1 1 127 127 CYS CA C 127 57.840 57.840 58.201 -0.361 17822 599 1 1 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.834 -4.903 17822 600 1 1 . 1 1 127 127 CYS H H 127 8.442 8.442 8.887 -0.445 17822 601 1 1 . 1 1 128 128 ASP N N 128 127.486 127.486 121.668 5.818 17822 602 1 1 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.568 0.438 17822 603 1 1 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.843 -2.337 17822 604 1 1 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.119 2.277 17822 605 1 1 . 1 1 128 128 ASP H H 128 8.907 8.907 8.479 0.428 17822 606 1 1 . 1 1 129 129 ASN N N 129 119.092 119.092 118.493 0.599 17822 607 1 1 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.341 0.323 17822 608 1 1 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.165 -1.430 17822 609 1 1 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.666 0.236 17822 610 1 1 . 1 1 129 129 ASN H H 129 9.136 9.136 8.559 0.577 17822 611 1 1 . 1 1 130 130 LYS N N 130 114.367 114.367 114.169 0.198 17822 612 1 1 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.398 -0.235 17822 613 1 1 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.415 -1.189 17822 614 1 1 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.097 -0.005 17822 615 1 1 . 1 1 130 130 LYS H H 130 7.115 7.115 7.079 0.036 17822 616 1 1 . 1 1 131 131 PHE N N 131 121.117 121.117 121.036 0.081 17822 617 1 1 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.592 -0.077 17822 618 1 1 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.726 -1.576 17822 619 1 1 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.033 -0.944 17822 620 1 1 . 1 1 131 131 PHE H H 131 9.291 9.291 8.794 0.497 17822 621 1 1 . 1 1 132 132 HIS N N 132 121.897 121.897 125.299 -3.402 17822 622 1 1 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.854 -0.470 17822 623 1 1 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.743 0.260 17822 624 1 1 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.536 -2.193 17822 625 1 1 . 1 1 132 132 HIS H H 132 9.026 9.026 8.419 0.607 17822 626 1 1 . 1 1 133 133 THR N N 133 117.915 117.915 118.037 -0.122 17822 627 1 1 . 1 1 133 133 THR HA H 133 4.612 4.612 4.770 -0.158 17822 628 1 1 . 1 1 133 133 THR CA C 133 61.679 61.679 61.571 0.108 17822 629 1 1 . 1 1 133 133 THR CB C 133 73.856 73.856 70.878 2.978 17822 630 1 1 . 1 1 133 133 THR H H 133 8.700 8.700 8.422 0.278 17822 631 1 1 . 1 1 134 134 GLU N N 134 129.072 129.072 127.354 1.718 17822 632 1 1 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.195 -0.216 17822 633 1 1 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.070 1.463 17822 634 1 1 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.981 -2.478 17822 635 1 1 . 1 1 134 134 GLU H H 134 10.805 10.805 8.568 2.237 17822 636 1 1 . 1 1 135 135 ALA N N 135 122.099 122.099 121.680 0.419 17822 637 1 1 . 1 1 135 135 ALA HA H 135 4.071 4.071 3.972 0.099 17822 638 1 1 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.124 -0.611 17822 639 1 1 . 1 1 135 135 ALA CB C 135 18.761 18.761 18.058 0.702 17822 640 1 1 . 1 1 135 135 ALA H H 135 8.590 8.590 8.708 -0.118 17822 641 1 1 . 1 1 136 136 LEU N N 136 116.720 116.720 117.425 -0.705 17822 642 1 1 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.177 -0.123 17822 643 1 1 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.636 -1.059 17822 644 1 1 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.686 -0.375 17822 645 1 1 . 1 1 136 136 LEU H H 136 7.471 7.471 7.653 -0.182 17822 646 1 1 . 1 1 137 137 THR N N 137 117.177 117.177 113.889 3.288 17822 647 1 1 . 1 1 137 137 THR HA H 137 4.005 4.005 4.070 -0.065 17822 648 1 1 . 1 1 137 137 THR CA C 137 66.610 66.610 65.272 1.338 17822 649 1 1 . 1 1 137 137 THR CB C 137 67.980 67.980 68.798 -0.818 17822 650 1 1 . 1 1 137 137 THR H H 137 8.044 8.044 7.638 0.406 17822 651 1 1 . 1 1 138 138 ALA N N 138 124.719 124.719 123.373 1.346 17822 652 1 1 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.346 -0.345 17822 653 1 1 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.279 0.635 17822 654 1 1 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.711 -1.214 17822 655 1 1 . 1 1 138 138 ALA H H 138 7.695 7.695 8.260 -0.565 17822 656 1 1 . 1 1 139 139 LEU N N 139 120.059 120.059 120.890 -0.831 17822 657 1 1 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.008 -0.009 17822 658 1 1 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.162 -0.668 17822 659 1 1 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.950 0.862 17822 660 1 1 . 1 1 139 139 LEU H H 139 7.345 7.345 7.653 -0.308 17822 661 1 1 . 1 1 140 140 LEU N N 140 117.771 117.771 118.677 -0.906 17822 662 1 1 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.104 -0.147 17822 663 1 1 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.317 -1.339 17822 664 1 1 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.845 0.394 17822 665 1 1 . 1 1 140 140 LEU H H 140 7.748 7.748 7.832 -0.084 17822 666 1 1 . 1 1 141 141 SER N N 141 114.778 114.778 112.715 2.063 17822 667 1 1 . 1 1 141 141 SER HA H 141 4.107 4.107 4.218 -0.111 17822 668 1 1 . 1 1 141 141 SER CA C 141 60.647 60.647 60.568 0.079 17822 669 1 1 . 1 1 141 141 SER CB C 141 62.650 62.650 63.055 -0.405 17822 670 1 1 . 1 1 141 141 SER H H 141 7.807 7.807 7.409 0.398 17822 671 1 1 . 1 1 142 142 ASP N N 142 121.827 121.827 122.270 -0.443 17822 672 1 1 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.490 -0.132 17822 673 1 1 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.501 -0.440 17822 674 1 1 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.061 -0.452 17822 675 1 1 . 1 1 142 142 ASP H H 142 7.878 7.878 8.188 -0.310 17822 676 1 1 . 1 1 143 143 LEU N N 143 120.220 120.220 119.561 0.659 17822 677 1 1 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.085 -0.113 17822 678 1 1 . 1 1 143 143 LEU CA C 143 56.462 56.462 57.195 -0.733 17822 679 1 1 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.555 -0.341 17822 680 1 1 . 1 1 143 143 LEU H H 143 7.846 7.846 8.294 -0.448 17822 681 1 2 . 1 1 2 2 ALA N N 2 125.964 125.964 124.073 1.891 17822 682 1 2 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.681 -0.069 17822 683 1 2 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.892 0.400 17822 684 1 2 . 1 1 2 2 ALA H H 2 8.065 8.065 8.195 -0.130 17822 685 1 2 . 1 1 3 3 ASP N N 3 119.188 119.188 121.179 -1.991 17822 686 1 2 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.594 0.016 17822 687 1 2 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.650 -0.768 17822 688 1 2 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.320 -0.510 17822 689 1 2 . 1 1 3 3 ASP H H 3 8.203 8.203 8.869 -0.666 17822 690 1 2 . 1 1 4 4 ASP N N 4 121.607 121.607 117.418 4.189 17822 691 1 2 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.918 -0.545 17822 692 1 2 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.015 -0.254 17822 693 1 2 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.404 -1.494 17822 694 1 2 . 1 1 4 4 ASP H H 4 7.954 7.954 8.030 -0.076 17822 695 1 2 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.429 -0.177 17822 696 1 2 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.558 -1.190 17822 697 1 2 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.309 -0.450 17822 698 1 2 . 1 1 6 6 SER N N 6 115.864 115.864 115.725 0.139 17822 699 1 2 . 1 1 6 6 SER HA H 6 4.252 4.252 4.241 0.011 17822 700 1 2 . 1 1 6 6 SER CA C 6 58.870 58.870 60.770 -1.900 17822 701 1 2 . 1 1 6 6 SER CB C 6 63.368 63.368 62.836 0.532 17822 702 1 2 . 1 1 6 6 SER H H 6 8.310 8.310 8.519 -0.209 17822 703 1 2 . 1 1 7 7 ALA N N 7 125.955 125.955 123.404 2.551 17822 704 1 2 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.115 -0.116 17822 705 1 2 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.251 -0.942 17822 706 1 2 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.055 0.496 17822 707 1 2 . 1 1 7 7 ALA H H 7 7.854 7.854 7.499 0.355 17822 708 1 2 . 1 1 8 8 ALA N N 8 122.354 122.354 120.984 1.370 17822 709 1 2 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.996 -0.199 17822 710 1 2 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.097 -1.502 17822 711 1 2 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.431 0.021 17822 712 1 2 . 1 1 8 8 ALA H H 8 7.910 7.910 8.137 -0.227 17822 713 1 2 . 1 1 9 9 ASP N N 9 119.431 119.431 118.044 1.387 17822 714 1 2 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.396 -0.077 17822 715 1 2 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.965 -2.822 17822 716 1 2 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.602 0.021 17822 717 1 2 . 1 1 9 9 ASP H H 9 7.970 7.970 8.050 -0.080 17822 718 1 2 . 1 1 10 10 ARG N N 10 122.263 122.263 120.696 1.567 17822 719 1 2 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.229 -0.393 17822 720 1 2 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.232 -1.451 17822 721 1 2 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.315 -0.434 17822 722 1 2 . 1 1 10 10 ARG H H 10 8.036 8.036 7.874 0.162 17822 723 1 2 . 1 1 11 11 ASN N N 11 118.325 118.325 116.968 1.357 17822 724 1 2 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.462 -0.159 17822 725 1 2 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.923 -0.780 17822 726 1 2 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.377 -0.575 17822 727 1 2 . 1 1 11 11 ASN H H 11 8.077 8.077 7.762 0.315 17822 728 1 2 . 1 1 12 12 VAL N N 12 122.103 122.103 121.274 0.829 17822 729 1 2 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.688 0.927 17822 730 1 2 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.649 -0.028 17822 731 1 2 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.184 0.302 17822 732 1 2 . 1 1 12 12 VAL H H 12 7.741 7.741 7.644 0.097 17822 733 1 2 . 1 1 13 13 GLU N N 13 120.785 120.785 119.978 0.807 17822 734 1 2 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.867 -0.633 17822 735 1 2 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.372 5.689 17822 736 1 2 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.851 0.917 17822 737 1 2 . 1 1 13 13 GLU H H 13 7.751 7.751 7.973 -0.222 17822 738 1 2 . 1 1 14 14 ILE N N 14 120.199 120.199 120.240 -0.041 17822 739 1 2 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.543 0.245 17822 740 1 2 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.562 -5.380 17822 741 1 2 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.340 -1.346 17822 742 1 2 . 1 1 14 14 ILE H H 14 7.650 7.650 7.154 0.496 17822 743 1 2 . 1 1 15 15 TRP N N 15 120.828 120.828 117.613 3.215 17822 744 1 2 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.618 -0.565 17822 745 1 2 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.589 3.002 17822 746 1 2 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.686 -0.242 17822 747 1 2 . 1 1 15 15 TRP H H 15 7.759 7.759 7.139 0.620 17822 748 1 2 . 1 1 16 16 LYS N N 16 119.063 119.063 122.231 -3.168 17822 749 1 2 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.152 -0.662 17822 750 1 2 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.153 1.816 17822 751 1 2 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.006 0.172 17822 752 1 2 . 1 1 16 16 LYS H H 16 7.963 7.963 7.726 0.237 17822 753 1 2 . 1 1 17 17 ILE N N 17 120.609 120.609 119.477 1.132 17822 754 1 2 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.841 -0.230 17822 755 1 2 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.362 -0.906 17822 756 1 2 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.486 -1.188 17822 757 1 2 . 1 1 17 17 ILE H H 17 7.630 7.630 8.466 -0.836 17822 758 1 2 . 1 1 18 18 LYS N N 18 121.687 121.687 119.028 2.659 17822 759 1 2 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.014 -0.431 17822 760 1 2 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.516 1.414 17822 761 1 2 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.546 0.536 17822 762 1 2 . 1 1 18 18 LYS H H 18 8.297 8.297 7.807 0.490 17822 763 1 2 . 1 1 19 19 LYS N N 19 119.253 119.253 118.490 0.763 17822 764 1 2 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.158 -0.541 17822 765 1 2 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.572 0.413 17822 766 1 2 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.384 -0.525 17822 767 1 2 . 1 1 19 19 LYS H H 19 7.685 7.685 7.699 -0.014 17822 768 1 2 . 1 1 20 20 LEU N N 20 123.001 123.001 121.984 1.017 17822 769 1 2 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.079 -0.254 17822 770 1 2 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.793 -0.012 17822 771 1 2 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.771 -0.360 17822 772 1 2 . 1 1 20 20 LEU H H 20 7.509 7.509 7.344 0.165 17822 773 1 2 . 1 1 21 21 ILE N N 21 119.392 119.392 119.283 0.109 17822 774 1 2 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.767 -0.697 17822 775 1 2 . 1 1 21 21 ILE CA C 21 66.495 66.495 62.887 3.608 17822 776 1 2 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.076 1.127 17822 777 1 2 . 1 1 21 21 ILE H H 21 8.474 8.474 8.287 0.187 17822 778 1 2 . 1 1 22 22 LYS N N 22 117.524 117.524 119.266 -1.742 17822 779 1 2 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.059 -0.253 17822 780 1 2 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.248 -0.435 17822 781 1 2 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.264 -0.377 17822 782 1 2 . 1 1 22 22 LYS H H 22 7.300 7.300 7.597 -0.297 17822 783 1 2 . 1 1 23 23 SER N N 23 114.880 114.880 114.464 0.416 17822 784 1 2 . 1 1 23 23 SER HA H 23 4.008 4.008 4.299 -0.291 17822 785 1 2 . 1 1 23 23 SER CA C 23 61.106 61.106 61.220 -0.114 17822 786 1 2 . 1 1 23 23 SER CB C 23 62.587 62.587 63.675 -1.088 17822 787 1 2 . 1 1 23 23 SER H H 23 7.653 7.653 7.476 0.177 17822 788 1 2 . 1 1 24 24 LEU N N 24 121.607 121.607 122.008 -0.401 17822 789 1 2 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.425 0.447 17822 790 1 2 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.917 -1.054 17822 791 1 2 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.290 -0.001 17822 792 1 2 . 1 1 24 24 LEU H H 24 8.158 8.158 7.859 0.299 17822 793 1 2 . 1 1 25 25 GLU N N 25 119.392 119.392 117.588 1.804 17822 794 1 2 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.155 -0.274 17822 795 1 2 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.665 -0.082 17822 796 1 2 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.368 -0.188 17822 797 1 2 . 1 1 25 25 GLU H H 25 8.344 8.344 7.779 0.565 17822 798 1 2 . 1 1 26 26 ALA N N 26 119.228 119.228 119.556 -0.328 17822 799 1 2 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.395 -0.278 17822 800 1 2 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.668 0.322 17822 801 1 2 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.377 -0.424 17822 802 1 2 . 1 1 26 26 ALA H H 26 7.154 7.154 7.450 -0.296 17822 803 1 2 . 1 1 27 27 ALA N N 27 121.417 121.417 123.440 -2.023 17822 804 1 2 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.285 -0.215 17822 805 1 2 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.159 -0.691 17822 806 1 2 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.324 -0.021 17822 807 1 2 . 1 1 27 27 ALA H H 27 6.833 6.833 7.492 -0.659 17822 808 1 2 . 1 1 28 28 ARG N N 28 123.986 123.986 121.583 2.403 17822 809 1 2 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.498 -0.002 17822 810 1 2 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.159 -0.990 17822 811 1 2 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.809 0.152 17822 812 1 2 . 1 1 28 28 ARG H H 28 8.679 8.679 8.131 0.548 17822 813 1 2 . 1 1 29 29 GLY N N 29 109.466 109.466 108.457 1.009 17822 814 1 2 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.971 -0.582 17822 815 1 2 . 1 1 29 29 GLY H H 29 8.091 8.091 8.230 -0.139 17822 816 1 2 . 1 1 30 30 ASN N N 30 120.048 120.048 117.065 2.983 17822 817 1 2 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.599 0.056 17822 818 1 2 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.101 -1.472 17822 819 1 2 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.118 -1.316 17822 820 1 2 . 1 1 30 30 ASN H H 30 8.419 8.419 8.624 -0.205 17822 821 1 2 . 1 1 31 31 GLY N N 31 110.450 110.450 105.931 4.519 17822 822 1 2 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.451 -0.765 17822 823 1 2 . 1 1 31 31 GLY H H 31 8.071 8.071 8.584 -0.513 17822 824 1 2 . 1 1 32 32 THR N N 32 112.929 112.929 117.636 -4.707 17822 825 1 2 . 1 1 32 32 THR HA H 32 4.993 4.993 4.537 0.456 17822 826 1 2 . 1 1 32 32 THR CA C 32 59.598 59.598 60.531 -0.933 17822 827 1 2 . 1 1 32 32 THR H H 32 7.747 7.747 7.697 0.050 17822 828 1 2 . 1 1 33 33 SER N N 33 115.208 115.208 115.344 -0.136 17822 829 1 2 . 1 1 33 33 SER HA H 33 4.335 4.335 4.749 -0.414 17822 830 1 2 . 1 1 33 33 SER CA C 33 58.067 58.067 57.347 0.720 17822 831 1 2 . 1 1 33 33 SER CB C 33 64.572 64.572 64.800 -0.228 17822 832 1 2 . 1 1 33 33 SER H H 33 7.701 7.701 8.669 -0.968 17822 833 1 2 . 1 1 34 34 MET N N 34 120.869 120.869 120.045 0.824 17822 834 1 2 . 1 1 34 34 MET HA H 34 4.666 4.666 4.990 -0.324 17822 835 1 2 . 1 1 34 34 MET CA C 34 54.799 54.799 53.065 1.734 17822 836 1 2 . 1 1 34 34 MET CB C 34 34.700 34.700 34.161 0.539 17822 837 1 2 . 1 1 34 34 MET H H 34 8.679 8.679 8.302 0.377 17822 838 1 2 . 1 1 35 35 ILE N N 35 126.806 126.806 120.813 5.993 17822 839 1 2 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.141 2.029 17822 840 1 2 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.870 0.032 17822 841 1 2 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.121 -1.448 17822 842 1 2 . 1 1 35 35 ILE H H 35 9.562 9.562 8.256 1.306 17822 843 1 2 . 1 1 36 36 SER N N 36 122.217 122.217 122.737 -0.520 17822 844 1 2 . 1 1 36 36 SER HA H 36 4.968 4.968 5.062 -0.094 17822 845 1 2 . 1 1 36 36 SER CA C 36 56.602 56.602 57.173 -0.571 17822 846 1 2 . 1 1 36 36 SER CB C 36 64.572 64.572 64.428 0.144 17822 847 1 2 . 1 1 36 36 SER H H 36 8.422 8.422 8.058 0.364 17822 848 1 2 . 1 1 37 37 LEU N N 37 128.938 128.938 124.133 4.805 17822 849 1 2 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.882 0.099 17822 850 1 2 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.902 0.579 17822 851 1 2 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.688 -0.312 17822 852 1 2 . 1 1 37 37 LEU H H 37 8.916 8.916 7.667 1.249 17822 853 1 2 . 1 1 38 38 ILE N N 38 128.296 128.296 115.438 12.858 17822 854 1 2 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.966 0.006 17822 855 1 2 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.752 0.093 17822 856 1 2 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.079 -2.074 17822 857 1 2 . 1 1 38 38 ILE H H 38 8.740 8.740 8.521 0.219 17822 858 1 2 . 1 1 39 39 ILE N N 39 125.429 125.429 124.002 1.427 17822 859 1 2 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.644 -0.245 17822 860 1 2 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.505 -0.783 17822 861 1 2 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.482 2.179 17822 862 1 2 . 1 1 39 39 ILE H H 39 8.960 8.960 8.089 0.871 17822 863 1 2 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.799 -0.392 17822 864 1 2 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.557 5.625 17822 865 1 2 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.098 0.274 17822 866 1 2 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.537 -0.716 17822 867 1 2 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.688 3.127 17822 868 1 2 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.911 0.266 17822 869 1 2 . 1 1 42 42 LYS N N 42 113.683 113.683 116.194 -2.511 17822 870 1 2 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.389 -0.433 17822 871 1 2 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.899 0.907 17822 872 1 2 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.087 -1.905 17822 873 1 2 . 1 1 42 42 LYS H H 42 8.004 8.004 8.279 -0.275 17822 874 1 2 . 1 1 43 43 ASP N N 43 121.628 121.628 118.864 2.764 17822 875 1 2 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.756 -0.321 17822 876 1 2 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.727 -0.221 17822 877 1 2 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.519 -1.304 17822 878 1 2 . 1 1 43 43 ASP H H 43 7.290 7.290 7.518 -0.228 17822 879 1 2 . 1 1 44 44 GLN N N 44 117.587 117.587 118.813 -1.226 17822 880 1 2 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.597 -0.060 17822 881 1 2 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.474 -0.535 17822 882 1 2 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.921 -0.376 17822 883 1 2 . 1 1 44 44 GLN H H 44 9.610 9.610 8.425 1.185 17822 884 1 2 . 1 1 45 45 ILE N N 45 126.939 126.939 124.271 2.668 17822 885 1 2 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.693 -0.392 17822 886 1 2 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.421 -1.137 17822 887 1 2 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.476 -1.843 17822 888 1 2 . 1 1 45 45 ILE H H 45 8.806 8.806 8.905 -0.099 17822 889 1 2 . 1 1 46 46 SER N N 46 113.239 113.239 114.683 -1.444 17822 890 1 2 . 1 1 46 46 SER HA H 46 3.931 3.931 4.201 -0.270 17822 891 1 2 . 1 1 46 46 SER CA C 46 60.762 60.762 61.339 -0.577 17822 892 1 2 . 1 1 46 46 SER CB C 46 61.464 61.464 62.703 -1.239 17822 893 1 2 . 1 1 46 46 SER H H 46 8.476 8.476 8.335 0.141 17822 894 1 2 . 1 1 47 47 ARG N N 47 124.530 124.530 122.754 1.776 17822 895 1 2 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.008 -0.217 17822 896 1 2 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.905 0.022 17822 897 1 2 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.560 1.023 17822 898 1 2 . 1 1 47 47 ARG H H 47 6.731 6.731 7.634 -0.903 17822 899 1 2 . 1 1 48 48 VAL N N 48 121.935 121.935 119.066 2.869 17822 900 1 2 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.625 -0.478 17822 901 1 2 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.823 -0.615 17822 902 1 2 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.798 -0.330 17822 903 1 2 . 1 1 48 48 VAL H H 48 7.257 7.257 7.621 -0.364 17822 904 1 2 . 1 1 49 49 ALA N N 49 122.345 122.345 119.705 2.640 17822 905 1 2 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.029 -0.147 17822 906 1 2 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.904 0.239 17822 907 1 2 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.235 -0.585 17822 908 1 2 . 1 1 49 49 ALA H H 49 8.864 8.864 7.733 1.131 17822 909 1 2 . 1 1 50 50 LYS N N 50 120.376 120.376 119.915 0.461 17822 910 1 2 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.162 -0.259 17822 911 1 2 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.709 0.218 17822 912 1 2 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.423 -0.837 17822 913 1 2 . 1 1 50 50 LYS H H 50 7.380 7.380 7.840 -0.460 17822 914 1 2 . 1 1 51 51 MET N N 51 121.641 121.641 117.937 3.704 17822 915 1 2 . 1 1 51 51 MET HA H 51 3.935 3.935 4.171 -0.236 17822 916 1 2 . 1 1 51 51 MET CA C 51 58.927 58.927 58.680 0.247 17822 917 1 2 . 1 1 51 51 MET CB C 51 30.734 30.734 32.094 -1.360 17822 918 1 2 . 1 1 51 51 MET H H 51 7.508 7.508 8.016 -0.508 17822 919 1 2 . 1 1 52 52 LEU N N 52 120.125 120.125 120.009 0.116 17822 920 1 2 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.260 -0.603 17822 921 1 2 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.070 0.367 17822 922 1 2 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.644 -0.090 17822 923 1 2 . 1 1 52 52 LEU H H 52 8.203 8.203 7.828 0.375 17822 924 1 2 . 1 1 53 53 ALA N N 53 123.639 123.639 122.302 1.337 17822 925 1 2 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.866 0.079 17822 926 1 2 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.402 -0.603 17822 927 1 2 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.644 -0.395 17822 928 1 2 . 1 1 53 53 ALA H H 53 7.775 7.775 7.491 0.284 17822 929 1 2 . 1 1 54 54 ASP N N 54 123.165 123.165 118.183 4.982 17822 930 1 2 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.410 -0.081 17822 931 1 2 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.581 -0.374 17822 932 1 2 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.944 -1.839 17822 933 1 2 . 1 1 54 54 ASP H H 54 8.156 8.156 7.686 0.470 17822 934 1 2 . 1 1 55 55 GLU N N 55 122.017 122.017 119.183 2.834 17822 935 1 2 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.050 -0.174 17822 936 1 2 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.897 -0.314 17822 937 1 2 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.387 -0.368 17822 938 1 2 . 1 1 55 55 GLU H H 55 8.221 8.221 7.637 0.584 17822 939 1 2 . 1 1 56 56 PHE N N 56 123.334 123.334 121.594 1.740 17822 940 1 2 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.206 0.475 17822 941 1 2 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.449 0.066 17822 942 1 2 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.868 0.344 17822 943 1 2 . 1 1 56 56 PHE H H 56 8.711 8.711 8.338 0.373 17822 944 1 2 . 1 1 57 57 GLY N N 57 107.156 107.156 105.315 1.841 17822 945 1 2 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.425 0.058 17822 946 1 2 . 1 1 57 57 GLY H H 57 7.985 7.985 8.048 -0.063 17822 947 1 2 . 1 1 58 58 THR N N 58 118.940 118.940 117.524 1.416 17822 948 1 2 . 1 1 58 58 THR HA H 58 4.062 4.062 4.165 -0.103 17822 949 1 2 . 1 1 58 58 THR CA C 58 65.406 65.406 65.670 -0.264 17822 950 1 2 . 1 1 58 58 THR CB C 58 68.408 68.408 69.005 -0.597 17822 951 1 2 . 1 1 58 58 THR H H 58 7.992 7.992 7.703 0.289 17822 952 1 2 . 1 1 59 59 ALA N N 59 126.365 126.365 124.041 2.324 17822 953 1 2 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.235 -0.307 17822 954 1 2 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.443 -0.504 17822 955 1 2 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.908 0.243 17822 956 1 2 . 1 1 59 59 ALA H H 59 8.351 8.351 7.722 0.629 17822 957 1 2 . 1 1 60 60 SER N N 60 112.435 112.435 112.638 -0.203 17822 958 1 2 . 1 1 60 60 SER HA H 60 4.632 4.632 4.121 0.511 17822 959 1 2 . 1 1 60 60 SER CA C 60 61.220 61.220 59.381 1.839 17822 960 1 2 . 1 1 60 60 SER CB C 60 62.686 62.686 62.821 -0.135 17822 961 1 2 . 1 1 60 60 SER H H 60 7.459 7.459 7.635 -0.176 17822 962 1 2 . 1 1 61 61 ASN N N 61 116.971 116.971 118.527 -1.556 17822 963 1 2 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.607 -0.094 17822 964 1 2 . 1 1 61 61 ASN CA C 61 53.022 53.022 54.066 -1.044 17822 965 1 2 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.129 -0.124 17822 966 1 2 . 1 1 61 61 ASN H H 61 7.372 7.372 7.472 -0.100 17822 967 1 2 . 1 1 62 62 ILE N N 62 123.980 123.980 121.617 2.363 17822 968 1 2 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.851 -0.215 17822 969 1 2 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.384 1.044 17822 970 1 2 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.892 -0.461 17822 971 1 2 . 1 1 62 62 ILE H H 62 7.461 7.461 7.273 0.188 17822 972 1 2 . 1 1 63 63 LYS N N 63 128.982 128.982 125.777 3.205 17822 973 1 2 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.117 -0.320 17822 974 1 2 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.888 0.810 17822 975 1 2 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.618 0.088 17822 976 1 2 . 1 1 63 63 LYS H H 63 8.417 8.417 8.387 0.030 17822 977 1 2 . 1 1 64 64 SER N N 64 114.306 114.306 118.319 -4.013 17822 978 1 2 . 1 1 64 64 SER HA H 64 4.616 4.616 4.520 0.096 17822 979 1 2 . 1 1 64 64 SER CA C 64 56.749 56.749 57.143 -0.394 17822 980 1 2 . 1 1 64 64 SER CB C 64 62.962 62.962 63.372 -0.410 17822 981 1 2 . 1 1 64 64 SER H H 64 7.599 7.599 8.129 -0.530 17822 982 1 2 . 1 1 65 65 ARG N N 65 132.125 132.125 128.095 4.030 17822 983 1 2 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.943 0.363 17822 984 1 2 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.516 0.386 17822 985 1 2 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.591 3.507 17822 986 1 2 . 1 1 65 65 ARG H H 65 8.689 8.689 8.800 -0.111 17822 987 1 2 . 1 1 66 66 VAL N N 66 116.947 116.947 118.985 -2.038 17822 988 1 2 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.637 -0.086 17822 989 1 2 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.324 -0.861 17822 990 1 2 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.701 0.885 17822 991 1 2 . 1 1 66 66 VAL H H 66 7.946 7.946 8.361 -0.415 17822 992 1 2 . 1 1 67 67 ASN N N 67 119.499 119.499 117.329 2.170 17822 993 1 2 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.353 0.059 17822 994 1 2 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.118 -0.745 17822 995 1 2 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.214 -0.178 17822 996 1 2 . 1 1 67 67 ASN H H 67 7.386 7.386 7.768 -0.382 17822 997 1 2 . 1 1 68 68 ARG N N 68 122.132 122.132 121.614 0.518 17822 998 1 2 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.904 -0.310 17822 999 1 2 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.346 0.452 17822 1000 1 2 . 1 1 68 68 ARG CB C 68 30.559 30.559 29.995 0.564 17822 1001 1 2 . 1 1 68 68 ARG H H 68 8.566 8.566 7.659 0.907 17822 1002 1 2 . 1 1 69 69 LEU N N 69 116.564 116.564 118.866 -2.302 17822 1003 1 2 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.093 -0.310 17822 1004 1 2 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.938 -0.043 17822 1005 1 2 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.638 -0.028 17822 1006 1 2 . 1 1 69 69 LEU H H 69 8.167 8.167 8.579 -0.412 17822 1007 1 2 . 1 1 70 70 SER N N 70 116.805 116.805 113.125 3.680 17822 1008 1 2 . 1 1 70 70 SER HA H 70 4.132 4.132 4.269 -0.137 17822 1009 1 2 . 1 1 70 70 SER CA C 70 61.450 61.450 61.186 0.264 17822 1010 1 2 . 1 1 70 70 SER CB C 70 62.635 62.635 62.964 -0.329 17822 1011 1 2 . 1 1 70 70 SER H H 70 7.589 7.589 7.545 0.044 17822 1012 1 2 . 1 1 71 71 VAL N N 71 124.991 124.991 121.663 3.328 17822 1013 1 2 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.968 -0.485 17822 1014 1 2 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.332 1.507 17822 1015 1 2 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.852 -0.203 17822 1016 1 2 . 1 1 71 71 VAL H H 71 7.934 7.934 8.135 -0.201 17822 1017 1 2 . 1 1 72 72 LEU N N 72 118.680 118.680 120.280 -1.600 17822 1018 1 2 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.018 -0.297 17822 1019 1 2 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.326 -0.087 17822 1020 1 2 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.451 -0.153 17822 1021 1 2 . 1 1 72 72 LEU H H 72 8.354 8.354 8.934 -0.580 17822 1022 1 2 . 1 1 73 73 GLY N N 73 106.674 106.674 105.517 1.157 17822 1023 1 2 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.817 0.128 17822 1024 1 2 . 1 1 73 73 GLY H H 73 8.052 8.052 8.168 -0.116 17822 1025 1 2 . 1 1 74 74 ALA N N 74 127.313 127.313 125.182 2.131 17822 1026 1 2 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.178 -0.025 17822 1027 1 2 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.072 1.301 17822 1028 1 2 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.549 -0.743 17822 1029 1 2 . 1 1 74 74 ALA H H 74 7.784 7.784 7.429 0.355 17822 1030 1 2 . 1 1 75 75 ILE N N 75 119.310 119.310 118.936 0.374 17822 1031 1 2 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.664 -0.302 17822 1032 1 2 . 1 1 75 75 ILE CA C 75 66.610 66.610 66.031 0.579 17822 1033 1 2 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.261 0.163 17822 1034 1 2 . 1 1 75 75 ILE H H 75 8.638 8.638 8.777 -0.139 17822 1035 1 2 . 1 1 76 76 THR N N 76 116.205 116.205 112.226 3.979 17822 1036 1 2 . 1 1 76 76 THR HA H 76 4.227 4.227 3.946 0.281 17822 1037 1 2 . 1 1 76 76 THR CA C 76 66.782 66.782 66.645 0.137 17822 1038 1 2 . 1 1 76 76 THR CB C 76 68.478 68.478 68.415 0.063 17822 1039 1 2 . 1 1 76 76 THR H H 76 8.317 8.317 7.940 0.377 17822 1040 1 2 . 1 1 77 77 SER N N 77 118.405 118.405 118.110 0.295 17822 1041 1 2 . 1 1 77 77 SER HA H 77 4.173 4.173 4.214 -0.041 17822 1042 1 2 . 1 1 77 77 SER CA C 77 62.482 62.482 62.066 0.416 17822 1043 1 2 . 1 1 77 77 SER CB C 77 63.484 63.484 63.181 0.303 17822 1044 1 2 . 1 1 77 77 SER H H 77 7.843 7.843 7.583 0.260 17822 1045 1 2 . 1 1 78 78 VAL N N 78 124.171 124.171 121.880 2.291 17822 1046 1 2 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.778 -0.205 17822 1047 1 2 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.052 0.672 17822 1048 1 2 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.853 -0.869 17822 1049 1 2 . 1 1 78 78 VAL H H 78 8.153 8.153 7.918 0.235 17822 1050 1 2 . 1 1 79 79 GLN N N 79 120.008 120.008 118.969 1.039 17822 1051 1 2 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.871 0.058 17822 1052 1 2 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.778 -0.391 17822 1053 1 2 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.507 0.272 17822 1054 1 2 . 1 1 79 79 GLN H H 79 8.688 8.688 8.651 0.037 17822 1055 1 2 . 1 1 80 80 GLN N N 80 116.870 116.870 117.002 -0.132 17822 1056 1 2 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.110 -0.335 17822 1057 1 2 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.531 -0.005 17822 1058 1 2 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.576 -0.599 17822 1059 1 2 . 1 1 80 80 GLN H H 80 7.850 7.850 7.782 0.068 17822 1060 1 2 . 1 1 81 81 ARG N N 81 119.074 119.074 119.953 -0.879 17822 1061 1 2 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.142 -0.150 17822 1062 1 2 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.805 -2.171 17822 1063 1 2 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.455 -2.133 17822 1064 1 2 . 1 1 81 81 ARG H H 81 7.520 7.520 7.748 -0.228 17822 1065 1 2 . 1 1 82 82 LEU N N 82 117.238 117.238 119.093 -1.855 17822 1066 1 2 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.273 -0.382 17822 1067 1 2 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.106 -0.669 17822 1068 1 2 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.368 -0.558 17822 1069 1 2 . 1 1 82 82 LEU H H 82 8.189 8.189 8.193 -0.004 17822 1070 1 2 . 1 1 83 83 LYS N N 83 114.899 114.899 118.514 -3.615 17822 1071 1 2 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.125 -0.180 17822 1072 1 2 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.077 -1.411 17822 1073 1 2 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.975 0.012 17822 1074 1 2 . 1 1 83 83 LYS H H 83 7.064 7.064 7.633 -0.569 17822 1075 1 2 . 1 1 84 84 LEU N N 84 117.840 117.840 119.680 -1.840 17822 1076 1 2 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.062 -0.189 17822 1077 1 2 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.924 -1.609 17822 1078 1 2 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.703 -0.774 17822 1079 1 2 . 1 1 84 84 LEU H H 84 7.271 7.271 7.452 -0.181 17822 1080 1 2 . 1 1 85 85 TYR N N 85 119.720 119.720 117.354 2.366 17822 1081 1 2 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.351 -0.096 17822 1082 1 2 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.445 -1.378 17822 1083 1 2 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.721 0.346 17822 1084 1 2 . 1 1 85 85 TYR H H 85 7.633 7.633 7.419 0.214 17822 1085 1 2 . 1 1 86 86 ASN N N 86 119.638 119.638 113.927 5.711 17822 1086 1 2 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.367 0.107 17822 1087 1 2 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.185 -0.303 17822 1088 1 2 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.279 0.463 17822 1089 1 2 . 1 1 86 86 ASN H H 86 8.622 8.622 8.483 0.139 17822 1090 1 2 . 1 1 87 87 LYS N N 87 116.321 116.321 118.417 -2.096 17822 1091 1 2 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.488 0.010 17822 1092 1 2 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.987 -0.818 17822 1093 1 2 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.135 -0.462 17822 1094 1 2 . 1 1 87 87 LYS H H 87 7.631 7.631 7.929 -0.298 17822 1095 1 2 . 1 1 88 88 VAL N N 88 125.141 125.141 118.616 6.525 17822 1096 1 2 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.494 -0.872 17822 1097 1 2 . 1 1 88 88 VAL CA C 88 61.966 61.966 56.896 5.070 17822 1098 1 2 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.283 2.005 17822 1099 1 2 . 1 1 88 88 VAL H H 88 8.357 8.357 8.363 -0.006 17822 1100 1 2 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.744 -0.491 17822 1101 1 2 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.506 1.834 17822 1102 1 2 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.012 0.542 17822 1103 1 2 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.221 0.279 17822 1104 1 2 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.203 0.776 17822 1105 1 2 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.023 0.165 17822 1106 1 2 . 1 1 91 91 ASN N N 91 112.735 112.735 116.290 -3.555 17822 1107 1 2 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.550 0.105 17822 1108 1 2 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.571 -1.696 17822 1109 1 2 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.224 -0.781 17822 1110 1 2 . 1 1 91 91 ASN H H 91 9.163 9.163 8.453 0.710 17822 1111 1 2 . 1 1 92 92 GLY N N 92 108.893 108.893 105.102 3.791 17822 1112 1 2 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.569 -1.127 17822 1113 1 2 . 1 1 92 92 GLY H H 92 7.898 7.898 7.086 0.812 17822 1114 1 2 . 1 1 93 93 LEU N N 93 117.751 117.751 126.493 -8.742 17822 1115 1 2 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.238 0.086 17822 1116 1 2 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.185 -0.419 17822 1117 1 2 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.114 5.413 17822 1118 1 2 . 1 1 93 93 LEU H H 93 8.508 8.508 7.633 0.875 17822 1119 1 2 . 1 1 94 94 VAL N N 94 126.296 126.296 128.223 -1.927 17822 1120 1 2 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.696 -0.346 17822 1121 1 2 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.559 -1.084 17822 1122 1 2 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.747 -0.579 17822 1123 1 2 . 1 1 94 94 VAL H H 94 8.168 8.168 7.786 0.382 17822 1124 1 2 . 1 1 95 95 VAL N N 95 125.531 125.531 121.832 3.699 17822 1125 1 2 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.879 -0.739 17822 1126 1 2 . 1 1 95 95 VAL CA C 95 60.303 60.303 60.782 -0.479 17822 1127 1 2 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.835 0.360 17822 1128 1 2 . 1 1 95 95 VAL H H 95 8.744 8.744 8.266 0.478 17822 1129 1 2 . 1 1 96 96 TYR N N 96 123.577 123.577 124.182 -0.605 17822 1130 1 2 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.594 -0.262 17822 1131 1 2 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.942 0.635 17822 1132 1 2 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.526 -0.906 17822 1133 1 2 . 1 1 96 96 TYR H H 96 8.698 8.698 9.348 -0.650 17822 1134 1 2 . 1 1 97 97 CYS N N 97 120.144 120.144 123.636 -3.492 17822 1135 1 2 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.791 -0.243 17822 1136 1 2 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.483 -0.906 17822 1137 1 2 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.352 1.435 17822 1138 1 2 . 1 1 97 97 CYS H H 97 8.796 8.796 8.247 0.549 17822 1139 1 2 . 1 1 98 98 GLY N N 98 112.534 112.534 114.965 -2.431 17822 1140 1 2 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.481 0.317 17822 1141 1 2 . 1 1 98 98 GLY H H 98 8.776 8.776 8.343 0.433 17822 1142 1 2 . 1 1 99 99 THR N N 99 119.083 119.083 116.396 2.687 17822 1143 1 2 . 1 1 99 99 THR HA H 99 4.821 4.821 5.444 -0.623 17822 1144 1 2 . 1 1 99 99 THR CA C 99 62.294 62.294 62.038 0.256 17822 1145 1 2 . 1 1 99 99 THR CB C 99 69.781 69.781 70.873 -1.091 17822 1146 1 2 . 1 1 99 99 THR H H 99 8.168 8.168 8.495 -0.327 17822 1147 1 2 . 1 1 100 100 ILE N N 100 122.250 122.250 124.044 -1.794 17822 1148 1 2 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.719 -0.142 17822 1149 1 2 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.762 -0.179 17822 1150 1 2 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.706 -0.197 17822 1151 1 2 . 1 1 100 100 ILE H H 100 8.838 8.838 8.413 0.425 17822 1152 1 2 . 1 1 101 101 VAL N N 101 120.622 120.622 124.504 -3.882 17822 1153 1 2 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.884 -0.234 17822 1154 1 2 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.384 1.206 17822 1155 1 2 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.769 -1.880 17822 1156 1 2 . 1 1 101 101 VAL H H 101 8.310 8.310 8.436 -0.126 17822 1157 1 2 . 1 1 102 102 THR N N 102 118.661 118.661 121.071 -2.410 17822 1158 1 2 . 1 1 102 102 THR HA H 102 4.658 4.658 4.628 0.030 17822 1159 1 2 . 1 1 102 102 THR CA C 102 60.590 60.590 60.359 0.230 17822 1160 1 2 . 1 1 102 102 THR CB C 102 71.189 71.189 70.047 1.142 17822 1161 1 2 . 1 1 102 102 THR H H 102 8.867 8.867 8.192 0.675 17822 1162 1 2 . 1 1 103 103 GLU N N 103 121.906 121.906 120.728 1.178 17822 1163 1 2 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.129 -0.211 17822 1164 1 2 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.522 0.405 17822 1165 1 2 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.101 -0.171 17822 1166 1 2 . 1 1 103 103 GLU H H 103 9.243 9.243 8.788 0.455 17822 1167 1 2 . 1 1 104 104 GLU N N 104 116.013 116.013 117.783 -1.770 17822 1168 1 2 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.167 0.007 17822 1169 1 2 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.225 0.008 17822 1170 1 2 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.374 0.093 17822 1171 1 2 . 1 1 104 104 GLU H H 104 7.716 7.716 7.724 -0.008 17822 1172 1 2 . 1 1 105 105 GLY N N 105 109.001 109.001 107.656 1.345 17822 1173 1 2 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.285 -0.580 17822 1174 1 2 . 1 1 105 105 GLY H H 105 8.045 8.045 7.919 0.126 17822 1175 1 2 . 1 1 106 106 LYS N N 106 119.559 119.559 118.985 0.574 17822 1176 1 2 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.657 -0.326 17822 1177 1 2 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.440 0.015 17822 1178 1 2 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.803 -0.381 17822 1179 1 2 . 1 1 106 106 LYS H H 106 6.924 6.924 7.549 -0.625 17822 1180 1 2 . 1 1 107 107 GLU N N 107 121.771 121.771 124.032 -2.261 17822 1181 1 2 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.352 0.602 17822 1182 1 2 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.350 -0.748 17822 1183 1 2 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.767 0.518 17822 1184 1 2 . 1 1 107 107 GLU H H 107 8.371 8.371 8.741 -0.370 17822 1185 1 2 . 1 1 108 108 LYS N N 108 125.216 125.216 122.074 3.142 17822 1186 1 2 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.481 -0.041 17822 1187 1 2 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.225 -0.139 17822 1188 1 2 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.790 1.125 17822 1189 1 2 . 1 1 108 108 LYS H H 108 8.946 8.946 8.361 0.585 17822 1190 1 2 . 1 1 109 109 LYS N N 109 125.136 125.136 128.963 -3.827 17822 1191 1 2 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.389 0.247 17822 1192 1 2 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.461 -0.687 17822 1193 1 2 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.654 0.145 17822 1194 1 2 . 1 1 109 109 LYS H H 109 8.548 8.548 8.640 -0.092 17822 1195 1 2 . 1 1 110 110 VAL N N 110 125.626 125.626 127.852 -2.226 17822 1196 1 2 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.070 0.006 17822 1197 1 2 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.620 -1.056 17822 1198 1 2 . 1 1 110 110 VAL CB C 110 33.892 33.892 31.948 1.944 17822 1199 1 2 . 1 1 110 110 VAL H H 110 8.850 8.850 8.981 -0.131 17822 1200 1 2 . 1 1 111 111 ASN N N 111 126.837 126.837 127.093 -0.256 17822 1201 1 2 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.343 -0.055 17822 1202 1 2 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.446 0.863 17822 1203 1 2 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.652 -0.183 17822 1204 1 2 . 1 1 111 111 ASN H H 111 8.711 8.711 8.439 0.272 17822 1205 1 2 . 1 1 112 112 ILE N N 112 125.729 125.729 123.637 2.092 17822 1206 1 2 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.468 -0.084 17822 1207 1 2 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.808 -0.619 17822 1208 1 2 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.716 0.136 17822 1209 1 2 . 1 1 112 112 ILE H H 112 8.931 8.931 8.639 0.292 17822 1210 1 2 . 1 1 113 113 ASP N N 113 122.734 122.734 123.889 -1.155 17822 1211 1 2 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.924 -0.134 17822 1212 1 2 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.484 -1.279 17822 1213 1 2 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.600 -0.079 17822 1214 1 2 . 1 1 113 113 ASP H H 113 8.116 8.116 8.405 -0.289 17822 1215 1 2 . 1 1 114 114 PHE N N 114 116.385 116.385 117.875 -1.490 17822 1216 1 2 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.879 -0.176 17822 1217 1 2 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.666 -0.203 17822 1218 1 2 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.281 -0.574 17822 1219 1 2 . 1 1 114 114 PHE H H 114 8.613 8.613 8.203 0.410 17822 1220 1 2 . 1 1 115 115 GLU N N 115 124.642 124.642 120.227 4.415 17822 1221 1 2 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.446 0.347 17822 1222 1 2 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.999 -1.296 17822 1223 1 2 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.665 1.460 17822 1224 1 2 . 1 1 115 115 GLU H H 115 8.591 8.591 8.280 0.311 17822 1225 1 2 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.238 0.345 17822 1226 1 2 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.370 -0.019 17822 1227 1 2 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.411 -1.449 17822 1228 1 2 . 1 1 117 117 PHE N N 117 116.676 116.676 112.385 4.291 17822 1229 1 2 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.590 -0.396 17822 1230 1 2 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.949 0.690 17822 1231 1 2 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.218 -1.466 17822 1232 1 2 . 1 1 117 117 PHE H H 117 7.842 7.842 8.138 -0.296 17822 1233 1 2 . 1 1 118 118 LYS N N 118 118.589 118.589 119.502 -0.913 17822 1234 1 2 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.332 -0.149 17822 1235 1 2 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.512 -0.178 17822 1236 1 2 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.001 2.192 17822 1237 1 2 . 1 1 118 118 LYS H H 118 6.889 6.889 7.211 -0.322 17822 1238 1 2 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.525 -0.002 17822 1239 1 2 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.225 0.391 17822 1240 1 2 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.457 -0.285 17822 1241 1 2 . 1 1 120 120 ILE N N 120 121.968 121.968 122.666 -0.698 17822 1242 1 2 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.156 -0.250 17822 1243 1 2 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.629 1.789 17822 1244 1 2 . 1 1 120 120 ILE CB C 120 38.805 38.805 37.636 1.169 17822 1245 1 2 . 1 1 120 120 ILE H H 120 7.440 7.440 7.704 -0.264 17822 1246 1 2 . 1 1 121 121 ASN N N 121 120.951 120.951 127.285 -6.334 17822 1247 1 2 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.461 0.171 17822 1248 1 2 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.137 -1.255 17822 1249 1 2 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.713 0.585 17822 1250 1 2 . 1 1 121 121 ASN H H 121 8.112 8.112 8.787 -0.675 17822 1251 1 2 . 1 1 122 122 GLN N N 122 118.826 118.826 116.325 2.501 17822 1252 1 2 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.370 0.042 17822 1253 1 2 . 1 1 122 122 GLN CA C 122 54.398 54.398 55.020 -0.622 17822 1254 1 2 . 1 1 122 122 GLN CB C 122 31.486 31.486 29.896 1.590 17822 1255 1 2 . 1 1 122 122 GLN H H 122 7.009 7.009 7.710 -0.701 17822 1256 1 2 . 1 1 123 123 PHE N N 123 122.795 122.795 117.840 4.955 17822 1257 1 2 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.415 0.299 17822 1258 1 2 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.776 -0.569 17822 1259 1 2 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.981 0.737 17822 1260 1 2 . 1 1 123 123 PHE H H 123 8.335 8.335 8.576 -0.241 17822 1261 1 2 . 1 1 124 124 MET N N 124 126.990 126.990 126.587 0.403 17822 1262 1 2 . 1 1 124 124 MET HA H 124 3.984 3.984 4.441 -0.457 17822 1263 1 2 . 1 1 124 124 MET CA C 124 54.799 54.799 54.446 0.353 17822 1264 1 2 . 1 1 124 124 MET CB C 124 37.330 37.330 36.394 0.936 17822 1265 1 2 . 1 1 124 124 MET H H 124 7.992 7.992 8.412 -0.420 17822 1266 1 2 . 1 1 125 125 TYR N N 125 122.216 122.216 124.953 -2.737 17822 1267 1 2 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.534 0.370 17822 1268 1 2 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.275 -0.526 17822 1269 1 2 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.343 0.810 17822 1270 1 2 . 1 1 125 125 TYR H H 125 7.552 7.552 8.122 -0.570 17822 1271 1 2 . 1 1 126 126 PHE N N 126 124.584 124.584 119.231 5.353 17822 1272 1 2 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.717 -0.642 17822 1273 1 2 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.885 0.520 17822 1274 1 2 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.672 3.747 17822 1275 1 2 . 1 1 126 126 PHE H H 126 8.271 8.271 6.754 1.517 17822 1276 1 2 . 1 1 127 127 CYS N N 127 124.011 124.011 120.561 3.450 17822 1277 1 2 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.524 0.272 17822 1278 1 2 . 1 1 127 127 CYS CA C 127 57.840 57.840 58.299 -0.459 17822 1279 1 2 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.907 -4.976 17822 1280 1 2 . 1 1 127 127 CYS H H 127 8.442 8.442 8.889 -0.447 17822 1281 1 2 . 1 1 128 128 ASP N N 128 127.486 127.486 121.857 5.629 17822 1282 1 2 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.579 0.427 17822 1283 1 2 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.971 -2.465 17822 1284 1 2 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.411 1.985 17822 1285 1 2 . 1 1 128 128 ASP H H 128 8.907 8.907 8.435 0.471 17822 1286 1 2 . 1 1 129 129 ASN N N 129 119.092 119.092 117.698 1.394 17822 1287 1 2 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.384 0.280 17822 1288 1 2 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.430 -1.695 17822 1289 1 2 . 1 1 129 129 ASN CB C 129 37.902 37.902 38.023 -0.121 17822 1290 1 2 . 1 1 129 129 ASN H H 129 9.136 9.136 8.413 0.723 17822 1291 1 2 . 1 1 130 130 LYS N N 130 114.367 114.367 113.594 0.773 17822 1292 1 2 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.438 -0.275 17822 1293 1 2 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.312 -1.086 17822 1294 1 2 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.458 -0.366 17822 1295 1 2 . 1 1 130 130 LYS H H 130 7.115 7.115 7.167 -0.052 17822 1296 1 2 . 1 1 131 131 PHE N N 131 121.117 121.117 119.665 1.452 17822 1297 1 2 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.646 -0.131 17822 1298 1 2 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.558 -1.408 17822 1299 1 2 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.462 -1.373 17822 1300 1 2 . 1 1 131 131 PHE H H 131 9.291 9.291 8.718 0.573 17822 1301 1 2 . 1 1 132 132 HIS N N 132 121.897 121.897 123.387 -1.490 17822 1302 1 2 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.901 -0.518 17822 1303 1 2 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.525 0.478 17822 1304 1 2 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.643 -2.300 17822 1305 1 2 . 1 1 132 132 HIS H H 132 9.026 9.026 8.481 0.545 17822 1306 1 2 . 1 1 133 133 THR N N 133 117.915 117.915 118.476 -0.561 17822 1307 1 2 . 1 1 133 133 THR HA H 133 4.612 4.612 4.746 -0.134 17822 1308 1 2 . 1 1 133 133 THR CA C 133 61.679 61.679 61.488 0.191 17822 1309 1 2 . 1 1 133 133 THR CB C 133 73.856 73.856 70.978 2.878 17822 1310 1 2 . 1 1 133 133 THR H H 133 8.700 8.700 8.481 0.219 17822 1311 1 2 . 1 1 134 134 GLU N N 134 129.072 129.072 127.049 2.023 17822 1312 1 2 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.241 -0.262 17822 1313 1 2 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.404 1.129 17822 1314 1 2 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.637 -2.134 17822 1315 1 2 . 1 1 134 134 GLU H H 134 10.805 10.805 8.650 2.155 17822 1316 1 2 . 1 1 135 135 ALA N N 135 122.099 122.099 122.437 -0.338 17822 1317 1 2 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.049 0.022 17822 1318 1 2 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.110 -0.597 17822 1319 1 2 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.780 0.981 17822 1320 1 2 . 1 1 135 135 ALA H H 135 8.590 8.590 8.590 0.000 17822 1321 1 2 . 1 1 136 136 LEU N N 136 116.720 116.720 117.873 -1.153 17822 1322 1 2 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.019 0.035 17822 1323 1 2 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.994 -1.417 17822 1324 1 2 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.465 -0.154 17822 1325 1 2 . 1 1 136 136 LEU H H 136 7.471 7.471 7.798 -0.327 17822 1326 1 2 . 1 1 137 137 THR N N 137 117.177 117.177 113.180 3.997 17822 1327 1 2 . 1 1 137 137 THR HA H 137 4.005 4.005 4.070 -0.065 17822 1328 1 2 . 1 1 137 137 THR CA C 137 66.610 66.610 65.312 1.298 17822 1329 1 2 . 1 1 137 137 THR CB C 137 67.980 67.980 68.819 -0.839 17822 1330 1 2 . 1 1 137 137 THR H H 137 8.044 8.044 7.596 0.448 17822 1331 1 2 . 1 1 138 138 ALA N N 138 124.719 124.719 123.801 0.918 17822 1332 1 2 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.313 -0.312 17822 1333 1 2 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.268 0.646 17822 1334 1 2 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.744 -1.247 17822 1335 1 2 . 1 1 138 138 ALA H H 138 7.695 7.695 8.113 -0.418 17822 1336 1 2 . 1 1 139 139 LEU N N 139 120.059 120.059 120.567 -0.508 17822 1337 1 2 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.985 0.014 17822 1338 1 2 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.941 -0.447 17822 1339 1 2 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.711 1.101 17822 1340 1 2 . 1 1 139 139 LEU H H 139 7.345 7.345 8.346 -1.001 17822 1341 1 2 . 1 1 140 140 LEU N N 140 117.771 117.771 118.798 -1.027 17822 1342 1 2 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.999 -0.042 17822 1343 1 2 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.764 -1.786 17822 1344 1 2 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.800 -0.561 17822 1345 1 2 . 1 1 140 140 LEU H H 140 7.748 7.748 7.835 -0.087 17822 1346 1 2 . 1 1 141 141 SER N N 141 114.778 114.778 112.776 2.002 17822 1347 1 2 . 1 1 141 141 SER HA H 141 4.107 4.107 4.207 -0.100 17822 1348 1 2 . 1 1 141 141 SER CA C 141 60.647 60.647 60.555 0.092 17822 1349 1 2 . 1 1 141 141 SER CB C 141 62.650 62.650 62.867 -0.217 17822 1350 1 2 . 1 1 141 141 SER H H 141 7.807 7.807 7.390 0.417 17822 1351 1 2 . 1 1 142 142 ASP N N 142 121.827 121.827 121.573 0.254 17822 1352 1 2 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.566 -0.208 17822 1353 1 2 . 1 1 142 142 ASP CA C 142 56.061 56.061 55.949 0.112 17822 1354 1 2 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.307 -0.698 17822 1355 1 2 . 1 1 142 142 ASP H H 142 7.878 7.878 8.086 -0.208 17822 1356 1 2 . 1 1 143 143 LEU N N 143 120.220 120.220 119.315 0.905 17822 1357 1 2 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.302 -0.330 17822 1358 1 2 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.358 0.104 17822 1359 1 2 . 1 1 143 143 LEU CB C 143 42.214 42.214 43.293 -1.079 17822 1360 1 2 . 1 1 143 143 LEU H H 143 7.846 7.846 8.330 -0.484 17822 1361 1 3 . 1 1 2 2 ALA N N 2 125.964 125.964 123.104 2.860 17822 1362 1 3 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.501 0.111 17822 1363 1 3 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.951 -0.659 17822 1364 1 3 . 1 1 2 2 ALA H H 2 8.065 8.065 8.529 -0.464 17822 1365 1 3 . 1 1 3 3 ASP N N 3 119.188 119.188 118.335 0.853 17822 1366 1 3 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.805 -0.195 17822 1367 1 3 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.556 0.327 17822 1368 1 3 . 1 1 3 3 ASP CB C 3 40.810 40.810 42.383 -1.573 17822 1369 1 3 . 1 1 3 3 ASP H H 3 8.203 8.203 8.091 0.112 17822 1370 1 3 . 1 1 4 4 ASP N N 4 121.607 121.607 122.097 -0.490 17822 1371 1 3 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.972 -0.600 17822 1372 1 3 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.435 0.326 17822 1373 1 3 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.069 -1.159 17822 1374 1 3 . 1 1 4 4 ASP H H 4 7.954 7.954 8.353 -0.399 17822 1375 1 3 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.450 -0.198 17822 1376 1 3 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.569 -1.201 17822 1377 1 3 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.312 -0.453 17822 1378 1 3 . 1 1 6 6 SER N N 6 115.864 115.864 115.983 -0.119 17822 1379 1 3 . 1 1 6 6 SER HA H 6 4.252 4.252 4.292 -0.040 17822 1380 1 3 . 1 1 6 6 SER CA C 6 58.870 58.870 60.621 -1.751 17822 1381 1 3 . 1 1 6 6 SER CB C 6 63.368 63.368 62.367 1.000 17822 1382 1 3 . 1 1 6 6 SER H H 6 8.310 8.310 8.337 -0.027 17822 1383 1 3 . 1 1 7 7 ALA N N 7 125.955 125.955 123.313 2.642 17822 1384 1 3 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.198 -0.199 17822 1385 1 3 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.306 -0.997 17822 1386 1 3 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.940 0.611 17822 1387 1 3 . 1 1 7 7 ALA H H 7 7.854 7.854 8.390 -0.536 17822 1388 1 3 . 1 1 8 8 ALA N N 8 122.354 122.354 121.006 1.348 17822 1389 1 3 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.022 -0.225 17822 1390 1 3 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.083 -1.488 17822 1391 1 3 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.338 0.114 17822 1392 1 3 . 1 1 8 8 ALA H H 8 7.910 7.910 7.588 0.322 17822 1393 1 3 . 1 1 9 9 ASP N N 9 119.431 119.431 117.987 1.444 17822 1394 1 3 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.403 -0.084 17822 1395 1 3 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.208 -2.065 17822 1396 1 3 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.338 0.285 17822 1397 1 3 . 1 1 9 9 ASP H H 9 7.970 7.970 8.009 -0.039 17822 1398 1 3 . 1 1 10 10 ARG N N 10 122.263 122.263 120.526 1.737 17822 1399 1 3 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.256 -0.420 17822 1400 1 3 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.290 -1.509 17822 1401 1 3 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.441 -0.560 17822 1402 1 3 . 1 1 10 10 ARG H H 10 8.036 8.036 7.965 0.071 17822 1403 1 3 . 1 1 11 11 ASN N N 11 118.325 118.325 117.303 1.022 17822 1404 1 3 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.446 -0.143 17822 1405 1 3 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.946 -0.803 17822 1406 1 3 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.375 -0.573 17822 1407 1 3 . 1 1 11 11 ASN H H 11 8.077 8.077 7.735 0.342 17822 1408 1 3 . 1 1 12 12 VAL N N 12 122.103 122.103 121.145 0.958 17822 1409 1 3 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.668 0.947 17822 1410 1 3 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.759 -0.138 17822 1411 1 3 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.193 0.293 17822 1412 1 3 . 1 1 12 12 VAL H H 12 7.741 7.741 7.777 -0.036 17822 1413 1 3 . 1 1 13 13 GLU N N 13 120.785 120.785 119.964 0.821 17822 1414 1 3 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.889 -0.655 17822 1415 1 3 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.360 5.701 17822 1416 1 3 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.903 0.865 17822 1417 1 3 . 1 1 13 13 GLU H H 13 7.751 7.751 7.832 -0.081 17822 1418 1 3 . 1 1 14 14 ILE N N 14 120.199 120.199 120.232 -0.033 17822 1419 1 3 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.521 0.267 17822 1420 1 3 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.593 -5.411 17822 1421 1 3 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.331 -1.337 17822 1422 1 3 . 1 1 14 14 ILE H H 14 7.650 7.650 7.182 0.468 17822 1423 1 3 . 1 1 15 15 TRP N N 15 120.828 120.828 116.292 4.536 17822 1424 1 3 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.566 -0.513 17822 1425 1 3 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.279 3.311 17822 1426 1 3 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.737 -0.293 17822 1427 1 3 . 1 1 15 15 TRP H H 15 7.759 7.759 7.137 0.622 17822 1428 1 3 . 1 1 16 16 LYS N N 16 119.063 119.063 122.305 -3.242 17822 1429 1 3 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.175 -0.685 17822 1430 1 3 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.081 1.888 17822 1431 1 3 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.017 0.162 17822 1432 1 3 . 1 1 16 16 LYS H H 16 7.963 7.963 7.746 0.217 17822 1433 1 3 . 1 1 17 17 ILE N N 17 120.609 120.609 119.514 1.095 17822 1434 1 3 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.819 -0.208 17822 1435 1 3 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.587 -1.131 17822 1436 1 3 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.477 -1.179 17822 1437 1 3 . 1 1 17 17 ILE H H 17 7.630 7.630 8.492 -0.862 17822 1438 1 3 . 1 1 18 18 LYS N N 18 121.687 121.687 118.981 2.706 17822 1439 1 3 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.021 -0.438 17822 1440 1 3 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.494 1.436 17822 1441 1 3 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.538 0.544 17822 1442 1 3 . 1 1 18 18 LYS H H 18 8.297 8.297 7.798 0.499 17822 1443 1 3 . 1 1 19 19 LYS N N 19 119.253 119.253 118.548 0.705 17822 1444 1 3 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.119 -0.502 17822 1445 1 3 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.656 0.329 17822 1446 1 3 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.251 -0.392 17822 1447 1 3 . 1 1 19 19 LYS H H 19 7.685 7.685 7.661 0.024 17822 1448 1 3 . 1 1 20 20 LEU N N 20 123.001 123.001 121.436 1.565 17822 1449 1 3 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.057 -0.232 17822 1450 1 3 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.654 0.127 17822 1451 1 3 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.701 -0.290 17822 1452 1 3 . 1 1 20 20 LEU H H 20 7.509 7.509 7.181 0.328 17822 1453 1 3 . 1 1 21 21 ILE N N 21 119.392 119.392 119.302 0.090 17822 1454 1 3 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.722 -0.652 17822 1455 1 3 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.264 3.231 17822 1456 1 3 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.036 1.167 17822 1457 1 3 . 1 1 21 21 ILE H H 21 8.474 8.474 8.286 0.188 17822 1458 1 3 . 1 1 22 22 LYS N N 22 117.524 117.524 118.825 -1.301 17822 1459 1 3 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.060 -0.254 17822 1460 1 3 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.187 -0.374 17822 1461 1 3 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.195 -0.308 17822 1462 1 3 . 1 1 22 22 LYS H H 22 7.300 7.300 7.494 -0.194 17822 1463 1 3 . 1 1 23 23 SER N N 23 114.880 114.880 114.082 0.798 17822 1464 1 3 . 1 1 23 23 SER HA H 23 4.008 4.008 4.305 -0.297 17822 1465 1 3 . 1 1 23 23 SER CA C 23 61.106 61.106 60.599 0.507 17822 1466 1 3 . 1 1 23 23 SER CB C 23 62.587 62.587 63.575 -0.988 17822 1467 1 3 . 1 1 23 23 SER H H 23 7.653 7.653 7.447 0.206 17822 1468 1 3 . 1 1 24 24 LEU N N 24 121.607 121.607 122.016 -0.409 17822 1469 1 3 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.443 0.429 17822 1470 1 3 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.804 -0.941 17822 1471 1 3 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.275 0.014 17822 1472 1 3 . 1 1 24 24 LEU H H 24 8.158 8.158 7.813 0.345 17822 1473 1 3 . 1 1 25 25 GLU N N 25 119.392 119.392 118.101 1.291 17822 1474 1 3 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.146 -0.265 17822 1475 1 3 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.779 -0.196 17822 1476 1 3 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.423 -0.243 17822 1477 1 3 . 1 1 25 25 GLU H H 25 8.344 8.344 7.769 0.575 17822 1478 1 3 . 1 1 26 26 ALA N N 26 119.228 119.228 119.200 0.028 17822 1479 1 3 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.384 -0.267 17822 1480 1 3 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.632 0.358 17822 1481 1 3 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.252 -0.299 17822 1482 1 3 . 1 1 26 26 ALA H H 26 7.154 7.154 7.158 -0.004 17822 1483 1 3 . 1 1 27 27 ALA N N 27 121.417 121.417 123.153 -1.736 17822 1484 1 3 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.268 -0.198 17822 1485 1 3 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.074 -0.606 17822 1486 1 3 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.364 -0.061 17822 1487 1 3 . 1 1 27 27 ALA H H 27 6.833 6.833 7.556 -0.723 17822 1488 1 3 . 1 1 28 28 ARG N N 28 123.986 123.986 121.671 2.315 17822 1489 1 3 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.509 -0.013 17822 1490 1 3 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.270 -1.101 17822 1491 1 3 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.897 0.064 17822 1492 1 3 . 1 1 28 28 ARG H H 28 8.679 8.679 8.225 0.454 17822 1493 1 3 . 1 1 29 29 GLY N N 29 109.466 109.466 108.728 0.738 17822 1494 1 3 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.890 -0.501 17822 1495 1 3 . 1 1 29 29 GLY H H 29 8.091 8.091 8.240 -0.149 17822 1496 1 3 . 1 1 30 30 ASN N N 30 120.048 120.048 116.789 3.259 17822 1497 1 3 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.592 0.063 17822 1498 1 3 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.115 -1.486 17822 1499 1 3 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.097 -1.296 17822 1500 1 3 . 1 1 30 30 ASN H H 30 8.419 8.419 8.566 -0.147 17822 1501 1 3 . 1 1 31 31 GLY N N 31 110.450 110.450 105.972 4.478 17822 1502 1 3 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.508 -0.821 17822 1503 1 3 . 1 1 31 31 GLY H H 31 8.071 8.071 8.560 -0.489 17822 1504 1 3 . 1 1 32 32 THR N N 32 112.929 112.929 116.620 -3.691 17822 1505 1 3 . 1 1 32 32 THR HA H 32 4.993 4.993 4.687 0.306 17822 1506 1 3 . 1 1 32 32 THR CA C 32 59.598 59.598 60.187 -0.589 17822 1507 1 3 . 1 1 32 32 THR H H 32 7.747 7.747 7.692 0.055 17822 1508 1 3 . 1 1 33 33 SER N N 33 115.208 115.208 115.553 -0.345 17822 1509 1 3 . 1 1 33 33 SER HA H 33 4.335 4.335 4.650 -0.315 17822 1510 1 3 . 1 1 33 33 SER CA C 33 58.067 58.067 57.717 0.350 17822 1511 1 3 . 1 1 33 33 SER CB C 33 64.572 64.572 64.528 0.044 17822 1512 1 3 . 1 1 33 33 SER H H 33 7.701 7.701 8.286 -0.585 17822 1513 1 3 . 1 1 34 34 MET N N 34 120.869 120.869 122.761 -1.892 17822 1514 1 3 . 1 1 34 34 MET HA H 34 4.666 4.666 4.748 -0.082 17822 1515 1 3 . 1 1 34 34 MET CA C 34 54.799 54.799 54.557 0.242 17822 1516 1 3 . 1 1 34 34 MET CB C 34 34.700 34.700 34.201 0.499 17822 1517 1 3 . 1 1 34 34 MET H H 34 8.679 8.679 8.264 0.415 17822 1518 1 3 . 1 1 35 35 ILE N N 35 126.806 126.806 120.222 6.584 17822 1519 1 3 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.320 1.850 17822 1520 1 3 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.085 -0.183 17822 1521 1 3 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.510 -1.837 17822 1522 1 3 . 1 1 35 35 ILE H H 35 9.562 9.562 8.158 1.404 17822 1523 1 3 . 1 1 36 36 SER N N 36 122.217 122.217 121.915 0.302 17822 1524 1 3 . 1 1 36 36 SER HA H 36 4.968 4.968 5.021 -0.053 17822 1525 1 3 . 1 1 36 36 SER CA C 36 56.602 56.602 57.104 -0.502 17822 1526 1 3 . 1 1 36 36 SER CB C 36 64.572 64.572 63.635 0.937 17822 1527 1 3 . 1 1 36 36 SER H H 36 8.422 8.422 8.040 0.382 17822 1528 1 3 . 1 1 37 37 LEU N N 37 128.938 128.938 125.641 3.297 17822 1529 1 3 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.795 0.186 17822 1530 1 3 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.414 0.067 17822 1531 1 3 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.705 -0.329 17822 1532 1 3 . 1 1 37 37 LEU H H 37 8.916 8.916 7.597 1.319 17822 1533 1 3 . 1 1 38 38 ILE N N 38 128.296 128.296 115.570 12.726 17822 1534 1 3 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.947 0.025 17822 1535 1 3 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.598 0.247 17822 1536 1 3 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.080 -2.075 17822 1537 1 3 . 1 1 38 38 ILE H H 38 8.740 8.740 8.298 0.442 17822 1538 1 3 . 1 1 39 39 ILE N N 39 125.429 125.429 123.804 1.625 17822 1539 1 3 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.612 -0.213 17822 1540 1 3 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.538 -0.815 17822 1541 1 3 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.493 2.168 17822 1542 1 3 . 1 1 39 39 ILE H H 39 8.960 8.960 8.187 0.773 17822 1543 1 3 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.790 -0.383 17822 1544 1 3 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.516 5.666 17822 1545 1 3 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.145 0.227 17822 1546 1 3 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.537 -0.716 17822 1547 1 3 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.404 3.410 17822 1548 1 3 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.766 0.411 17822 1549 1 3 . 1 1 42 42 LYS N N 42 113.683 113.683 116.470 -2.787 17822 1550 1 3 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.456 -0.500 17822 1551 1 3 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.429 1.377 17822 1552 1 3 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.574 -1.392 17822 1553 1 3 . 1 1 42 42 LYS H H 42 8.004 8.004 8.249 -0.245 17822 1554 1 3 . 1 1 43 43 ASP N N 43 121.628 121.628 118.426 3.202 17822 1555 1 3 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.822 -0.387 17822 1556 1 3 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.871 -0.365 17822 1557 1 3 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.562 -1.347 17822 1558 1 3 . 1 1 43 43 ASP H H 43 7.290 7.290 7.459 -0.169 17822 1559 1 3 . 1 1 44 44 GLN N N 44 117.587 117.587 118.575 -0.988 17822 1560 1 3 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.601 -0.064 17822 1561 1 3 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.590 -0.651 17822 1562 1 3 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.386 0.158 17822 1563 1 3 . 1 1 44 44 GLN H H 44 9.610 9.610 8.501 1.109 17822 1564 1 3 . 1 1 45 45 ILE N N 45 126.939 126.939 123.928 3.011 17822 1565 1 3 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.688 -0.387 17822 1566 1 3 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.306 -1.022 17822 1567 1 3 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.344 -1.711 17822 1568 1 3 . 1 1 45 45 ILE H H 45 8.806 8.806 8.860 -0.054 17822 1569 1 3 . 1 1 46 46 SER N N 46 113.239 113.239 114.982 -1.743 17822 1570 1 3 . 1 1 46 46 SER HA H 46 3.931 3.931 4.229 -0.298 17822 1571 1 3 . 1 1 46 46 SER CA C 46 60.762 60.762 60.973 -0.211 17822 1572 1 3 . 1 1 46 46 SER CB C 46 61.464 61.464 62.719 -1.255 17822 1573 1 3 . 1 1 46 46 SER H H 46 8.476 8.476 8.395 0.081 17822 1574 1 3 . 1 1 47 47 ARG N N 47 124.530 124.530 122.518 2.012 17822 1575 1 3 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.037 -0.246 17822 1576 1 3 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.780 0.147 17822 1577 1 3 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.647 0.936 17822 1578 1 3 . 1 1 47 47 ARG H H 47 6.731 6.731 7.633 -0.902 17822 1579 1 3 . 1 1 48 48 VAL N N 48 121.935 121.935 119.735 2.200 17822 1580 1 3 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.713 -0.566 17822 1581 1 3 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.438 -0.230 17822 1582 1 3 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.317 0.152 17822 1583 1 3 . 1 1 48 48 VAL H H 48 7.257 7.257 7.666 -0.409 17822 1584 1 3 . 1 1 49 49 ALA N N 49 122.345 122.345 120.011 2.334 17822 1585 1 3 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.078 -0.196 17822 1586 1 3 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.991 0.152 17822 1587 1 3 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.146 -0.496 17822 1588 1 3 . 1 1 49 49 ALA H H 49 8.864 8.864 7.704 1.160 17822 1589 1 3 . 1 1 50 50 LYS N N 50 120.376 120.376 119.865 0.511 17822 1590 1 3 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.161 -0.258 17822 1591 1 3 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.714 0.213 17822 1592 1 3 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.423 -0.837 17822 1593 1 3 . 1 1 50 50 LYS H H 50 7.380 7.380 7.807 -0.427 17822 1594 1 3 . 1 1 51 51 MET N N 51 121.641 121.641 118.028 3.613 17822 1595 1 3 . 1 1 51 51 MET HA H 51 3.935 3.935 4.157 -0.222 17822 1596 1 3 . 1 1 51 51 MET CA C 51 58.927 58.927 58.629 0.298 17822 1597 1 3 . 1 1 51 51 MET CB C 51 30.734 30.734 32.055 -1.321 17822 1598 1 3 . 1 1 51 51 MET H H 51 7.508 7.508 7.931 -0.423 17822 1599 1 3 . 1 1 52 52 LEU N N 52 120.125 120.125 120.219 -0.094 17822 1600 1 3 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.197 -0.540 17822 1601 1 3 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.830 0.607 17822 1602 1 3 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.896 -0.342 17822 1603 1 3 . 1 1 52 52 LEU H H 52 8.203 8.203 7.737 0.466 17822 1604 1 3 . 1 1 53 53 ALA N N 53 123.639 123.639 121.965 1.674 17822 1605 1 3 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.854 0.091 17822 1606 1 3 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.394 -0.595 17822 1607 1 3 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.849 -0.599 17822 1608 1 3 . 1 1 53 53 ALA H H 53 7.775 7.775 7.634 0.141 17822 1609 1 3 . 1 1 54 54 ASP N N 54 123.165 123.165 118.154 5.011 17822 1610 1 3 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.399 -0.070 17822 1611 1 3 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.027 0.180 17822 1612 1 3 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.892 -1.787 17822 1613 1 3 . 1 1 54 54 ASP H H 54 8.156 8.156 7.714 0.442 17822 1614 1 3 . 1 1 55 55 GLU N N 55 122.017 122.017 119.519 2.498 17822 1615 1 3 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.031 -0.155 17822 1616 1 3 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.087 -0.504 17822 1617 1 3 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.471 -0.452 17822 1618 1 3 . 1 1 55 55 GLU H H 55 8.221 8.221 7.606 0.615 17822 1619 1 3 . 1 1 56 56 PHE N N 56 123.334 123.334 121.287 2.047 17822 1620 1 3 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.224 0.457 17822 1621 1 3 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.321 0.195 17822 1622 1 3 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.805 0.407 17822 1623 1 3 . 1 1 56 56 PHE H H 56 8.711 8.711 8.139 0.572 17822 1624 1 3 . 1 1 57 57 GLY N N 57 107.156 107.156 105.942 1.214 17822 1625 1 3 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.304 0.179 17822 1626 1 3 . 1 1 57 57 GLY H H 57 7.985 7.985 8.013 -0.028 17822 1627 1 3 . 1 1 58 58 THR N N 58 118.940 118.940 116.871 2.069 17822 1628 1 3 . 1 1 58 58 THR HA H 58 4.062 4.062 4.175 -0.113 17822 1629 1 3 . 1 1 58 58 THR CA C 58 65.406 65.406 65.498 -0.092 17822 1630 1 3 . 1 1 58 58 THR CB C 58 68.408 68.408 68.986 -0.578 17822 1631 1 3 . 1 1 58 58 THR H H 58 7.992 7.992 7.713 0.279 17822 1632 1 3 . 1 1 59 59 ALA N N 59 126.365 126.365 124.575 1.790 17822 1633 1 3 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.100 -0.172 17822 1634 1 3 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.474 -0.535 17822 1635 1 3 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.962 0.189 17822 1636 1 3 . 1 1 59 59 ALA H H 59 8.351 8.351 7.892 0.459 17822 1637 1 3 . 1 1 60 60 SER N N 60 112.435 112.435 112.908 -0.473 17822 1638 1 3 . 1 1 60 60 SER HA H 60 4.632 4.632 4.148 0.484 17822 1639 1 3 . 1 1 60 60 SER CA C 60 61.220 61.220 60.013 1.207 17822 1640 1 3 . 1 1 60 60 SER CB C 60 62.686 62.686 63.019 -0.333 17822 1641 1 3 . 1 1 60 60 SER H H 60 7.459 7.459 7.805 -0.346 17822 1642 1 3 . 1 1 61 61 ASN N N 61 116.971 116.971 118.209 -1.238 17822 1643 1 3 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.660 -0.147 17822 1644 1 3 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.610 -0.588 17822 1645 1 3 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.085 -0.080 17822 1646 1 3 . 1 1 61 61 ASN H H 61 7.372 7.372 7.464 -0.092 17822 1647 1 3 . 1 1 62 62 ILE N N 62 123.980 123.980 122.047 1.933 17822 1648 1 3 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.840 -0.204 17822 1649 1 3 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.210 1.218 17822 1650 1 3 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.941 -0.511 17822 1651 1 3 . 1 1 62 62 ILE H H 62 7.461 7.461 7.348 0.113 17822 1652 1 3 . 1 1 63 63 LYS N N 63 128.982 128.982 125.944 3.038 17822 1653 1 3 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.072 -0.275 17822 1654 1 3 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.165 0.533 17822 1655 1 3 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.499 0.207 17822 1656 1 3 . 1 1 63 63 LYS H H 63 8.417 8.417 8.318 0.099 17822 1657 1 3 . 1 1 64 64 SER N N 64 114.306 114.306 118.076 -3.770 17822 1658 1 3 . 1 1 64 64 SER HA H 64 4.616 4.616 4.534 0.082 17822 1659 1 3 . 1 1 64 64 SER CA C 64 56.749 56.749 58.006 -1.257 17822 1660 1 3 . 1 1 64 64 SER CB C 64 62.962 62.962 63.164 -0.202 17822 1661 1 3 . 1 1 64 64 SER H H 64 7.599 7.599 8.039 -0.440 17822 1662 1 3 . 1 1 65 65 ARG N N 65 132.125 132.125 128.084 4.041 17822 1663 1 3 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.888 0.418 17822 1664 1 3 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.779 0.124 17822 1665 1 3 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.877 3.221 17822 1666 1 3 . 1 1 65 65 ARG H H 65 8.689 8.689 8.737 -0.048 17822 1667 1 3 . 1 1 66 66 VAL N N 66 116.947 116.947 118.819 -1.872 17822 1668 1 3 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.591 -0.040 17822 1669 1 3 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.641 -1.178 17822 1670 1 3 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.036 0.550 17822 1671 1 3 . 1 1 66 66 VAL H H 66 7.946 7.946 8.250 -0.304 17822 1672 1 3 . 1 1 67 67 ASN N N 67 119.499 119.499 117.246 2.253 17822 1673 1 3 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.351 0.061 17822 1674 1 3 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.260 -0.887 17822 1675 1 3 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.193 -0.157 17822 1676 1 3 . 1 1 67 67 ASN H H 67 7.386 7.386 7.752 -0.366 17822 1677 1 3 . 1 1 68 68 ARG N N 68 122.132 122.132 121.869 0.263 17822 1678 1 3 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.932 -0.338 17822 1679 1 3 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.479 0.319 17822 1680 1 3 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.032 0.527 17822 1681 1 3 . 1 1 68 68 ARG H H 68 8.566 8.566 7.694 0.872 17822 1682 1 3 . 1 1 69 69 LEU N N 69 116.564 116.564 118.109 -1.545 17822 1683 1 3 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.203 -0.420 17822 1684 1 3 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.328 0.567 17822 1685 1 3 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.957 -0.348 17822 1686 1 3 . 1 1 69 69 LEU H H 69 8.167 8.167 8.665 -0.498 17822 1687 1 3 . 1 1 70 70 SER N N 70 116.805 116.805 114.056 2.749 17822 1688 1 3 . 1 1 70 70 SER HA H 70 4.132 4.132 4.299 -0.167 17822 1689 1 3 . 1 1 70 70 SER CA C 70 61.450 61.450 61.370 0.080 17822 1690 1 3 . 1 1 70 70 SER CB C 70 62.635 62.635 63.303 -0.668 17822 1691 1 3 . 1 1 70 70 SER H H 70 7.589 7.589 7.714 -0.125 17822 1692 1 3 . 1 1 71 71 VAL N N 71 124.991 124.991 123.545 1.446 17822 1693 1 3 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.945 -0.462 17822 1694 1 3 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.255 1.584 17822 1695 1 3 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.813 -0.164 17822 1696 1 3 . 1 1 71 71 VAL H H 71 7.934 7.934 8.278 -0.344 17822 1697 1 3 . 1 1 72 72 LEU N N 72 118.680 118.680 119.356 -0.676 17822 1698 1 3 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.113 -0.392 17822 1699 1 3 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.555 0.684 17822 1700 1 3 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.147 -0.849 17822 1701 1 3 . 1 1 72 72 LEU H H 72 8.354 8.354 8.800 -0.446 17822 1702 1 3 . 1 1 73 73 GLY N N 73 106.674 106.674 106.119 0.555 17822 1703 1 3 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.027 -0.082 17822 1704 1 3 . 1 1 73 73 GLY H H 73 8.052 8.052 7.847 0.205 17822 1705 1 3 . 1 1 74 74 ALA N N 74 127.313 127.313 125.178 2.135 17822 1706 1 3 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.193 -0.040 17822 1707 1 3 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.139 1.234 17822 1708 1 3 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.614 -0.808 17822 1709 1 3 . 1 1 74 74 ALA H H 74 7.784 7.784 7.442 0.342 17822 1710 1 3 . 1 1 75 75 ILE N N 75 119.310 119.310 119.217 0.093 17822 1711 1 3 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.592 -0.230 17822 1712 1 3 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.886 0.724 17822 1713 1 3 . 1 1 75 75 ILE CB C 75 38.424 38.424 37.989 0.435 17822 1714 1 3 . 1 1 75 75 ILE H H 75 8.638 8.638 8.136 0.502 17822 1715 1 3 . 1 1 76 76 THR N N 76 116.205 116.205 112.582 3.623 17822 1716 1 3 . 1 1 76 76 THR HA H 76 4.227 4.227 3.881 0.346 17822 1717 1 3 . 1 1 76 76 THR CA C 76 66.782 66.782 66.819 -0.037 17822 1718 1 3 . 1 1 76 76 THR CB C 76 68.478 68.478 68.404 0.074 17822 1719 1 3 . 1 1 76 76 THR H H 76 8.317 8.317 8.086 0.231 17822 1720 1 3 . 1 1 77 77 SER N N 77 118.405 118.405 117.795 0.610 17822 1721 1 3 . 1 1 77 77 SER HA H 77 4.173 4.173 4.210 -0.037 17822 1722 1 3 . 1 1 77 77 SER CA C 77 62.482 62.482 61.513 0.969 17822 1723 1 3 . 1 1 77 77 SER CB C 77 63.484 63.484 63.104 0.380 17822 1724 1 3 . 1 1 77 77 SER H H 77 7.843 7.843 7.618 0.225 17822 1725 1 3 . 1 1 78 78 VAL N N 78 124.171 124.171 121.963 2.208 17822 1726 1 3 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.659 -0.086 17822 1727 1 3 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.484 0.240 17822 1728 1 3 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.326 -0.342 17822 1729 1 3 . 1 1 78 78 VAL H H 78 8.153 8.153 8.348 -0.195 17822 1730 1 3 . 1 1 79 79 GLN N N 79 120.008 120.008 118.648 1.360 17822 1731 1 3 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.894 0.035 17822 1732 1 3 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.723 -0.337 17822 1733 1 3 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.324 0.455 17822 1734 1 3 . 1 1 79 79 GLN H H 79 8.688 8.688 8.730 -0.042 17822 1735 1 3 . 1 1 80 80 GLN N N 80 116.870 116.870 117.025 -0.155 17822 1736 1 3 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.110 -0.335 17822 1737 1 3 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.622 -0.096 17822 1738 1 3 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.562 -0.585 17822 1739 1 3 . 1 1 80 80 GLN H H 80 7.850 7.850 7.792 0.058 17822 1740 1 3 . 1 1 81 81 ARG N N 81 119.074 119.074 119.720 -0.646 17822 1741 1 3 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.219 -0.227 17822 1742 1 3 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.172 -1.538 17822 1743 1 3 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.381 -2.059 17822 1744 1 3 . 1 1 81 81 ARG H H 81 7.520 7.520 7.838 -0.318 17822 1745 1 3 . 1 1 82 82 LEU N N 82 117.238 117.238 119.857 -2.619 17822 1746 1 3 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.159 -0.268 17822 1747 1 3 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.373 -0.936 17822 1748 1 3 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.050 -0.240 17822 1749 1 3 . 1 1 82 82 LEU H H 82 8.189 8.189 8.176 0.013 17822 1750 1 3 . 1 1 83 83 LYS N N 83 114.899 114.899 119.660 -4.761 17822 1751 1 3 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.088 -0.143 17822 1752 1 3 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.157 -1.491 17822 1753 1 3 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.078 -0.091 17822 1754 1 3 . 1 1 83 83 LYS H H 83 7.064 7.064 7.663 -0.599 17822 1755 1 3 . 1 1 84 84 LEU N N 84 117.840 117.840 118.879 -1.039 17822 1756 1 3 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.047 -0.174 17822 1757 1 3 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.997 -1.682 17822 1758 1 3 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.902 -0.973 17822 1759 1 3 . 1 1 84 84 LEU H H 84 7.271 7.271 8.026 -0.755 17822 1760 1 3 . 1 1 85 85 TYR N N 85 119.720 119.720 117.019 2.701 17822 1761 1 3 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.338 -0.083 17822 1762 1 3 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.494 -1.427 17822 1763 1 3 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.800 0.268 17822 1764 1 3 . 1 1 85 85 TYR H H 85 7.633 7.633 7.677 -0.044 17822 1765 1 3 . 1 1 86 86 ASN N N 86 119.638 119.638 115.252 4.386 17822 1766 1 3 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.375 0.099 17822 1767 1 3 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.472 -0.590 17822 1768 1 3 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.040 0.702 17822 1769 1 3 . 1 1 86 86 ASN H H 86 8.622 8.622 8.286 0.336 17822 1770 1 3 . 1 1 87 87 LYS N N 87 116.321 116.321 118.045 -1.724 17822 1771 1 3 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.576 -0.078 17822 1772 1 3 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.745 -0.576 17822 1773 1 3 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.887 -1.214 17822 1774 1 3 . 1 1 87 87 LYS H H 87 7.631 7.631 7.770 -0.139 17822 1775 1 3 . 1 1 88 88 VAL N N 88 125.141 125.141 118.152 6.989 17822 1776 1 3 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.517 -0.895 17822 1777 1 3 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.663 3.303 17822 1778 1 3 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.627 0.661 17822 1779 1 3 . 1 1 88 88 VAL H H 88 8.357 8.357 8.446 -0.089 17822 1780 1 3 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.691 -0.438 17822 1781 1 3 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.326 2.014 17822 1782 1 3 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.948 0.606 17822 1783 1 3 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.220 0.280 17822 1784 1 3 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.200 0.779 17822 1785 1 3 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.032 0.156 17822 1786 1 3 . 1 1 91 91 ASN N N 91 112.735 112.735 116.660 -3.925 17822 1787 1 3 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.483 0.172 17822 1788 1 3 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.387 -1.512 17822 1789 1 3 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.212 -0.769 17822 1790 1 3 . 1 1 91 91 ASN H H 91 9.163 9.163 8.437 0.726 17822 1791 1 3 . 1 1 92 92 GLY N N 92 108.893 108.893 106.560 2.333 17822 1792 1 3 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.611 -1.170 17822 1793 1 3 . 1 1 92 92 GLY H H 92 7.898 7.898 7.141 0.757 17822 1794 1 3 . 1 1 93 93 LEU N N 93 117.751 117.751 126.169 -8.418 17822 1795 1 3 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.233 0.091 17822 1796 1 3 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.323 -0.556 17822 1797 1 3 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.257 5.270 17822 1798 1 3 . 1 1 93 93 LEU H H 93 8.508 8.508 7.661 0.847 17822 1799 1 3 . 1 1 94 94 VAL N N 94 126.296 126.296 128.802 -2.506 17822 1800 1 3 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.718 -0.368 17822 1801 1 3 . 1 1 94 94 VAL CA C 94 60.475 60.475 60.938 -0.463 17822 1802 1 3 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.612 -0.444 17822 1803 1 3 . 1 1 94 94 VAL H H 94 8.168 8.168 7.929 0.239 17822 1804 1 3 . 1 1 95 95 VAL N N 95 125.531 125.531 118.053 7.478 17822 1805 1 3 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.993 -0.853 17822 1806 1 3 . 1 1 95 95 VAL CA C 95 60.303 60.303 60.067 0.236 17822 1807 1 3 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.466 0.729 17822 1808 1 3 . 1 1 95 95 VAL H H 95 8.744 8.744 8.211 0.533 17822 1809 1 3 . 1 1 96 96 TYR N N 96 123.577 123.577 124.521 -0.944 17822 1810 1 3 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.638 -0.306 17822 1811 1 3 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.990 0.587 17822 1812 1 3 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.373 -0.753 17822 1813 1 3 . 1 1 96 96 TYR H H 96 8.698 8.698 9.262 -0.564 17822 1814 1 3 . 1 1 97 97 CYS N N 97 120.144 120.144 123.305 -3.161 17822 1815 1 3 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.761 -0.213 17822 1816 1 3 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.030 -0.453 17822 1817 1 3 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.105 1.681 17822 1818 1 3 . 1 1 97 97 CYS H H 97 8.796 8.796 8.284 0.512 17822 1819 1 3 . 1 1 98 98 GLY N N 98 112.534 112.534 114.234 -1.700 17822 1820 1 3 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.591 0.207 17822 1821 1 3 . 1 1 98 98 GLY H H 98 8.776 8.776 8.212 0.564 17822 1822 1 3 . 1 1 99 99 THR N N 99 119.083 119.083 115.601 3.482 17822 1823 1 3 . 1 1 99 99 THR HA H 99 4.821 4.821 5.457 -0.636 17822 1824 1 3 . 1 1 99 99 THR CA C 99 62.294 62.294 61.908 0.386 17822 1825 1 3 . 1 1 99 99 THR CB C 99 69.781 69.781 71.482 -1.701 17822 1826 1 3 . 1 1 99 99 THR H H 99 8.168 8.168 8.207 -0.039 17822 1827 1 3 . 1 1 100 100 ILE N N 100 122.250 122.250 121.701 0.549 17822 1828 1 3 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.738 -0.161 17822 1829 1 3 . 1 1 100 100 ILE CA C 100 58.583 58.583 59.355 -0.772 17822 1830 1 3 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.770 -0.262 17822 1831 1 3 . 1 1 100 100 ILE H H 100 8.838 8.838 8.583 0.255 17822 1832 1 3 . 1 1 101 101 VAL N N 101 120.622 120.622 124.204 -3.582 17822 1833 1 3 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.918 -0.268 17822 1834 1 3 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.351 1.239 17822 1835 1 3 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.417 -1.528 17822 1836 1 3 . 1 1 101 101 VAL H H 101 8.310 8.310 8.347 -0.037 17822 1837 1 3 . 1 1 102 102 THR N N 102 118.661 118.661 120.413 -1.752 17822 1838 1 3 . 1 1 102 102 THR HA H 102 4.658 4.658 4.631 0.027 17822 1839 1 3 . 1 1 102 102 THR CA C 102 60.590 60.590 60.109 0.481 17822 1840 1 3 . 1 1 102 102 THR CB C 102 71.189 71.189 70.275 0.914 17822 1841 1 3 . 1 1 102 102 THR H H 102 8.867 8.867 8.106 0.761 17822 1842 1 3 . 1 1 103 103 GLU N N 103 121.906 121.906 121.746 0.160 17822 1843 1 3 . 1 1 103 103 GLU HA H 103 3.918 3.918 3.982 -0.064 17822 1844 1 3 . 1 1 103 103 GLU CA C 103 58.927 58.927 59.303 -0.376 17822 1845 1 3 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.345 -0.415 17822 1846 1 3 . 1 1 103 103 GLU H H 103 9.243 9.243 8.846 0.397 17822 1847 1 3 . 1 1 104 104 GLU N N 104 116.013 116.013 119.657 -3.644 17822 1848 1 3 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.132 0.042 17822 1849 1 3 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.487 -0.254 17822 1850 1 3 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.355 0.112 17822 1851 1 3 . 1 1 104 104 GLU H H 104 7.716 7.716 7.865 -0.149 17822 1852 1 3 . 1 1 105 105 GLY N N 105 109.001 109.001 107.856 1.145 17822 1853 1 3 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.312 -0.607 17822 1854 1 3 . 1 1 105 105 GLY H H 105 8.045 8.045 8.272 -0.227 17822 1855 1 3 . 1 1 106 106 LYS N N 106 119.559 119.559 119.453 0.106 17822 1856 1 3 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.510 -0.179 17822 1857 1 3 . 1 1 106 106 LYS CA C 106 54.455 54.455 55.066 -0.611 17822 1858 1 3 . 1 1 106 106 LYS CB C 106 33.422 33.422 32.892 0.530 17822 1859 1 3 . 1 1 106 106 LYS H H 106 6.924 6.924 7.773 -0.849 17822 1860 1 3 . 1 1 107 107 GLU N N 107 121.771 121.771 124.804 -3.033 17822 1861 1 3 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.384 0.570 17822 1862 1 3 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.365 -0.763 17822 1863 1 3 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.878 0.407 17822 1864 1 3 . 1 1 107 107 GLU H H 107 8.371 8.371 8.723 -0.352 17822 1865 1 3 . 1 1 108 108 LYS N N 108 125.216 125.216 122.391 2.825 17822 1866 1 3 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.480 -0.040 17822 1867 1 3 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.181 -0.095 17822 1868 1 3 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.662 1.253 17822 1869 1 3 . 1 1 108 108 LYS H H 108 8.946 8.946 8.377 0.569 17822 1870 1 3 . 1 1 109 109 LYS N N 109 125.136 125.136 128.303 -3.167 17822 1871 1 3 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.475 0.161 17822 1872 1 3 . 1 1 109 109 LYS CA C 109 55.774 55.774 55.922 -0.148 17822 1873 1 3 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.397 0.403 17822 1874 1 3 . 1 1 109 109 LYS H H 109 8.548 8.548 8.611 -0.063 17822 1875 1 3 . 1 1 110 110 VAL N N 110 125.626 125.626 127.965 -2.339 17822 1876 1 3 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.129 -0.053 17822 1877 1 3 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.197 -0.633 17822 1878 1 3 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.117 1.775 17822 1879 1 3 . 1 1 110 110 VAL H H 110 8.850 8.850 9.029 -0.179 17822 1880 1 3 . 1 1 111 111 ASN N N 111 126.837 126.837 126.275 0.562 17822 1881 1 3 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.426 -0.138 17822 1882 1 3 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.196 1.113 17822 1883 1 3 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.183 0.286 17822 1884 1 3 . 1 1 111 111 ASN H H 111 8.711 8.711 8.391 0.320 17822 1885 1 3 . 1 1 112 112 ILE N N 112 125.729 125.729 124.469 1.260 17822 1886 1 3 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.515 -0.131 17822 1887 1 3 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.179 -0.990 17822 1888 1 3 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.163 -0.311 17822 1889 1 3 . 1 1 112 112 ILE H H 112 8.931 8.931 8.497 0.434 17822 1890 1 3 . 1 1 113 113 ASP N N 113 122.734 122.734 123.632 -0.898 17822 1891 1 3 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.966 -0.176 17822 1892 1 3 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.476 -1.271 17822 1893 1 3 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.620 -0.099 17822 1894 1 3 . 1 1 113 113 ASP H H 113 8.116 8.116 8.473 -0.357 17822 1895 1 3 . 1 1 114 114 PHE N N 114 116.385 116.385 118.163 -1.778 17822 1896 1 3 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.878 -0.175 17822 1897 1 3 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.741 -0.279 17822 1898 1 3 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.742 -1.036 17822 1899 1 3 . 1 1 114 114 PHE H H 114 8.613 8.613 8.280 0.333 17822 1900 1 3 . 1 1 115 115 GLU N N 115 124.642 124.642 120.904 3.738 17822 1901 1 3 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.629 0.164 17822 1902 1 3 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.934 -1.231 17822 1903 1 3 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.650 1.475 17822 1904 1 3 . 1 1 115 115 GLU H H 115 8.591 8.591 8.355 0.236 17822 1905 1 3 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.218 0.365 17822 1906 1 3 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.291 0.060 17822 1907 1 3 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.456 -1.494 17822 1908 1 3 . 1 1 117 117 PHE N N 117 116.676 116.676 112.266 4.410 17822 1909 1 3 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.610 -0.416 17822 1910 1 3 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.541 0.098 17822 1911 1 3 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.065 -1.313 17822 1912 1 3 . 1 1 117 117 PHE H H 117 7.842 7.842 8.147 -0.305 17822 1913 1 3 . 1 1 118 118 LYS N N 118 118.589 118.589 118.904 -0.315 17822 1914 1 3 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.331 -0.148 17822 1915 1 3 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.577 -0.243 17822 1916 1 3 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.550 1.643 17822 1917 1 3 . 1 1 118 118 LYS H H 118 6.889 6.889 6.949 -0.060 17822 1918 1 3 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.499 0.024 17822 1919 1 3 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.169 0.447 17822 1920 1 3 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.452 -0.280 17822 1921 1 3 . 1 1 120 120 ILE N N 120 121.968 121.968 120.629 1.339 17822 1922 1 3 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.203 -0.297 17822 1923 1 3 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.713 1.705 17822 1924 1 3 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.778 0.027 17822 1925 1 3 . 1 1 120 120 ILE H H 120 7.440 7.440 7.720 -0.280 17822 1926 1 3 . 1 1 121 121 ASN N N 121 120.951 120.951 125.352 -4.401 17822 1927 1 3 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.485 0.147 17822 1928 1 3 . 1 1 121 121 ASN CA C 121 53.882 53.882 54.703 -0.821 17822 1929 1 3 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.949 0.349 17822 1930 1 3 . 1 1 121 121 ASN H H 121 8.112 8.112 8.601 -0.489 17822 1931 1 3 . 1 1 122 122 GLN N N 122 118.826 118.826 115.116 3.710 17822 1932 1 3 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.402 0.010 17822 1933 1 3 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.815 -0.417 17822 1934 1 3 . 1 1 122 122 GLN CB C 122 31.486 31.486 29.575 1.911 17822 1935 1 3 . 1 1 122 122 GLN H H 122 7.009 7.009 7.661 -0.652 17822 1936 1 3 . 1 1 123 123 PHE N N 123 122.795 122.795 118.799 3.996 17822 1937 1 3 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.477 0.237 17822 1938 1 3 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.109 -0.902 17822 1939 1 3 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.490 1.228 17822 1940 1 3 . 1 1 123 123 PHE H H 123 8.335 8.335 8.739 -0.404 17822 1941 1 3 . 1 1 124 124 MET N N 124 126.990 126.990 126.834 0.156 17822 1942 1 3 . 1 1 124 124 MET HA H 124 3.984 3.984 4.522 -0.538 17822 1943 1 3 . 1 1 124 124 MET CA C 124 54.799 54.799 54.287 0.512 17822 1944 1 3 . 1 1 124 124 MET CB C 124 37.330 37.330 36.343 0.987 17822 1945 1 3 . 1 1 124 124 MET H H 124 7.992 7.992 8.495 -0.503 17822 1946 1 3 . 1 1 125 125 TYR N N 125 122.216 122.216 123.597 -1.381 17822 1947 1 3 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.523 0.381 17822 1948 1 3 . 1 1 125 125 TYR CA C 125 56.749 56.749 56.726 0.023 17822 1949 1 3 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.910 0.243 17822 1950 1 3 . 1 1 125 125 TYR H H 125 7.552 7.552 8.091 -0.539 17822 1951 1 3 . 1 1 126 126 PHE N N 126 124.584 124.584 118.711 5.873 17822 1952 1 3 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.626 -0.551 17822 1953 1 3 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.705 0.700 17822 1954 1 3 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.640 3.779 17822 1955 1 3 . 1 1 126 126 PHE H H 126 8.271 8.271 6.560 1.711 17822 1956 1 3 . 1 1 127 127 CYS N N 127 124.011 124.011 120.537 3.474 17822 1957 1 3 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.546 0.250 17822 1958 1 3 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.820 0.020 17822 1959 1 3 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.590 -4.659 17822 1960 1 3 . 1 1 127 127 CYS H H 127 8.442 8.442 8.926 -0.484 17822 1961 1 3 . 1 1 128 128 ASP N N 128 127.486 127.486 123.000 4.486 17822 1962 1 3 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.586 0.420 17822 1963 1 3 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.458 -1.952 17822 1964 1 3 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.232 2.164 17822 1965 1 3 . 1 1 128 128 ASP H H 128 8.907 8.907 8.479 0.428 17822 1966 1 3 . 1 1 129 129 ASN N N 129 119.092 119.092 118.950 0.142 17822 1967 1 3 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.360 0.304 17822 1968 1 3 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.236 -1.501 17822 1969 1 3 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.855 0.047 17822 1970 1 3 . 1 1 129 129 ASN H H 129 9.136 9.136 8.508 0.628 17822 1971 1 3 . 1 1 130 130 LYS N N 130 114.367 114.367 113.881 0.486 17822 1972 1 3 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.393 -0.230 17822 1973 1 3 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.332 -1.106 17822 1974 1 3 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.766 0.326 17822 1975 1 3 . 1 1 130 130 LYS H H 130 7.115 7.115 7.177 -0.062 17822 1976 1 3 . 1 1 131 131 PHE N N 131 121.117 121.117 120.940 0.177 17822 1977 1 3 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.560 -0.045 17822 1978 1 3 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.173 -2.023 17822 1979 1 3 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.071 -0.982 17822 1980 1 3 . 1 1 131 131 PHE H H 131 9.291 9.291 8.736 0.555 17822 1981 1 3 . 1 1 132 132 HIS N N 132 121.897 121.897 122.938 -1.041 17822 1982 1 3 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.847 -0.464 17822 1983 1 3 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.560 0.443 17822 1984 1 3 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.287 -1.944 17822 1985 1 3 . 1 1 132 132 HIS H H 132 9.026 9.026 8.751 0.275 17822 1986 1 3 . 1 1 133 133 THR N N 133 117.915 117.915 118.389 -0.474 17822 1987 1 3 . 1 1 133 133 THR HA H 133 4.612 4.612 4.760 -0.148 17822 1988 1 3 . 1 1 133 133 THR CA C 133 61.679 61.679 61.750 -0.071 17822 1989 1 3 . 1 1 133 133 THR CB C 133 73.856 73.856 70.855 3.001 17822 1990 1 3 . 1 1 133 133 THR H H 133 8.700 8.700 8.408 0.292 17822 1991 1 3 . 1 1 134 134 GLU N N 134 129.072 129.072 127.151 1.921 17822 1992 1 3 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.213 -0.234 17822 1993 1 3 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.413 1.120 17822 1994 1 3 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.736 -2.233 17822 1995 1 3 . 1 1 134 134 GLU H H 134 10.805 10.805 8.750 2.055 17822 1996 1 3 . 1 1 135 135 ALA N N 135 122.099 122.099 122.265 -0.166 17822 1997 1 3 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.061 0.010 17822 1998 1 3 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.139 -0.626 17822 1999 1 3 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.875 0.886 17822 2000 1 3 . 1 1 135 135 ALA H H 135 8.590 8.590 8.580 0.010 17822 2001 1 3 . 1 1 136 136 LEU N N 136 116.720 116.720 118.033 -1.313 17822 2002 1 3 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.991 0.063 17822 2003 1 3 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.983 -1.405 17822 2004 1 3 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.481 -0.170 17822 2005 1 3 . 1 1 136 136 LEU H H 136 7.471 7.471 7.797 -0.326 17822 2006 1 3 . 1 1 137 137 THR N N 137 117.177 117.177 112.569 4.608 17822 2007 1 3 . 1 1 137 137 THR HA H 137 4.005 4.005 4.040 -0.035 17822 2008 1 3 . 1 1 137 137 THR CA C 137 66.610 66.610 65.117 1.493 17822 2009 1 3 . 1 1 137 137 THR CB C 137 67.980 67.980 68.863 -0.883 17822 2010 1 3 . 1 1 137 137 THR H H 137 8.044 8.044 7.619 0.425 17822 2011 1 3 . 1 1 138 138 ALA N N 138 124.719 124.719 123.766 0.953 17822 2012 1 3 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.331 -0.330 17822 2013 1 3 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.465 0.449 17822 2014 1 3 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.633 -1.136 17822 2015 1 3 . 1 1 138 138 ALA H H 138 7.695 7.695 8.142 -0.447 17822 2016 1 3 . 1 1 139 139 LEU N N 139 120.059 120.059 120.190 -0.131 17822 2017 1 3 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.995 0.004 17822 2018 1 3 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.064 -0.570 17822 2019 1 3 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.928 0.884 17822 2020 1 3 . 1 1 139 139 LEU H H 139 7.345 7.345 8.307 -0.962 17822 2021 1 3 . 1 1 140 140 LEU N N 140 117.771 117.771 117.851 -0.080 17822 2022 1 3 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.957 -0.000 17822 2023 1 3 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.506 -1.528 17822 2024 1 3 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.447 -0.208 17822 2025 1 3 . 1 1 140 140 LEU H H 140 7.748 7.748 7.932 -0.184 17822 2026 1 3 . 1 1 141 141 SER N N 141 114.778 114.778 112.532 2.246 17822 2027 1 3 . 1 1 141 141 SER HA H 141 4.107 4.107 4.231 -0.124 17822 2028 1 3 . 1 1 141 141 SER CA C 141 60.647 60.647 61.182 -0.535 17822 2029 1 3 . 1 1 141 141 SER CB C 141 62.650 62.650 62.747 -0.097 17822 2030 1 3 . 1 1 141 141 SER H H 141 7.807 7.807 7.856 -0.049 17822 2031 1 3 . 1 1 142 142 ASP N N 142 121.827 121.827 121.820 0.007 17822 2032 1 3 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.517 -0.159 17822 2033 1 3 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.279 -0.218 17822 2034 1 3 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.387 -0.778 17822 2035 1 3 . 1 1 142 142 ASP H H 142 7.878 7.878 7.771 0.107 17822 2036 1 3 . 1 1 143 143 LEU N N 143 120.220 120.220 119.687 0.533 17822 2037 1 3 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.293 -0.321 17822 2038 1 3 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.830 -0.367 17822 2039 1 3 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.735 -0.521 17822 2040 1 3 . 1 1 143 143 LEU H H 143 7.846 7.846 8.241 -0.395 17822 2041 1 4 . 1 1 2 2 ALA N N 2 125.964 125.964 125.788 0.176 17822 2042 1 4 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.536 0.076 17822 2043 1 4 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.795 0.497 17822 2044 1 4 . 1 1 2 2 ALA H H 2 8.065 8.065 8.022 0.043 17822 2045 1 4 . 1 1 3 3 ASP N N 3 119.188 119.188 123.508 -4.320 17822 2046 1 4 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.834 -0.224 17822 2047 1 4 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.971 -0.089 17822 2048 1 4 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.044 -0.234 17822 2049 1 4 . 1 1 3 3 ASP H H 3 8.203 8.203 8.592 -0.389 17822 2050 1 4 . 1 1 4 4 ASP N N 4 121.607 121.607 121.602 0.005 17822 2051 1 4 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.992 -0.620 17822 2052 1 4 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.208 -0.447 17822 2053 1 4 . 1 1 4 4 ASP CB C 4 40.910 40.910 43.587 -2.677 17822 2054 1 4 . 1 1 4 4 ASP H H 4 7.954 7.954 8.113 -0.159 17822 2055 1 4 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.454 -0.202 17822 2056 1 4 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.540 -1.171 17822 2057 1 4 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.077 -0.218 17822 2058 1 4 . 1 1 6 6 SER N N 6 115.864 115.864 115.234 0.630 17822 2059 1 4 . 1 1 6 6 SER HA H 6 4.252 4.252 4.237 0.015 17822 2060 1 4 . 1 1 6 6 SER CA C 6 58.870 58.870 60.237 -1.367 17822 2061 1 4 . 1 1 6 6 SER CB C 6 63.368 63.368 62.294 1.074 17822 2062 1 4 . 1 1 6 6 SER H H 6 8.310 8.310 8.420 -0.110 17822 2063 1 4 . 1 1 7 7 ALA N N 7 125.955 125.955 123.948 2.007 17822 2064 1 4 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.146 -0.147 17822 2065 1 4 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.061 -0.752 17822 2066 1 4 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.113 0.438 17822 2067 1 4 . 1 1 7 7 ALA H H 7 7.854 7.854 7.475 0.379 17822 2068 1 4 . 1 1 8 8 ALA N N 8 122.354 122.354 121.290 1.064 17822 2069 1 4 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.989 -0.192 17822 2070 1 4 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.123 -1.528 17822 2071 1 4 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.418 0.034 17822 2072 1 4 . 1 1 8 8 ALA H H 8 7.910 7.910 7.853 0.057 17822 2073 1 4 . 1 1 9 9 ASP N N 9 119.431 119.431 117.777 1.654 17822 2074 1 4 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.416 -0.097 17822 2075 1 4 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.666 -2.523 17822 2076 1 4 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.962 -0.339 17822 2077 1 4 . 1 1 9 9 ASP H H 9 7.970 7.970 7.905 0.065 17822 2078 1 4 . 1 1 10 10 ARG N N 10 122.263 122.263 120.359 1.904 17822 2079 1 4 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.216 -0.380 17822 2080 1 4 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.231 -1.450 17822 2081 1 4 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.304 -0.423 17822 2082 1 4 . 1 1 10 10 ARG H H 10 8.036 8.036 7.898 0.138 17822 2083 1 4 . 1 1 11 11 ASN N N 11 118.325 118.325 117.017 1.308 17822 2084 1 4 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.447 -0.144 17822 2085 1 4 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.950 -0.806 17822 2086 1 4 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.447 -0.645 17822 2087 1 4 . 1 1 11 11 ASN H H 11 8.077 8.077 7.750 0.327 17822 2088 1 4 . 1 1 12 12 VAL N N 12 122.103 122.103 121.343 0.760 17822 2089 1 4 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.574 1.041 17822 2090 1 4 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.421 -0.800 17822 2091 1 4 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.494 -0.008 17822 2092 1 4 . 1 1 12 12 VAL H H 12 7.741 7.741 7.643 0.098 17822 2093 1 4 . 1 1 13 13 GLU N N 13 120.785 120.785 119.461 1.324 17822 2094 1 4 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.862 -0.628 17822 2095 1 4 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.351 5.710 17822 2096 1 4 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.890 0.878 17822 2097 1 4 . 1 1 13 13 GLU H H 13 7.751 7.751 7.826 -0.075 17822 2098 1 4 . 1 1 14 14 ILE N N 14 120.199 120.199 120.146 0.053 17822 2099 1 4 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.490 0.298 17822 2100 1 4 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.567 -5.385 17822 2101 1 4 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.323 -1.329 17822 2102 1 4 . 1 1 14 14 ILE H H 14 7.650 7.650 7.149 0.501 17822 2103 1 4 . 1 1 15 15 TRP N N 15 120.828 120.828 117.591 3.237 17822 2104 1 4 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.618 -0.565 17822 2105 1 4 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.540 3.050 17822 2106 1 4 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.723 -0.279 17822 2107 1 4 . 1 1 15 15 TRP H H 15 7.759 7.759 7.148 0.611 17822 2108 1 4 . 1 1 16 16 LYS N N 16 119.063 119.063 122.286 -3.223 17822 2109 1 4 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.187 -0.697 17822 2110 1 4 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.099 1.870 17822 2111 1 4 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.008 0.170 17822 2112 1 4 . 1 1 16 16 LYS H H 16 7.963 7.963 7.766 0.197 17822 2113 1 4 . 1 1 17 17 ILE N N 17 120.609 120.609 119.587 1.022 17822 2114 1 4 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.868 -0.257 17822 2115 1 4 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.380 -0.924 17822 2116 1 4 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.541 -1.242 17822 2117 1 4 . 1 1 17 17 ILE H H 17 7.630 7.630 8.502 -0.872 17822 2118 1 4 . 1 1 18 18 LYS N N 18 121.687 121.687 119.206 2.481 17822 2119 1 4 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.044 -0.461 17822 2120 1 4 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.470 1.460 17822 2121 1 4 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.582 0.499 17822 2122 1 4 . 1 1 18 18 LYS H H 18 8.297 8.297 7.715 0.582 17822 2123 1 4 . 1 1 19 19 LYS N N 19 119.253 119.253 119.187 0.066 17822 2124 1 4 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.065 -0.448 17822 2125 1 4 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.584 0.402 17822 2126 1 4 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.133 -0.274 17822 2127 1 4 . 1 1 19 19 LYS H H 19 7.685 7.685 7.570 0.115 17822 2128 1 4 . 1 1 20 20 LEU N N 20 123.001 123.001 122.376 0.625 17822 2129 1 4 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.874 -0.049 17822 2130 1 4 . 1 1 20 20 LEU CA C 20 57.781 57.781 58.039 -0.259 17822 2131 1 4 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.004 -0.593 17822 2132 1 4 . 1 1 20 20 LEU H H 20 7.509 7.509 7.652 -0.143 17822 2133 1 4 . 1 1 21 21 ILE N N 21 119.392 119.392 118.271 1.121 17822 2134 1 4 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.666 -0.596 17822 2135 1 4 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.931 2.564 17822 2136 1 4 . 1 1 21 21 ILE CB C 21 38.203 38.203 36.982 1.221 17822 2137 1 4 . 1 1 21 21 ILE H H 21 8.474 8.474 7.777 0.697 17822 2138 1 4 . 1 1 22 22 LYS N N 22 117.524 117.524 118.660 -1.136 17822 2139 1 4 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.134 -0.328 17822 2140 1 4 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.540 0.273 17822 2141 1 4 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.067 -0.180 17822 2142 1 4 . 1 1 22 22 LYS H H 22 7.300 7.300 7.543 -0.243 17822 2143 1 4 . 1 1 23 23 SER N N 23 114.880 114.880 115.125 -0.245 17822 2144 1 4 . 1 1 23 23 SER HA H 23 4.008 4.008 4.340 -0.332 17822 2145 1 4 . 1 1 23 23 SER CA C 23 61.106 61.106 60.791 0.315 17822 2146 1 4 . 1 1 23 23 SER CB C 23 62.587 62.587 63.634 -1.047 17822 2147 1 4 . 1 1 23 23 SER H H 23 7.653 7.653 7.608 0.045 17822 2148 1 4 . 1 1 24 24 LEU N N 24 121.607 121.607 121.829 -0.222 17822 2149 1 4 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.424 0.448 17822 2150 1 4 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.775 -0.912 17822 2151 1 4 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.191 0.098 17822 2152 1 4 . 1 1 24 24 LEU H H 24 8.158 8.158 8.527 -0.369 17822 2153 1 4 . 1 1 25 25 GLU N N 25 119.392 119.392 117.595 1.797 17822 2154 1 4 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.205 -0.324 17822 2155 1 4 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.514 0.069 17822 2156 1 4 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.450 -0.270 17822 2157 1 4 . 1 1 25 25 GLU H H 25 8.344 8.344 7.774 0.570 17822 2158 1 4 . 1 1 26 26 ALA N N 26 119.228 119.228 119.726 -0.498 17822 2159 1 4 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.405 -0.288 17822 2160 1 4 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.630 0.360 17822 2161 1 4 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.564 -0.611 17822 2162 1 4 . 1 1 26 26 ALA H H 26 7.154 7.154 7.495 -0.341 17822 2163 1 4 . 1 1 27 27 ALA N N 27 121.417 121.417 123.851 -2.434 17822 2164 1 4 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.300 -0.230 17822 2165 1 4 . 1 1 27 27 ALA CA C 27 52.468 52.468 52.858 -0.390 17822 2166 1 4 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.448 -0.145 17822 2167 1 4 . 1 1 27 27 ALA H H 27 6.833 6.833 7.441 -0.608 17822 2168 1 4 . 1 1 28 28 ARG N N 28 123.986 123.986 121.913 2.073 17822 2169 1 4 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.513 -0.017 17822 2170 1 4 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.199 -1.030 17822 2171 1 4 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.813 0.148 17822 2172 1 4 . 1 1 28 28 ARG H H 28 8.679 8.679 8.293 0.386 17822 2173 1 4 . 1 1 29 29 GLY N N 29 109.466 109.466 107.775 1.691 17822 2174 1 4 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.860 -0.471 17822 2175 1 4 . 1 1 29 29 GLY H H 29 8.091 8.091 8.215 -0.124 17822 2176 1 4 . 1 1 30 30 ASN N N 30 120.048 120.048 116.704 3.344 17822 2177 1 4 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.601 0.054 17822 2178 1 4 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.083 -1.454 17822 2179 1 4 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.140 -1.338 17822 2180 1 4 . 1 1 30 30 ASN H H 30 8.419 8.419 8.618 -0.199 17822 2181 1 4 . 1 1 31 31 GLY N N 31 110.450 110.450 105.933 4.517 17822 2182 1 4 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.441 -0.755 17822 2183 1 4 . 1 1 31 31 GLY H H 31 8.071 8.071 8.576 -0.505 17822 2184 1 4 . 1 1 32 32 THR N N 32 112.929 112.929 116.516 -3.587 17822 2185 1 4 . 1 1 32 32 THR HA H 32 4.993 4.993 4.557 0.436 17822 2186 1 4 . 1 1 32 32 THR CA C 32 59.598 59.598 60.209 -0.611 17822 2187 1 4 . 1 1 32 32 THR H H 32 7.747 7.747 7.734 0.013 17822 2188 1 4 . 1 1 33 33 SER N N 33 115.208 115.208 115.516 -0.308 17822 2189 1 4 . 1 1 33 33 SER HA H 33 4.335 4.335 4.716 -0.381 17822 2190 1 4 . 1 1 33 33 SER CA C 33 58.067 58.067 57.998 0.069 17822 2191 1 4 . 1 1 33 33 SER CB C 33 64.572 64.572 65.153 -0.581 17822 2192 1 4 . 1 1 33 33 SER H H 33 7.701 7.701 8.418 -0.717 17822 2193 1 4 . 1 1 34 34 MET N N 34 120.869 120.869 122.434 -1.565 17822 2194 1 4 . 1 1 34 34 MET HA H 34 4.666 4.666 4.703 -0.037 17822 2195 1 4 . 1 1 34 34 MET CA C 34 54.799 54.799 54.508 0.291 17822 2196 1 4 . 1 1 34 34 MET CB C 34 34.700 34.700 34.269 0.431 17822 2197 1 4 . 1 1 34 34 MET H H 34 8.679 8.679 8.261 0.418 17822 2198 1 4 . 1 1 35 35 ILE N N 35 126.806 126.806 119.755 7.051 17822 2199 1 4 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.259 1.911 17822 2200 1 4 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.110 -0.208 17822 2201 1 4 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.468 -1.796 17822 2202 1 4 . 1 1 35 35 ILE H H 35 9.562 9.562 8.055 1.507 17822 2203 1 4 . 1 1 36 36 SER N N 36 122.217 122.217 121.235 0.982 17822 2204 1 4 . 1 1 36 36 SER HA H 36 4.968 4.968 5.119 -0.151 17822 2205 1 4 . 1 1 36 36 SER CA C 36 56.602 56.602 57.373 -0.771 17822 2206 1 4 . 1 1 36 36 SER CB C 36 64.572 64.572 63.913 0.659 17822 2207 1 4 . 1 1 36 36 SER H H 36 8.422 8.422 8.114 0.308 17822 2208 1 4 . 1 1 37 37 LEU N N 37 128.938 128.938 125.938 3.000 17822 2209 1 4 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.875 0.106 17822 2210 1 4 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.257 0.224 17822 2211 1 4 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.770 -0.394 17822 2212 1 4 . 1 1 37 37 LEU H H 37 8.916 8.916 7.622 1.294 17822 2213 1 4 . 1 1 38 38 ILE N N 38 128.296 128.296 115.168 13.128 17822 2214 1 4 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.946 0.026 17822 2215 1 4 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.554 0.291 17822 2216 1 4 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.073 -2.068 17822 2217 1 4 . 1 1 38 38 ILE H H 38 8.740 8.740 8.383 0.357 17822 2218 1 4 . 1 1 39 39 ILE N N 39 125.429 125.429 123.494 1.935 17822 2219 1 4 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.590 -0.191 17822 2220 1 4 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.607 -0.884 17822 2221 1 4 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.220 2.441 17822 2222 1 4 . 1 1 39 39 ILE H H 39 8.960 8.960 8.248 0.712 17822 2223 1 4 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.801 -0.394 17822 2224 1 4 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.537 5.645 17822 2225 1 4 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.103 0.269 17822 2226 1 4 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.523 -0.702 17822 2227 1 4 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.382 3.433 17822 2228 1 4 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.869 0.308 17822 2229 1 4 . 1 1 42 42 LYS N N 42 113.683 113.683 117.674 -3.991 17822 2230 1 4 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.405 -0.449 17822 2231 1 4 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.266 0.541 17822 2232 1 4 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.340 -2.158 17822 2233 1 4 . 1 1 42 42 LYS H H 42 8.004 8.004 8.307 -0.303 17822 2234 1 4 . 1 1 43 43 ASP N N 43 121.628 121.628 117.898 3.730 17822 2235 1 4 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.810 -0.375 17822 2236 1 4 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.133 -0.627 17822 2237 1 4 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.747 -1.532 17822 2238 1 4 . 1 1 43 43 ASP H H 43 7.290 7.290 7.464 -0.174 17822 2239 1 4 . 1 1 44 44 GLN N N 44 117.587 117.587 118.771 -1.184 17822 2240 1 4 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.577 -0.040 17822 2241 1 4 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.371 -0.432 17822 2242 1 4 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.854 -0.310 17822 2243 1 4 . 1 1 44 44 GLN H H 44 9.610 9.610 8.402 1.208 17822 2244 1 4 . 1 1 45 45 ILE N N 45 126.939 126.939 123.147 3.792 17822 2245 1 4 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.695 -0.394 17822 2246 1 4 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.290 -1.006 17822 2247 1 4 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.420 -1.787 17822 2248 1 4 . 1 1 45 45 ILE H H 45 8.806 8.806 8.847 -0.041 17822 2249 1 4 . 1 1 46 46 SER N N 46 113.239 113.239 115.094 -1.855 17822 2250 1 4 . 1 1 46 46 SER HA H 46 3.931 3.931 4.241 -0.310 17822 2251 1 4 . 1 1 46 46 SER CA C 46 60.762 60.762 61.388 -0.626 17822 2252 1 4 . 1 1 46 46 SER CB C 46 61.464 61.464 62.615 -1.151 17822 2253 1 4 . 1 1 46 46 SER H H 46 8.476 8.476 8.304 0.172 17822 2254 1 4 . 1 1 47 47 ARG N N 47 124.530 124.530 122.490 2.040 17822 2255 1 4 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.029 -0.238 17822 2256 1 4 . 1 1 47 47 ARG CA C 47 58.927 58.927 59.043 -0.116 17822 2257 1 4 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.724 0.859 17822 2258 1 4 . 1 1 47 47 ARG H H 47 6.731 6.731 7.549 -0.818 17822 2259 1 4 . 1 1 48 48 VAL N N 48 121.935 121.935 118.422 3.513 17822 2260 1 4 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.909 -0.762 17822 2261 1 4 . 1 1 48 48 VAL CA C 48 66.208 66.208 65.407 0.801 17822 2262 1 4 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.788 -0.320 17822 2263 1 4 . 1 1 48 48 VAL H H 48 7.257 7.257 7.473 -0.216 17822 2264 1 4 . 1 1 49 49 ALA N N 49 122.345 122.345 121.757 0.588 17822 2265 1 4 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.172 -0.290 17822 2266 1 4 . 1 1 49 49 ALA CA C 49 55.143 55.143 55.081 0.062 17822 2267 1 4 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.401 -0.751 17822 2268 1 4 . 1 1 49 49 ALA H H 49 8.864 8.864 7.673 1.191 17822 2269 1 4 . 1 1 50 50 LYS N N 50 120.376 120.376 118.625 1.751 17822 2270 1 4 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.171 -0.268 17822 2271 1 4 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.985 -0.058 17822 2272 1 4 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.065 -0.479 17822 2273 1 4 . 1 1 50 50 LYS H H 50 7.380 7.380 8.314 -0.934 17822 2274 1 4 . 1 1 51 51 MET N N 51 121.641 121.641 118.290 3.351 17822 2275 1 4 . 1 1 51 51 MET HA H 51 3.935 3.935 4.237 -0.302 17822 2276 1 4 . 1 1 51 51 MET CA C 51 58.927 58.927 58.303 0.624 17822 2277 1 4 . 1 1 51 51 MET CB C 51 30.734 30.734 32.335 -1.601 17822 2278 1 4 . 1 1 51 51 MET H H 51 7.508 7.508 7.522 -0.014 17822 2279 1 4 . 1 1 52 52 LEU N N 52 120.125 120.125 120.221 -0.096 17822 2280 1 4 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.258 -0.601 17822 2281 1 4 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.522 0.915 17822 2282 1 4 . 1 1 52 52 LEU CB C 52 41.554 41.554 42.012 -0.458 17822 2283 1 4 . 1 1 52 52 LEU H H 52 8.203 8.203 7.721 0.482 17822 2284 1 4 . 1 1 53 53 ALA N N 53 123.639 123.639 122.244 1.395 17822 2285 1 4 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.858 0.087 17822 2286 1 4 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.469 -0.670 17822 2287 1 4 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.770 -0.521 17822 2288 1 4 . 1 1 53 53 ALA H H 53 7.775 7.775 7.699 0.076 17822 2289 1 4 . 1 1 54 54 ASP N N 54 123.165 123.165 118.203 4.962 17822 2290 1 4 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.421 -0.092 17822 2291 1 4 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.527 -0.320 17822 2292 1 4 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.901 -1.796 17822 2293 1 4 . 1 1 54 54 ASP H H 54 8.156 8.156 7.663 0.493 17822 2294 1 4 . 1 1 55 55 GLU N N 55 122.017 122.017 119.364 2.653 17822 2295 1 4 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.045 -0.169 17822 2296 1 4 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.050 -0.467 17822 2297 1 4 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.433 -0.414 17822 2298 1 4 . 1 1 55 55 GLU H H 55 8.221 8.221 7.599 0.622 17822 2299 1 4 . 1 1 56 56 PHE N N 56 123.334 123.334 121.335 1.999 17822 2300 1 4 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.223 0.458 17822 2301 1 4 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.362 0.152 17822 2302 1 4 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.797 0.415 17822 2303 1 4 . 1 1 56 56 PHE H H 56 8.711 8.711 8.234 0.477 17822 2304 1 4 . 1 1 57 57 GLY N N 57 107.156 107.156 106.085 1.071 17822 2305 1 4 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.397 0.086 17822 2306 1 4 . 1 1 57 57 GLY H H 57 7.985 7.985 8.016 -0.031 17822 2307 1 4 . 1 1 58 58 THR N N 58 118.940 118.940 117.744 1.196 17822 2308 1 4 . 1 1 58 58 THR HA H 58 4.062 4.062 4.258 -0.196 17822 2309 1 4 . 1 1 58 58 THR CA C 58 65.406 65.406 65.845 -0.439 17822 2310 1 4 . 1 1 58 58 THR CB C 58 68.408 68.408 69.214 -0.806 17822 2311 1 4 . 1 1 58 58 THR H H 58 7.992 7.992 7.697 0.295 17822 2312 1 4 . 1 1 59 59 ALA N N 59 126.365 126.365 125.287 1.078 17822 2313 1 4 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.070 -0.142 17822 2314 1 4 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.631 -0.692 17822 2315 1 4 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.689 0.461 17822 2316 1 4 . 1 1 59 59 ALA H H 59 8.351 8.351 8.189 0.162 17822 2317 1 4 . 1 1 60 60 SER N N 60 112.435 112.435 111.434 1.001 17822 2318 1 4 . 1 1 60 60 SER HA H 60 4.632 4.632 4.120 0.512 17822 2319 1 4 . 1 1 60 60 SER CA C 60 61.220 61.220 59.030 2.190 17822 2320 1 4 . 1 1 60 60 SER CB C 60 62.686 62.686 62.854 -0.168 17822 2321 1 4 . 1 1 60 60 SER H H 60 7.459 7.459 7.762 -0.303 17822 2322 1 4 . 1 1 61 61 ASN N N 61 116.971 116.971 118.644 -1.673 17822 2323 1 4 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.600 -0.087 17822 2324 1 4 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.590 -0.568 17822 2325 1 4 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.753 0.252 17822 2326 1 4 . 1 1 61 61 ASN H H 61 7.372 7.372 7.621 -0.249 17822 2327 1 4 . 1 1 62 62 ILE N N 62 123.980 123.980 122.114 1.866 17822 2328 1 4 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.864 -0.228 17822 2329 1 4 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.375 1.053 17822 2330 1 4 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.031 -0.601 17822 2331 1 4 . 1 1 62 62 ILE H H 62 7.461 7.461 7.312 0.149 17822 2332 1 4 . 1 1 63 63 LYS N N 63 128.982 128.982 126.168 2.814 17822 2333 1 4 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.074 -0.277 17822 2334 1 4 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.193 0.505 17822 2335 1 4 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.498 0.208 17822 2336 1 4 . 1 1 63 63 LYS H H 63 8.417 8.417 8.336 0.081 17822 2337 1 4 . 1 1 64 64 SER N N 64 114.306 114.306 117.995 -3.689 17822 2338 1 4 . 1 1 64 64 SER HA H 64 4.616 4.616 4.545 0.071 17822 2339 1 4 . 1 1 64 64 SER CA C 64 56.749 56.749 57.960 -1.211 17822 2340 1 4 . 1 1 64 64 SER CB C 64 62.962 62.962 63.229 -0.267 17822 2341 1 4 . 1 1 64 64 SER H H 64 7.599 7.599 8.049 -0.450 17822 2342 1 4 . 1 1 65 65 ARG N N 65 132.125 132.125 128.355 3.770 17822 2343 1 4 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.916 0.390 17822 2344 1 4 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.745 0.157 17822 2345 1 4 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.966 3.132 17822 2346 1 4 . 1 1 65 65 ARG H H 65 8.689 8.689 8.776 -0.087 17822 2347 1 4 . 1 1 66 66 VAL N N 66 116.947 116.947 118.906 -1.959 17822 2348 1 4 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.516 0.035 17822 2349 1 4 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.194 -0.731 17822 2350 1 4 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.228 0.358 17822 2351 1 4 . 1 1 66 66 VAL H H 66 7.946 7.946 8.287 -0.341 17822 2352 1 4 . 1 1 67 67 ASN N N 67 119.499 119.499 116.830 2.669 17822 2353 1 4 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.351 0.061 17822 2354 1 4 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.172 -0.799 17822 2355 1 4 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.128 -0.092 17822 2356 1 4 . 1 1 67 67 ASN H H 67 7.386 7.386 7.776 -0.390 17822 2357 1 4 . 1 1 68 68 ARG N N 68 122.132 122.132 121.888 0.244 17822 2358 1 4 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.935 -0.341 17822 2359 1 4 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.475 0.323 17822 2360 1 4 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.035 0.524 17822 2361 1 4 . 1 1 68 68 ARG H H 68 8.566 8.566 7.692 0.874 17822 2362 1 4 . 1 1 69 69 LEU N N 69 116.564 116.564 118.012 -1.448 17822 2363 1 4 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.200 -0.417 17822 2364 1 4 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.228 0.666 17822 2365 1 4 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.894 -0.285 17822 2366 1 4 . 1 1 69 69 LEU H H 69 8.167 8.167 8.616 -0.449 17822 2367 1 4 . 1 1 70 70 SER N N 70 116.805 116.805 114.037 2.768 17822 2368 1 4 . 1 1 70 70 SER HA H 70 4.132 4.132 4.266 -0.134 17822 2369 1 4 . 1 1 70 70 SER CA C 70 61.450 61.450 61.226 0.224 17822 2370 1 4 . 1 1 70 70 SER CB C 70 62.635 62.635 63.114 -0.479 17822 2371 1 4 . 1 1 70 70 SER H H 70 7.589 7.589 7.554 0.035 17822 2372 1 4 . 1 1 71 71 VAL N N 71 124.991 124.991 123.482 1.509 17822 2373 1 4 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.934 -0.451 17822 2374 1 4 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.633 2.205 17822 2375 1 4 . 1 1 71 71 VAL CB C 71 31.649 31.649 32.071 -0.422 17822 2376 1 4 . 1 1 71 71 VAL H H 71 7.934 7.934 8.245 -0.311 17822 2377 1 4 . 1 1 72 72 LEU N N 72 118.680 118.680 119.582 -0.902 17822 2378 1 4 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.033 -0.312 17822 2379 1 4 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.863 0.376 17822 2380 1 4 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.016 -0.718 17822 2381 1 4 . 1 1 72 72 LEU H H 72 8.354 8.354 8.703 -0.349 17822 2382 1 4 . 1 1 73 73 GLY N N 73 106.674 106.674 106.274 0.400 17822 2383 1 4 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.220 -0.275 17822 2384 1 4 . 1 1 73 73 GLY H H 73 8.052 8.052 7.892 0.160 17822 2385 1 4 . 1 1 74 74 ALA N N 74 127.313 127.313 124.219 3.094 17822 2386 1 4 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.017 0.136 17822 2387 1 4 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.651 0.722 17822 2388 1 4 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.719 -0.913 17822 2389 1 4 . 1 1 74 74 ALA H H 74 7.784 7.784 7.410 0.374 17822 2390 1 4 . 1 1 75 75 ILE N N 75 119.310 119.310 118.933 0.377 17822 2391 1 4 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.607 -0.245 17822 2392 1 4 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.712 0.898 17822 2393 1 4 . 1 1 75 75 ILE CB C 75 38.424 38.424 37.972 0.452 17822 2394 1 4 . 1 1 75 75 ILE H H 75 8.638 8.638 7.929 0.709 17822 2395 1 4 . 1 1 76 76 THR N N 76 116.205 116.205 112.567 3.638 17822 2396 1 4 . 1 1 76 76 THR HA H 76 4.227 4.227 3.862 0.365 17822 2397 1 4 . 1 1 76 76 THR CA C 76 66.782 66.782 66.835 -0.053 17822 2398 1 4 . 1 1 76 76 THR CB C 76 68.478 68.478 68.311 0.167 17822 2399 1 4 . 1 1 76 76 THR H H 76 8.317 8.317 8.246 0.071 17822 2400 1 4 . 1 1 77 77 SER N N 77 118.405 118.405 116.538 1.867 17822 2401 1 4 . 1 1 77 77 SER HA H 77 4.173 4.173 4.295 -0.122 17822 2402 1 4 . 1 1 77 77 SER CA C 77 62.482 62.482 60.608 1.875 17822 2403 1 4 . 1 1 77 77 SER CB C 77 63.484 63.484 62.964 0.520 17822 2404 1 4 . 1 1 77 77 SER H H 77 7.843 7.843 7.675 0.168 17822 2405 1 4 . 1 1 78 78 VAL N N 78 124.171 124.171 122.080 2.091 17822 2406 1 4 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.777 -0.204 17822 2407 1 4 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.070 0.654 17822 2408 1 4 . 1 1 78 78 VAL CB C 78 30.984 30.984 32.161 -1.177 17822 2409 1 4 . 1 1 78 78 VAL H H 78 8.153 8.153 7.604 0.549 17822 2410 1 4 . 1 1 79 79 GLN N N 79 120.008 120.008 118.946 1.062 17822 2411 1 4 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.861 0.068 17822 2412 1 4 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.627 -0.241 17822 2413 1 4 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.427 0.352 17822 2414 1 4 . 1 1 79 79 GLN H H 79 8.688 8.688 8.772 -0.084 17822 2415 1 4 . 1 1 80 80 GLN N N 80 116.870 116.870 116.974 -0.104 17822 2416 1 4 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.059 -0.284 17822 2417 1 4 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.775 -0.249 17822 2418 1 4 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.492 -0.515 17822 2419 1 4 . 1 1 80 80 GLN H H 80 7.850 7.850 7.794 0.056 17822 2420 1 4 . 1 1 81 81 ARG N N 81 119.074 119.074 119.303 -0.229 17822 2421 1 4 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.217 -0.225 17822 2422 1 4 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.044 -1.410 17822 2423 1 4 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.369 -2.047 17822 2424 1 4 . 1 1 81 81 ARG H H 81 7.520 7.520 7.736 -0.216 17822 2425 1 4 . 1 1 82 82 LEU N N 82 117.238 117.238 120.304 -3.066 17822 2426 1 4 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.178 -0.287 17822 2427 1 4 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.391 -0.954 17822 2428 1 4 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.102 -0.291 17822 2429 1 4 . 1 1 82 82 LEU H H 82 8.189 8.189 8.179 0.010 17822 2430 1 4 . 1 1 83 83 LYS N N 83 114.899 114.899 119.609 -4.710 17822 2431 1 4 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.088 -0.143 17822 2432 1 4 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.188 -1.522 17822 2433 1 4 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.093 -0.105 17822 2434 1 4 . 1 1 83 83 LYS H H 83 7.064 7.064 7.796 -0.732 17822 2435 1 4 . 1 1 84 84 LEU N N 84 117.840 117.840 118.863 -1.023 17822 2436 1 4 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.032 -0.159 17822 2437 1 4 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.980 -1.665 17822 2438 1 4 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.861 -0.932 17822 2439 1 4 . 1 1 84 84 LEU H H 84 7.271 7.271 7.959 -0.688 17822 2440 1 4 . 1 1 85 85 TYR N N 85 119.720 119.720 116.786 2.934 17822 2441 1 4 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.376 -0.121 17822 2442 1 4 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.225 -1.158 17822 2443 1 4 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.823 0.245 17822 2444 1 4 . 1 1 85 85 TYR H H 85 7.633 7.633 7.617 0.016 17822 2445 1 4 . 1 1 86 86 ASN N N 86 119.638 119.638 115.069 4.569 17822 2446 1 4 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.338 0.136 17822 2447 1 4 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.648 -0.766 17822 2448 1 4 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.308 0.434 17822 2449 1 4 . 1 1 86 86 ASN H H 86 8.622 8.622 8.639 -0.017 17822 2450 1 4 . 1 1 87 87 LYS N N 87 116.321 116.321 118.169 -1.848 17822 2451 1 4 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.460 0.038 17822 2452 1 4 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.762 -0.593 17822 2453 1 4 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.613 -0.940 17822 2454 1 4 . 1 1 87 87 LYS H H 87 7.631 7.631 7.843 -0.212 17822 2455 1 4 . 1 1 88 88 VAL N N 88 125.141 125.141 118.999 6.142 17822 2456 1 4 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.515 -0.893 17822 2457 1 4 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.923 3.042 17822 2458 1 4 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.895 1.393 17822 2459 1 4 . 1 1 88 88 VAL H H 88 8.357 8.357 8.442 -0.085 17822 2460 1 4 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.685 -0.432 17822 2461 1 4 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.409 1.931 17822 2462 1 4 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.850 0.704 17822 2463 1 4 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.250 0.250 17822 2464 1 4 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.485 0.494 17822 2465 1 4 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.086 0.102 17822 2466 1 4 . 1 1 91 91 ASN N N 91 112.735 112.735 116.457 -3.722 17822 2467 1 4 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.566 0.089 17822 2468 1 4 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.777 -1.902 17822 2469 1 4 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.812 -1.369 17822 2470 1 4 . 1 1 91 91 ASN H H 91 9.163 9.163 8.527 0.636 17822 2471 1 4 . 1 1 92 92 GLY N N 92 108.893 108.893 106.589 2.304 17822 2472 1 4 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.671 -1.230 17822 2473 1 4 . 1 1 92 92 GLY H H 92 7.898 7.898 7.195 0.703 17822 2474 1 4 . 1 1 93 93 LEU N N 93 117.751 117.751 126.043 -8.292 17822 2475 1 4 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.225 0.099 17822 2476 1 4 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.298 -0.531 17822 2477 1 4 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.165 5.362 17822 2478 1 4 . 1 1 93 93 LEU H H 93 8.508 8.508 7.556 0.952 17822 2479 1 4 . 1 1 94 94 VAL N N 94 126.296 126.296 129.571 -3.275 17822 2480 1 4 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.840 -0.490 17822 2481 1 4 . 1 1 94 94 VAL CA C 94 60.475 60.475 60.793 -0.318 17822 2482 1 4 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.606 -0.438 17822 2483 1 4 . 1 1 94 94 VAL H H 94 8.168 8.168 8.117 0.051 17822 2484 1 4 . 1 1 95 95 VAL N N 95 125.531 125.531 119.745 5.786 17822 2485 1 4 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.886 -0.746 17822 2486 1 4 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.625 0.678 17822 2487 1 4 . 1 1 95 95 VAL CB C 95 35.195 35.195 33.797 1.399 17822 2488 1 4 . 1 1 95 95 VAL H H 95 8.744 8.744 8.362 0.382 17822 2489 1 4 . 1 1 96 96 TYR N N 96 123.577 123.577 125.057 -1.480 17822 2490 1 4 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.651 -0.319 17822 2491 1 4 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.826 0.751 17822 2492 1 4 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.816 -0.196 17822 2493 1 4 . 1 1 96 96 TYR H H 96 8.698 8.698 9.211 -0.513 17822 2494 1 4 . 1 1 97 97 CYS N N 97 120.144 120.144 122.647 -2.503 17822 2495 1 4 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.763 -0.215 17822 2496 1 4 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.126 -0.549 17822 2497 1 4 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.354 1.432 17822 2498 1 4 . 1 1 97 97 CYS H H 97 8.796 8.796 8.266 0.530 17822 2499 1 4 . 1 1 98 98 GLY N N 98 112.534 112.534 112.882 -0.348 17822 2500 1 4 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.252 0.546 17822 2501 1 4 . 1 1 98 98 GLY H H 98 8.776 8.776 8.238 0.538 17822 2502 1 4 . 1 1 99 99 THR N N 99 119.083 119.083 116.489 2.594 17822 2503 1 4 . 1 1 99 99 THR HA H 99 4.821 4.821 5.340 -0.519 17822 2504 1 4 . 1 1 99 99 THR CA C 99 62.294 62.294 62.104 0.190 17822 2505 1 4 . 1 1 99 99 THR CB C 99 69.781 69.781 70.106 -0.326 17822 2506 1 4 . 1 1 99 99 THR H H 99 8.168 8.168 8.422 -0.254 17822 2507 1 4 . 1 1 100 100 ILE N N 100 122.250 122.250 123.252 -1.002 17822 2508 1 4 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.702 -0.125 17822 2509 1 4 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.436 0.147 17822 2510 1 4 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.052 0.457 17822 2511 1 4 . 1 1 100 100 ILE H H 100 8.838 8.838 8.509 0.329 17822 2512 1 4 . 1 1 101 101 VAL N N 101 120.622 120.622 124.240 -3.618 17822 2513 1 4 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.745 -0.095 17822 2514 1 4 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.326 1.264 17822 2515 1 4 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.535 -1.646 17822 2516 1 4 . 1 1 101 101 VAL H H 101 8.310 8.310 8.415 -0.105 17822 2517 1 4 . 1 1 102 102 THR N N 102 118.661 118.661 121.226 -2.565 17822 2518 1 4 . 1 1 102 102 THR HA H 102 4.658 4.658 4.620 0.038 17822 2519 1 4 . 1 1 102 102 THR CA C 102 60.590 60.590 60.302 0.288 17822 2520 1 4 . 1 1 102 102 THR CB C 102 71.189 71.189 70.242 0.947 17822 2521 1 4 . 1 1 102 102 THR H H 102 8.867 8.867 8.240 0.627 17822 2522 1 4 . 1 1 103 103 GLU N N 103 121.906 121.906 120.747 1.159 17822 2523 1 4 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.112 -0.194 17822 2524 1 4 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.737 0.190 17822 2525 1 4 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.198 -0.268 17822 2526 1 4 . 1 1 103 103 GLU H H 103 9.243 9.243 8.781 0.462 17822 2527 1 4 . 1 1 104 104 GLU N N 104 116.013 116.013 117.711 -1.698 17822 2528 1 4 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.170 0.004 17822 2529 1 4 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.215 0.018 17822 2530 1 4 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.360 0.106 17822 2531 1 4 . 1 1 104 104 GLU H H 104 7.716 7.716 7.724 -0.008 17822 2532 1 4 . 1 1 105 105 GLY N N 105 109.001 109.001 107.647 1.354 17822 2533 1 4 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.289 -0.584 17822 2534 1 4 . 1 1 105 105 GLY H H 105 8.045 8.045 7.975 0.070 17822 2535 1 4 . 1 1 106 106 LYS N N 106 119.559 119.559 119.010 0.549 17822 2536 1 4 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.661 -0.330 17822 2537 1 4 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.510 -0.055 17822 2538 1 4 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.410 0.012 17822 2539 1 4 . 1 1 106 106 LYS H H 106 6.924 6.924 7.549 -0.625 17822 2540 1 4 . 1 1 107 107 GLU N N 107 121.771 121.771 125.082 -3.311 17822 2541 1 4 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.342 0.612 17822 2542 1 4 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.384 -0.782 17822 2543 1 4 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.468 0.817 17822 2544 1 4 . 1 1 107 107 GLU H H 107 8.371 8.371 8.710 -0.339 17822 2545 1 4 . 1 1 108 108 LYS N N 108 125.216 125.216 121.408 3.808 17822 2546 1 4 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.410 0.030 17822 2547 1 4 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.405 -0.319 17822 2548 1 4 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.439 1.476 17822 2549 1 4 . 1 1 108 108 LYS H H 108 8.946 8.946 8.090 0.856 17822 2550 1 4 . 1 1 109 109 LYS N N 109 125.136 125.136 128.678 -3.542 17822 2551 1 4 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.480 0.156 17822 2552 1 4 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.372 -0.598 17822 2553 1 4 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.683 0.117 17822 2554 1 4 . 1 1 109 109 LYS H H 109 8.548 8.548 8.550 -0.002 17822 2555 1 4 . 1 1 110 110 VAL N N 110 125.626 125.626 128.031 -2.405 17822 2556 1 4 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.055 0.021 17822 2557 1 4 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.413 -0.849 17822 2558 1 4 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.701 1.191 17822 2559 1 4 . 1 1 110 110 VAL H H 110 8.850 8.850 8.977 -0.127 17822 2560 1 4 . 1 1 111 111 ASN N N 111 126.837 126.837 127.046 -0.209 17822 2561 1 4 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.351 -0.063 17822 2562 1 4 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.521 0.788 17822 2563 1 4 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.255 0.214 17822 2564 1 4 . 1 1 111 111 ASN H H 111 8.711 8.711 8.524 0.187 17822 2565 1 4 . 1 1 112 112 ILE N N 112 125.729 125.729 124.615 1.114 17822 2566 1 4 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.525 -0.141 17822 2567 1 4 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.929 -0.740 17822 2568 1 4 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.417 -0.565 17822 2569 1 4 . 1 1 112 112 ILE H H 112 8.931 8.931 8.626 0.305 17822 2570 1 4 . 1 1 113 113 ASP N N 113 122.734 122.734 123.477 -0.743 17822 2571 1 4 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.954 -0.164 17822 2572 1 4 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.501 -1.296 17822 2573 1 4 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.669 -0.148 17822 2574 1 4 . 1 1 113 113 ASP H H 113 8.116 8.116 8.480 -0.364 17822 2575 1 4 . 1 1 114 114 PHE N N 114 116.385 116.385 119.340 -2.955 17822 2576 1 4 . 1 1 114 114 PHE HA H 114 4.703 4.703 5.040 -0.337 17822 2577 1 4 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.586 -0.124 17822 2578 1 4 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.296 -0.589 17822 2579 1 4 . 1 1 114 114 PHE H H 114 8.613 8.613 8.415 0.198 17822 2580 1 4 . 1 1 115 115 GLU N N 115 124.642 124.642 121.434 3.208 17822 2581 1 4 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.777 0.016 17822 2582 1 4 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.923 -1.220 17822 2583 1 4 . 1 1 115 115 GLU CB C 115 31.125 31.125 30.456 0.669 17822 2584 1 4 . 1 1 115 115 GLU H H 115 8.591 8.591 8.653 -0.062 17822 2585 1 4 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.310 0.273 17822 2586 1 4 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.475 -0.124 17822 2587 1 4 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.267 -1.305 17822 2588 1 4 . 1 1 117 117 PHE N N 117 116.676 116.676 112.794 3.882 17822 2589 1 4 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.570 -0.376 17822 2590 1 4 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.196 0.443 17822 2591 1 4 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.172 -1.420 17822 2592 1 4 . 1 1 117 117 PHE H H 117 7.842 7.842 8.251 -0.409 17822 2593 1 4 . 1 1 118 118 LYS N N 118 118.589 118.589 119.102 -0.513 17822 2594 1 4 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.371 -0.188 17822 2595 1 4 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.373 -0.039 17822 2596 1 4 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.011 2.182 17822 2597 1 4 . 1 1 118 118 LYS H H 118 6.889 6.889 7.144 -0.255 17822 2598 1 4 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.545 -0.022 17822 2599 1 4 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.275 0.341 17822 2600 1 4 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.412 -0.240 17822 2601 1 4 . 1 1 120 120 ILE N N 120 121.968 121.968 122.670 -0.702 17822 2602 1 4 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.161 -0.255 17822 2603 1 4 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.550 1.868 17822 2604 1 4 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.002 0.803 17822 2605 1 4 . 1 1 120 120 ILE H H 120 7.440 7.440 7.616 -0.176 17822 2606 1 4 . 1 1 121 121 ASN N N 121 120.951 120.951 126.186 -5.235 17822 2607 1 4 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.356 0.276 17822 2608 1 4 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.091 -1.209 17822 2609 1 4 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.538 0.761 17822 2610 1 4 . 1 1 121 121 ASN H H 121 8.112 8.112 9.124 -1.012 17822 2611 1 4 . 1 1 122 122 GLN N N 122 118.826 118.826 115.478 3.348 17822 2612 1 4 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.496 -0.084 17822 2613 1 4 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.172 0.226 17822 2614 1 4 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.754 0.732 17822 2615 1 4 . 1 1 122 122 GLN H H 122 7.009 7.009 7.566 -0.557 17822 2616 1 4 . 1 1 123 123 PHE N N 123 122.795 122.795 118.781 4.014 17822 2617 1 4 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.501 0.213 17822 2618 1 4 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.117 -0.910 17822 2619 1 4 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.913 0.805 17822 2620 1 4 . 1 1 123 123 PHE H H 123 8.335 8.335 8.727 -0.392 17822 2621 1 4 . 1 1 124 124 MET N N 124 126.990 126.990 126.540 0.450 17822 2622 1 4 . 1 1 124 124 MET HA H 124 3.984 3.984 4.453 -0.469 17822 2623 1 4 . 1 1 124 124 MET CA C 124 54.799 54.799 54.492 0.307 17822 2624 1 4 . 1 1 124 124 MET CB C 124 37.330 37.330 36.399 0.931 17822 2625 1 4 . 1 1 124 124 MET H H 124 7.992 7.992 8.515 -0.523 17822 2626 1 4 . 1 1 125 125 TYR N N 125 122.216 122.216 124.937 -2.721 17822 2627 1 4 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.471 0.433 17822 2628 1 4 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.194 -0.445 17822 2629 1 4 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.300 0.853 17822 2630 1 4 . 1 1 125 125 TYR H H 125 7.552 7.552 8.130 -0.578 17822 2631 1 4 . 1 1 126 126 PHE N N 126 124.584 124.584 118.899 5.685 17822 2632 1 4 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.704 -0.629 17822 2633 1 4 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.743 0.662 17822 2634 1 4 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.617 3.802 17822 2635 1 4 . 1 1 126 126 PHE H H 126 8.271 8.271 6.451 1.820 17822 2636 1 4 . 1 1 127 127 CYS N N 127 124.011 124.011 120.557 3.454 17822 2637 1 4 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.551 0.245 17822 2638 1 4 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.957 -0.117 17822 2639 1 4 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.353 -4.422 17822 2640 1 4 . 1 1 127 127 CYS H H 127 8.442 8.442 8.922 -0.480 17822 2641 1 4 . 1 1 128 128 ASP N N 128 127.486 127.486 121.894 5.592 17822 2642 1 4 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.655 0.351 17822 2643 1 4 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.657 -2.151 17822 2644 1 4 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.303 2.093 17822 2645 1 4 . 1 1 128 128 ASP H H 128 8.907 8.907 8.450 0.457 17822 2646 1 4 . 1 1 129 129 ASN N N 129 119.092 119.092 117.096 1.996 17822 2647 1 4 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.373 0.291 17822 2648 1 4 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.044 -1.309 17822 2649 1 4 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.235 0.667 17822 2650 1 4 . 1 1 129 129 ASN H H 129 9.136 9.136 8.645 0.491 17822 2651 1 4 . 1 1 130 130 LYS N N 130 114.367 114.367 113.890 0.477 17822 2652 1 4 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.357 -0.194 17822 2653 1 4 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.567 -1.341 17822 2654 1 4 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.942 0.150 17822 2655 1 4 . 1 1 130 130 LYS H H 130 7.115 7.115 7.191 -0.076 17822 2656 1 4 . 1 1 131 131 PHE N N 131 121.117 121.117 120.910 0.207 17822 2657 1 4 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.566 -0.051 17822 2658 1 4 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.109 -1.959 17822 2659 1 4 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.060 -0.971 17822 2660 1 4 . 1 1 131 131 PHE H H 131 9.291 9.291 8.750 0.541 17822 2661 1 4 . 1 1 132 132 HIS N N 132 121.897 121.897 123.371 -1.474 17822 2662 1 4 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.851 -0.468 17822 2663 1 4 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.441 0.562 17822 2664 1 4 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.107 -1.764 17822 2665 1 4 . 1 1 132 132 HIS H H 132 9.026 9.026 8.742 0.284 17822 2666 1 4 . 1 1 133 133 THR N N 133 117.915 117.915 117.532 0.383 17822 2667 1 4 . 1 1 133 133 THR HA H 133 4.612 4.612 4.759 -0.147 17822 2668 1 4 . 1 1 133 133 THR CA C 133 61.679 61.679 61.679 0.000 17822 2669 1 4 . 1 1 133 133 THR CB C 133 73.856 73.856 71.002 2.854 17822 2670 1 4 . 1 1 133 133 THR H H 133 8.700 8.700 8.506 0.194 17822 2671 1 4 . 1 1 134 134 GLU N N 134 129.072 129.072 127.412 1.660 17822 2672 1 4 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.173 -0.194 17822 2673 1 4 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.220 1.313 17822 2674 1 4 . 1 1 134 134 GLU CB C 134 27.503 27.503 30.036 -2.533 17822 2675 1 4 . 1 1 134 134 GLU H H 134 10.805 10.805 8.800 2.005 17822 2676 1 4 . 1 1 135 135 ALA N N 135 122.099 122.099 121.972 0.127 17822 2677 1 4 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.058 0.013 17822 2678 1 4 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.205 -0.692 17822 2679 1 4 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.748 1.013 17822 2680 1 4 . 1 1 135 135 ALA H H 135 8.590 8.590 8.643 -0.053 17822 2681 1 4 . 1 1 136 136 LEU N N 136 116.720 116.720 117.946 -1.226 17822 2682 1 4 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.986 0.068 17822 2683 1 4 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.964 -1.387 17822 2684 1 4 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.528 -0.217 17822 2685 1 4 . 1 1 136 136 LEU H H 136 7.471 7.471 7.820 -0.349 17822 2686 1 4 . 1 1 137 137 THR N N 137 117.177 117.177 112.865 4.312 17822 2687 1 4 . 1 1 137 137 THR HA H 137 4.005 4.005 4.016 -0.011 17822 2688 1 4 . 1 1 137 137 THR CA C 137 66.610 66.610 65.406 1.204 17822 2689 1 4 . 1 1 137 137 THR CB C 137 67.980 67.980 68.871 -0.891 17822 2690 1 4 . 1 1 137 137 THR H H 137 8.044 8.044 7.613 0.431 17822 2691 1 4 . 1 1 138 138 ALA N N 138 124.719 124.719 124.102 0.617 17822 2692 1 4 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.305 -0.304 17822 2693 1 4 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.536 0.378 17822 2694 1 4 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.623 -1.126 17822 2695 1 4 . 1 1 138 138 ALA H H 138 7.695 7.695 8.101 -0.406 17822 2696 1 4 . 1 1 139 139 LEU N N 139 120.059 120.059 120.366 -0.307 17822 2697 1 4 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.973 0.026 17822 2698 1 4 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.052 -0.558 17822 2699 1 4 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.834 0.978 17822 2700 1 4 . 1 1 139 139 LEU H H 139 7.345 7.345 8.346 -1.001 17822 2701 1 4 . 1 1 140 140 LEU N N 140 117.771 117.771 117.839 -0.068 17822 2702 1 4 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.935 0.022 17822 2703 1 4 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.584 -1.606 17822 2704 1 4 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.419 -0.180 17822 2705 1 4 . 1 1 140 140 LEU H H 140 7.748 7.748 7.911 -0.163 17822 2706 1 4 . 1 1 141 141 SER N N 141 114.778 114.778 112.976 1.802 17822 2707 1 4 . 1 1 141 141 SER HA H 141 4.107 4.107 4.211 -0.104 17822 2708 1 4 . 1 1 141 141 SER CA C 141 60.647 60.647 60.959 -0.312 17822 2709 1 4 . 1 1 141 141 SER CB C 141 62.650 62.650 62.905 -0.255 17822 2710 1 4 . 1 1 141 141 SER H H 141 7.807 7.807 7.704 0.103 17822 2711 1 4 . 1 1 142 142 ASP N N 142 121.827 121.827 121.571 0.256 17822 2712 1 4 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.536 -0.178 17822 2713 1 4 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.105 -0.044 17822 2714 1 4 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.256 -0.647 17822 2715 1 4 . 1 1 142 142 ASP H H 142 7.878 7.878 8.035 -0.157 17822 2716 1 4 . 1 1 143 143 LEU N N 143 120.220 120.220 119.699 0.521 17822 2717 1 4 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.272 -0.300 17822 2718 1 4 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.377 0.085 17822 2719 1 4 . 1 1 143 143 LEU CB C 143 42.214 42.214 43.030 -0.816 17822 2720 1 4 . 1 1 143 143 LEU H H 143 7.846 7.846 8.351 -0.505 17822 2721 1 5 . 1 1 2 2 ALA N N 2 125.964 125.964 125.956 0.008 17822 2722 1 5 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.659 -0.047 17822 2723 1 5 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.060 0.232 17822 2724 1 5 . 1 1 2 2 ALA H H 2 8.065 8.065 8.323 -0.258 17822 2725 1 5 . 1 1 3 3 ASP N N 3 119.188 119.188 119.486 -0.298 17822 2726 1 5 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.753 -0.143 17822 2727 1 5 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.496 -0.614 17822 2728 1 5 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.741 -0.931 17822 2729 1 5 . 1 1 3 3 ASP H H 3 8.203 8.203 8.698 -0.495 17822 2730 1 5 . 1 1 4 4 ASP N N 4 121.607 121.607 119.764 1.843 17822 2731 1 5 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.964 -0.592 17822 2732 1 5 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.956 -0.195 17822 2733 1 5 . 1 1 4 4 ASP CB C 4 40.910 40.910 43.205 -2.295 17822 2734 1 5 . 1 1 4 4 ASP H H 4 7.954 7.954 8.217 -0.263 17822 2735 1 5 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.387 -0.135 17822 2736 1 5 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.786 -1.418 17822 2737 1 5 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.206 -0.348 17822 2738 1 5 . 1 1 6 6 SER N N 6 115.864 115.864 113.617 2.247 17822 2739 1 5 . 1 1 6 6 SER HA H 6 4.252 4.252 4.346 -0.094 17822 2740 1 5 . 1 1 6 6 SER CA C 6 58.870 58.870 59.406 -0.536 17822 2741 1 5 . 1 1 6 6 SER CB C 6 63.368 63.368 62.561 0.807 17822 2742 1 5 . 1 1 6 6 SER H H 6 8.310 8.310 7.973 0.337 17822 2743 1 5 . 1 1 7 7 ALA N N 7 125.955 125.955 124.013 1.942 17822 2744 1 5 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.178 -0.179 17822 2745 1 5 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.240 -0.932 17822 2746 1 5 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.080 0.471 17822 2747 1 5 . 1 1 7 7 ALA H H 7 7.854 7.854 8.522 -0.668 17822 2748 1 5 . 1 1 8 8 ALA N N 8 122.354 122.354 121.137 1.217 17822 2749 1 5 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.009 -0.212 17822 2750 1 5 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.905 -1.310 17822 2751 1 5 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.321 0.131 17822 2752 1 5 . 1 1 8 8 ALA H H 8 7.910 7.910 7.800 0.110 17822 2753 1 5 . 1 1 9 9 ASP N N 9 119.431 119.431 118.323 1.108 17822 2754 1 5 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.387 -0.068 17822 2755 1 5 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.550 -2.407 17822 2756 1 5 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.873 -0.250 17822 2757 1 5 . 1 1 9 9 ASP H H 9 7.970 7.970 7.945 0.025 17822 2758 1 5 . 1 1 10 10 ARG N N 10 122.263 122.263 120.149 2.114 17822 2759 1 5 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.270 -0.434 17822 2760 1 5 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.840 -1.059 17822 2761 1 5 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.058 -0.177 17822 2762 1 5 . 1 1 10 10 ARG H H 10 8.036 8.036 7.899 0.137 17822 2763 1 5 . 1 1 11 11 ASN N N 11 118.325 118.325 117.259 1.066 17822 2764 1 5 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.468 -0.165 17822 2765 1 5 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.858 -0.715 17822 2766 1 5 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.422 -0.620 17822 2767 1 5 . 1 1 11 11 ASN H H 11 8.077 8.077 7.694 0.383 17822 2768 1 5 . 1 1 12 12 VAL N N 12 122.103 122.103 121.441 0.662 17822 2769 1 5 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.688 0.927 17822 2770 1 5 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.080 -0.459 17822 2771 1 5 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.099 0.387 17822 2772 1 5 . 1 1 12 12 VAL H H 12 7.741 7.741 7.795 -0.054 17822 2773 1 5 . 1 1 13 13 GLU N N 13 120.785 120.785 119.487 1.298 17822 2774 1 5 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.843 -0.609 17822 2775 1 5 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.363 5.698 17822 2776 1 5 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.907 0.861 17822 2777 1 5 . 1 1 13 13 GLU H H 13 7.751 7.751 8.036 -0.285 17822 2778 1 5 . 1 1 14 14 ILE N N 14 120.199 120.199 120.239 -0.040 17822 2779 1 5 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.570 0.218 17822 2780 1 5 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.571 -5.389 17822 2781 1 5 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.352 -1.357 17822 2782 1 5 . 1 1 14 14 ILE H H 14 7.650 7.650 7.156 0.494 17822 2783 1 5 . 1 1 15 15 TRP N N 15 120.828 120.828 117.610 3.218 17822 2784 1 5 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.626 -0.573 17822 2785 1 5 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.562 3.028 17822 2786 1 5 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.686 -0.242 17822 2787 1 5 . 1 1 15 15 TRP H H 15 7.759 7.759 7.147 0.612 17822 2788 1 5 . 1 1 16 16 LYS N N 16 119.063 119.063 122.230 -3.167 17822 2789 1 5 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.162 -0.672 17822 2790 1 5 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.130 1.839 17822 2791 1 5 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.011 0.167 17822 2792 1 5 . 1 1 16 16 LYS H H 16 7.963 7.963 7.719 0.244 17822 2793 1 5 . 1 1 17 17 ILE N N 17 120.609 120.609 119.492 1.117 17822 2794 1 5 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.838 -0.227 17822 2795 1 5 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.334 -0.878 17822 2796 1 5 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.476 -1.178 17822 2797 1 5 . 1 1 17 17 ILE H H 17 7.630 7.630 8.476 -0.846 17822 2798 1 5 . 1 1 18 18 LYS N N 18 121.687 121.687 119.014 2.673 17822 2799 1 5 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.015 -0.432 17822 2800 1 5 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.503 1.427 17822 2801 1 5 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.532 0.550 17822 2802 1 5 . 1 1 18 18 LYS H H 18 8.297 8.297 7.810 0.487 17822 2803 1 5 . 1 1 19 19 LYS N N 19 119.253 119.253 118.352 0.901 17822 2804 1 5 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.145 -0.528 17822 2805 1 5 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.538 0.446 17822 2806 1 5 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.313 -0.454 17822 2807 1 5 . 1 1 19 19 LYS H H 19 7.685 7.685 7.672 0.013 17822 2808 1 5 . 1 1 20 20 LEU N N 20 123.001 123.001 121.787 1.214 17822 2809 1 5 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.048 -0.223 17822 2810 1 5 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.729 0.052 17822 2811 1 5 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.784 -0.373 17822 2812 1 5 . 1 1 20 20 LEU H H 20 7.509 7.509 7.304 0.205 17822 2813 1 5 . 1 1 21 21 ILE N N 21 119.392 119.392 119.171 0.221 17822 2814 1 5 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.769 -0.699 17822 2815 1 5 . 1 1 21 21 ILE CA C 21 66.495 66.495 62.874 3.621 17822 2816 1 5 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.090 1.113 17822 2817 1 5 . 1 1 21 21 ILE H H 21 8.474 8.474 8.198 0.276 17822 2818 1 5 . 1 1 22 22 LYS N N 22 117.524 117.524 119.277 -1.753 17822 2819 1 5 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.075 -0.269 17822 2820 1 5 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.162 -0.349 17822 2821 1 5 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.311 -0.424 17822 2822 1 5 . 1 1 22 22 LYS H H 22 7.300 7.300 7.615 -0.315 17822 2823 1 5 . 1 1 23 23 SER N N 23 114.880 114.880 115.611 -0.731 17822 2824 1 5 . 1 1 23 23 SER HA H 23 4.008 4.008 4.294 -0.286 17822 2825 1 5 . 1 1 23 23 SER CA C 23 61.106 61.106 61.007 0.099 17822 2826 1 5 . 1 1 23 23 SER CB C 23 62.587 62.587 63.864 -1.277 17822 2827 1 5 . 1 1 23 23 SER H H 23 7.653 7.653 7.551 0.102 17822 2828 1 5 . 1 1 24 24 LEU N N 24 121.607 121.607 122.647 -1.040 17822 2829 1 5 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.432 0.440 17822 2830 1 5 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.677 -0.814 17822 2831 1 5 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.420 -0.131 17822 2832 1 5 . 1 1 24 24 LEU H H 24 8.158 8.158 7.931 0.227 17822 2833 1 5 . 1 1 25 25 GLU N N 25 119.392 119.392 117.495 1.897 17822 2834 1 5 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.147 -0.266 17822 2835 1 5 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.644 -0.061 17822 2836 1 5 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.343 -0.163 17822 2837 1 5 . 1 1 25 25 GLU H H 25 8.344 8.344 7.757 0.587 17822 2838 1 5 . 1 1 26 26 ALA N N 26 119.228 119.228 120.293 -1.065 17822 2839 1 5 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.354 -0.237 17822 2840 1 5 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.989 0.001 17822 2841 1 5 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.301 -0.348 17822 2842 1 5 . 1 1 26 26 ALA H H 26 7.154 7.154 7.403 -0.249 17822 2843 1 5 . 1 1 27 27 ALA N N 27 121.417 121.417 123.020 -1.603 17822 2844 1 5 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.212 -0.142 17822 2845 1 5 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.270 -0.802 17822 2846 1 5 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.225 0.078 17822 2847 1 5 . 1 1 27 27 ALA H H 27 6.833 6.833 7.644 -0.811 17822 2848 1 5 . 1 1 28 28 ARG N N 28 123.986 123.986 123.023 0.963 17822 2849 1 5 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.452 0.044 17822 2850 1 5 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.206 -1.038 17822 2851 1 5 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.412 0.549 17822 2852 1 5 . 1 1 28 28 ARG H H 28 8.679 8.679 8.294 0.385 17822 2853 1 5 . 1 1 29 29 GLY N N 29 109.466 109.466 107.700 1.766 17822 2854 1 5 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.896 -0.507 17822 2855 1 5 . 1 1 29 29 GLY H H 29 8.091 8.091 8.197 -0.106 17822 2856 1 5 . 1 1 30 30 ASN N N 30 120.048 120.048 117.137 2.911 17822 2857 1 5 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.591 0.064 17822 2858 1 5 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.120 -1.491 17822 2859 1 5 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.115 -1.313 17822 2860 1 5 . 1 1 30 30 ASN H H 30 8.419 8.419 8.595 -0.175 17822 2861 1 5 . 1 1 31 31 GLY N N 31 110.450 110.450 106.034 4.416 17822 2862 1 5 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.601 -0.915 17822 2863 1 5 . 1 1 31 31 GLY H H 31 8.071 8.071 8.727 -0.656 17822 2864 1 5 . 1 1 32 32 THR N N 32 112.929 112.929 118.216 -5.287 17822 2865 1 5 . 1 1 32 32 THR HA H 32 4.993 4.993 4.492 0.501 17822 2866 1 5 . 1 1 32 32 THR CA C 32 59.598 59.598 60.691 -1.093 17822 2867 1 5 . 1 1 32 32 THR H H 32 7.747 7.747 7.833 -0.086 17822 2868 1 5 . 1 1 33 33 SER N N 33 115.208 115.208 115.949 -0.741 17822 2869 1 5 . 1 1 33 33 SER HA H 33 4.335 4.335 4.751 -0.416 17822 2870 1 5 . 1 1 33 33 SER CA C 33 58.067 58.067 57.601 0.466 17822 2871 1 5 . 1 1 33 33 SER CB C 33 64.572 64.572 64.241 0.331 17822 2872 1 5 . 1 1 33 33 SER H H 33 7.701 7.701 8.393 -0.692 17822 2873 1 5 . 1 1 34 34 MET N N 34 120.869 120.869 122.407 -1.538 17822 2874 1 5 . 1 1 34 34 MET HA H 34 4.666 4.666 4.834 -0.168 17822 2875 1 5 . 1 1 34 34 MET CA C 34 54.799 54.799 53.205 1.594 17822 2876 1 5 . 1 1 34 34 MET CB C 34 34.700 34.700 33.744 0.956 17822 2877 1 5 . 1 1 34 34 MET H H 34 8.679 8.679 8.317 0.362 17822 2878 1 5 . 1 1 35 35 ILE N N 35 126.806 126.806 119.561 7.245 17822 2879 1 5 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.252 1.918 17822 2880 1 5 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.199 -0.297 17822 2881 1 5 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.504 -1.831 17822 2882 1 5 . 1 1 35 35 ILE H H 35 9.562 9.562 7.974 1.588 17822 2883 1 5 . 1 1 36 36 SER N N 36 122.217 122.217 121.988 0.229 17822 2884 1 5 . 1 1 36 36 SER HA H 36 4.968 4.968 5.082 -0.114 17822 2885 1 5 . 1 1 36 36 SER CA C 36 56.602 56.602 57.002 -0.400 17822 2886 1 5 . 1 1 36 36 SER CB C 36 64.572 64.572 63.406 1.166 17822 2887 1 5 . 1 1 36 36 SER H H 36 8.422 8.422 8.128 0.294 17822 2888 1 5 . 1 1 37 37 LEU N N 37 128.938 128.938 125.503 3.435 17822 2889 1 5 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.868 0.113 17822 2890 1 5 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.420 0.061 17822 2891 1 5 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.324 0.052 17822 2892 1 5 . 1 1 37 37 LEU H H 37 8.916 8.916 7.644 1.272 17822 2893 1 5 . 1 1 38 38 ILE N N 38 128.296 128.296 115.520 12.776 17822 2894 1 5 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.966 0.006 17822 2895 1 5 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.679 0.166 17822 2896 1 5 . 1 1 38 38 ILE CB C 38 39.005 39.005 40.846 -1.841 17822 2897 1 5 . 1 1 38 38 ILE H H 38 8.740 8.740 8.404 0.336 17822 2898 1 5 . 1 1 39 39 ILE N N 39 125.429 125.429 124.624 0.805 17822 2899 1 5 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.790 -0.391 17822 2900 1 5 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.438 -0.715 17822 2901 1 5 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.355 2.306 17822 2902 1 5 . 1 1 39 39 ILE H H 39 8.960 8.960 8.254 0.706 17822 2903 1 5 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.801 -0.394 17822 2904 1 5 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.520 5.662 17822 2905 1 5 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.175 0.196 17822 2906 1 5 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.396 -0.575 17822 2907 1 5 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.504 3.311 17822 2908 1 5 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.800 0.377 17822 2909 1 5 . 1 1 42 42 LYS N N 42 113.683 113.683 117.004 -3.321 17822 2910 1 5 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.422 -0.466 17822 2911 1 5 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.014 0.792 17822 2912 1 5 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.158 -1.976 17822 2913 1 5 . 1 1 42 42 LYS H H 42 8.004 8.004 8.219 -0.215 17822 2914 1 5 . 1 1 43 43 ASP N N 43 121.628 121.628 117.660 3.968 17822 2915 1 5 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.660 -0.225 17822 2916 1 5 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.774 -0.268 17822 2917 1 5 . 1 1 43 43 ASP CB C 43 42.215 42.215 42.841 -0.626 17822 2918 1 5 . 1 1 43 43 ASP H H 43 7.290 7.290 7.532 -0.242 17822 2919 1 5 . 1 1 44 44 GLN N N 44 117.587 117.587 117.265 0.322 17822 2920 1 5 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.629 -0.092 17822 2921 1 5 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.593 -0.654 17822 2922 1 5 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.070 0.474 17822 2923 1 5 . 1 1 44 44 GLN H H 44 9.610 9.610 8.376 1.234 17822 2924 1 5 . 1 1 45 45 ILE N N 45 126.939 126.939 123.541 3.398 17822 2925 1 5 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.689 -0.388 17822 2926 1 5 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.424 -1.140 17822 2927 1 5 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.435 -1.802 17822 2928 1 5 . 1 1 45 45 ILE H H 45 8.806 8.806 9.078 -0.272 17822 2929 1 5 . 1 1 46 46 SER N N 46 113.239 113.239 114.097 -0.858 17822 2930 1 5 . 1 1 46 46 SER HA H 46 3.931 3.931 4.146 -0.215 17822 2931 1 5 . 1 1 46 46 SER CA C 46 60.762 60.762 60.982 -0.220 17822 2932 1 5 . 1 1 46 46 SER CB C 46 61.464 61.464 62.929 -1.465 17822 2933 1 5 . 1 1 46 46 SER H H 46 8.476 8.476 8.460 0.016 17822 2934 1 5 . 1 1 47 47 ARG N N 47 124.530 124.530 122.675 1.855 17822 2935 1 5 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.040 -0.249 17822 2936 1 5 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.914 0.013 17822 2937 1 5 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.648 0.934 17822 2938 1 5 . 1 1 47 47 ARG H H 47 6.731 6.731 7.639 -0.908 17822 2939 1 5 . 1 1 48 48 VAL N N 48 121.935 121.935 118.746 3.189 17822 2940 1 5 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.694 -0.547 17822 2941 1 5 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.558 -0.350 17822 2942 1 5 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.299 0.169 17822 2943 1 5 . 1 1 48 48 VAL H H 48 7.257 7.257 7.594 -0.337 17822 2944 1 5 . 1 1 49 49 ALA N N 49 122.345 122.345 120.024 2.321 17822 2945 1 5 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.001 -0.119 17822 2946 1 5 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.929 0.214 17822 2947 1 5 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.198 -0.548 17822 2948 1 5 . 1 1 49 49 ALA H H 49 8.864 8.864 7.791 1.073 17822 2949 1 5 . 1 1 50 50 LYS N N 50 120.376 120.376 119.802 0.574 17822 2950 1 5 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.167 -0.264 17822 2951 1 5 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.655 0.272 17822 2952 1 5 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.405 -0.819 17822 2953 1 5 . 1 1 50 50 LYS H H 50 7.380 7.380 7.720 -0.340 17822 2954 1 5 . 1 1 51 51 MET N N 51 121.641 121.641 118.100 3.541 17822 2955 1 5 . 1 1 51 51 MET HA H 51 3.935 3.935 4.156 -0.221 17822 2956 1 5 . 1 1 51 51 MET CA C 51 58.927 58.927 58.592 0.335 17822 2957 1 5 . 1 1 51 51 MET CB C 51 30.734 30.734 32.045 -1.312 17822 2958 1 5 . 1 1 51 51 MET H H 51 7.508 7.508 7.909 -0.401 17822 2959 1 5 . 1 1 52 52 LEU N N 52 120.125 120.125 120.199 -0.074 17822 2960 1 5 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.209 -0.552 17822 2961 1 5 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.998 0.439 17822 2962 1 5 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.844 -0.290 17822 2963 1 5 . 1 1 52 52 LEU H H 52 8.203 8.203 7.817 0.386 17822 2964 1 5 . 1 1 53 53 ALA N N 53 123.639 123.639 122.111 1.528 17822 2965 1 5 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.853 0.092 17822 2966 1 5 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.444 -0.645 17822 2967 1 5 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.776 -0.527 17822 2968 1 5 . 1 1 53 53 ALA H H 53 7.775 7.775 7.643 0.132 17822 2969 1 5 . 1 1 54 54 ASP N N 54 123.165 123.165 118.305 4.860 17822 2970 1 5 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.440 -0.111 17822 2971 1 5 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.112 0.095 17822 2972 1 5 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.798 -1.694 17822 2973 1 5 . 1 1 54 54 ASP H H 54 8.156 8.156 7.683 0.473 17822 2974 1 5 . 1 1 55 55 GLU N N 55 122.017 122.017 119.409 2.608 17822 2975 1 5 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.039 -0.163 17822 2976 1 5 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.024 -0.441 17822 2977 1 5 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.385 -0.366 17822 2978 1 5 . 1 1 55 55 GLU H H 55 8.221 8.221 7.602 0.619 17822 2979 1 5 . 1 1 56 56 PHE N N 56 123.334 123.334 121.531 1.803 17822 2980 1 5 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.245 0.436 17822 2981 1 5 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.373 0.142 17822 2982 1 5 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.822 0.390 17822 2983 1 5 . 1 1 56 56 PHE H H 56 8.711 8.711 8.206 0.505 17822 2984 1 5 . 1 1 57 57 GLY N N 57 107.156 107.156 105.725 1.431 17822 2985 1 5 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.583 -0.100 17822 2986 1 5 . 1 1 57 57 GLY H H 57 7.985 7.985 8.061 -0.076 17822 2987 1 5 . 1 1 58 58 THR N N 58 118.940 118.940 116.344 2.596 17822 2988 1 5 . 1 1 58 58 THR HA H 58 4.062 4.062 4.284 -0.222 17822 2989 1 5 . 1 1 58 58 THR CA C 58 65.406 65.406 64.806 0.600 17822 2990 1 5 . 1 1 58 58 THR CB C 58 68.408 68.408 68.624 -0.216 17822 2991 1 5 . 1 1 58 58 THR H H 58 7.992 7.992 7.569 0.423 17822 2992 1 5 . 1 1 59 59 ALA N N 59 126.365 126.365 125.503 0.862 17822 2993 1 5 . 1 1 59 59 ALA HA H 59 3.928 3.928 3.974 -0.046 17822 2994 1 5 . 1 1 59 59 ALA CA C 59 53.939 53.939 55.158 -1.219 17822 2995 1 5 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.548 0.603 17822 2996 1 5 . 1 1 59 59 ALA H H 59 8.351 8.351 8.180 0.171 17822 2997 1 5 . 1 1 60 60 SER N N 60 112.435 112.435 112.075 0.360 17822 2998 1 5 . 1 1 60 60 SER HA H 60 4.632 4.632 4.102 0.530 17822 2999 1 5 . 1 1 60 60 SER CA C 60 61.220 61.220 60.202 1.018 17822 3000 1 5 . 1 1 60 60 SER CB C 60 62.686 62.686 62.869 -0.183 17822 3001 1 5 . 1 1 60 60 SER H H 60 7.459 7.459 7.737 -0.278 17822 3002 1 5 . 1 1 61 61 ASN N N 61 116.971 116.971 118.440 -1.469 17822 3003 1 5 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.600 -0.087 17822 3004 1 5 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.777 -0.755 17822 3005 1 5 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.698 0.307 17822 3006 1 5 . 1 1 61 61 ASN H H 61 7.372 7.372 7.901 -0.529 17822 3007 1 5 . 1 1 62 62 ILE N N 62 123.980 123.980 122.229 1.751 17822 3008 1 5 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.820 -0.184 17822 3009 1 5 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.909 0.519 17822 3010 1 5 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.846 -0.416 17822 3011 1 5 . 1 1 62 62 ILE H H 62 7.461 7.461 7.539 -0.078 17822 3012 1 5 . 1 1 63 63 LYS N N 63 128.982 128.982 126.237 2.745 17822 3013 1 5 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.118 -0.321 17822 3014 1 5 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.776 0.923 17822 3015 1 5 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.339 0.367 17822 3016 1 5 . 1 1 63 63 LYS H H 63 8.417 8.417 8.419 -0.002 17822 3017 1 5 . 1 1 64 64 SER N N 64 114.306 114.306 117.934 -3.628 17822 3018 1 5 . 1 1 64 64 SER HA H 64 4.616 4.616 4.453 0.163 17822 3019 1 5 . 1 1 64 64 SER CA C 64 56.749 56.749 57.872 -1.123 17822 3020 1 5 . 1 1 64 64 SER CB C 64 62.962 62.962 63.334 -0.372 17822 3021 1 5 . 1 1 64 64 SER H H 64 7.599 7.599 8.159 -0.560 17822 3022 1 5 . 1 1 65 65 ARG N N 65 132.125 132.125 128.280 3.845 17822 3023 1 5 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.906 0.400 17822 3024 1 5 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.704 0.198 17822 3025 1 5 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.955 3.143 17822 3026 1 5 . 1 1 65 65 ARG H H 65 8.689 8.689 8.862 -0.173 17822 3027 1 5 . 1 1 66 66 VAL N N 66 116.947 116.947 118.980 -2.033 17822 3028 1 5 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.524 0.027 17822 3029 1 5 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.165 -0.702 17822 3030 1 5 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.221 0.365 17822 3031 1 5 . 1 1 66 66 VAL H H 66 7.946 7.946 8.300 -0.354 17822 3032 1 5 . 1 1 67 67 ASN N N 67 119.499 119.499 117.209 2.290 17822 3033 1 5 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.395 0.017 17822 3034 1 5 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.081 -0.708 17822 3035 1 5 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.033 0.003 17822 3036 1 5 . 1 1 67 67 ASN H H 67 7.386 7.386 7.747 -0.361 17822 3037 1 5 . 1 1 68 68 ARG N N 68 122.132 122.132 121.826 0.306 17822 3038 1 5 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.933 -0.339 17822 3039 1 5 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.496 0.302 17822 3040 1 5 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.042 0.517 17822 3041 1 5 . 1 1 68 68 ARG H H 68 8.566 8.566 7.661 0.905 17822 3042 1 5 . 1 1 69 69 LEU N N 69 116.564 116.564 118.288 -1.724 17822 3043 1 5 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.231 -0.448 17822 3044 1 5 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.242 0.653 17822 3045 1 5 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.818 -0.209 17822 3046 1 5 . 1 1 69 69 LEU H H 69 8.167 8.167 8.637 -0.470 17822 3047 1 5 . 1 1 70 70 SER N N 70 116.805 116.805 113.967 2.838 17822 3048 1 5 . 1 1 70 70 SER HA H 70 4.132 4.132 4.275 -0.143 17822 3049 1 5 . 1 1 70 70 SER CA C 70 61.450 61.450 61.073 0.377 17822 3050 1 5 . 1 1 70 70 SER CB C 70 62.635 62.635 63.024 -0.389 17822 3051 1 5 . 1 1 70 70 SER H H 70 7.589 7.589 7.592 -0.003 17822 3052 1 5 . 1 1 71 71 VAL N N 71 124.991 124.991 122.619 2.372 17822 3053 1 5 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.783 -0.300 17822 3054 1 5 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.466 1.373 17822 3055 1 5 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.850 -0.201 17822 3056 1 5 . 1 1 71 71 VAL H H 71 7.934 7.934 8.327 -0.393 17822 3057 1 5 . 1 1 72 72 LEU N N 72 118.680 118.680 119.850 -1.170 17822 3058 1 5 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.089 -0.368 17822 3059 1 5 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.687 0.552 17822 3060 1 5 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.164 -0.866 17822 3061 1 5 . 1 1 72 72 LEU H H 72 8.354 8.354 8.687 -0.333 17822 3062 1 5 . 1 1 73 73 GLY N N 73 106.674 106.674 106.041 0.633 17822 3063 1 5 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.353 -0.408 17822 3064 1 5 . 1 1 73 73 GLY H H 73 8.052 8.052 7.937 0.115 17822 3065 1 5 . 1 1 74 74 ALA N N 74 127.313 127.313 124.662 2.651 17822 3066 1 5 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.227 -0.074 17822 3067 1 5 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.043 1.330 17822 3068 1 5 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.629 -0.823 17822 3069 1 5 . 1 1 74 74 ALA H H 74 7.784 7.784 7.439 0.345 17822 3070 1 5 . 1 1 75 75 ILE N N 75 119.310 119.310 119.135 0.175 17822 3071 1 5 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.684 -0.322 17822 3072 1 5 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.499 1.111 17822 3073 1 5 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.177 0.247 17822 3074 1 5 . 1 1 75 75 ILE H H 75 8.638 8.638 7.911 0.727 17822 3075 1 5 . 1 1 76 76 THR N N 76 116.205 116.205 113.340 2.865 17822 3076 1 5 . 1 1 76 76 THR HA H 76 4.227 4.227 3.968 0.259 17822 3077 1 5 . 1 1 76 76 THR CA C 76 66.782 66.782 67.026 -0.244 17822 3078 1 5 . 1 1 76 76 THR CB C 76 68.478 68.478 68.522 -0.044 17822 3079 1 5 . 1 1 76 76 THR H H 76 8.317 8.317 8.544 -0.227 17822 3080 1 5 . 1 1 77 77 SER N N 77 118.405 118.405 117.380 1.025 17822 3081 1 5 . 1 1 77 77 SER HA H 77 4.173 4.173 4.281 -0.108 17822 3082 1 5 . 1 1 77 77 SER CA C 77 62.482 62.482 61.144 1.338 17822 3083 1 5 . 1 1 77 77 SER CB C 77 63.484 63.484 63.151 0.333 17822 3084 1 5 . 1 1 77 77 SER H H 77 7.843 7.843 7.753 0.090 17822 3085 1 5 . 1 1 78 78 VAL N N 78 124.171 124.171 121.300 2.871 17822 3086 1 5 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.924 -0.351 17822 3087 1 5 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.924 0.800 17822 3088 1 5 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.655 -0.671 17822 3089 1 5 . 1 1 78 78 VAL H H 78 8.153 8.153 7.684 0.469 17822 3090 1 5 . 1 1 79 79 GLN N N 79 120.008 120.008 119.188 0.820 17822 3091 1 5 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.917 0.012 17822 3092 1 5 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.908 -0.522 17822 3093 1 5 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.326 0.453 17822 3094 1 5 . 1 1 79 79 GLN H H 79 8.688 8.688 8.683 0.005 17822 3095 1 5 . 1 1 80 80 GLN N N 80 116.870 116.870 116.919 -0.049 17822 3096 1 5 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.110 -0.335 17822 3097 1 5 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.508 0.018 17822 3098 1 5 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.584 -0.607 17822 3099 1 5 . 1 1 80 80 GLN H H 80 7.850 7.850 7.783 0.067 17822 3100 1 5 . 1 1 81 81 ARG N N 81 119.074 119.074 119.399 -0.325 17822 3101 1 5 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.150 -0.158 17822 3102 1 5 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.748 -2.114 17822 3103 1 5 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.712 -2.390 17822 3104 1 5 . 1 1 81 81 ARG H H 81 7.520 7.520 7.765 -0.245 17822 3105 1 5 . 1 1 82 82 LEU N N 82 117.238 117.238 119.608 -2.370 17822 3106 1 5 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.261 -0.370 17822 3107 1 5 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.075 -0.638 17822 3108 1 5 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.306 -0.496 17822 3109 1 5 . 1 1 82 82 LEU H H 82 8.189 8.189 8.396 -0.207 17822 3110 1 5 . 1 1 83 83 LYS N N 83 114.899 114.899 118.759 -3.860 17822 3111 1 5 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.035 -0.090 17822 3112 1 5 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.901 -1.236 17822 3113 1 5 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.086 -0.099 17822 3114 1 5 . 1 1 83 83 LYS H H 83 7.064 7.064 7.663 -0.599 17822 3115 1 5 . 1 1 84 84 LEU N N 84 117.840 117.840 118.268 -0.428 17822 3116 1 5 . 1 1 84 84 LEU HA H 84 3.873 3.873 3.973 -0.100 17822 3117 1 5 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.544 -1.229 17822 3118 1 5 . 1 1 84 84 LEU CB C 84 40.929 40.929 42.024 -1.095 17822 3119 1 5 . 1 1 84 84 LEU H H 84 7.271 7.271 7.660 -0.389 17822 3120 1 5 . 1 1 85 85 TYR N N 85 119.720 119.720 115.977 3.743 17822 3121 1 5 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.548 -0.293 17822 3122 1 5 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.025 2.042 17822 3123 1 5 . 1 1 85 85 TYR CB C 85 39.068 39.068 35.751 3.317 17822 3124 1 5 . 1 1 85 85 TYR H H 85 7.633 7.633 7.229 0.404 17822 3125 1 5 . 1 1 86 86 ASN N N 86 119.638 119.638 119.754 -0.116 17822 3126 1 5 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.345 0.129 17822 3127 1 5 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.658 -1.776 17822 3128 1 5 . 1 1 86 86 ASN CB C 86 38.742 38.742 39.065 -0.323 17822 3129 1 5 . 1 1 86 86 ASN H H 86 8.622 8.622 7.799 0.823 17822 3130 1 5 . 1 1 87 87 LYS N N 87 116.321 116.321 118.821 -2.500 17822 3131 1 5 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.316 0.182 17822 3132 1 5 . 1 1 87 87 LYS CA C 87 54.169 54.169 56.035 -1.866 17822 3133 1 5 . 1 1 87 87 LYS CB C 87 34.673 34.673 33.493 1.180 17822 3134 1 5 . 1 1 87 87 LYS H H 87 7.631 7.631 7.852 -0.221 17822 3135 1 5 . 1 1 88 88 VAL N N 88 125.141 125.141 118.112 7.029 17822 3136 1 5 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.473 -0.851 17822 3137 1 5 . 1 1 88 88 VAL CA C 88 61.966 61.966 56.868 5.098 17822 3138 1 5 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.900 1.388 17822 3139 1 5 . 1 1 88 88 VAL H H 88 8.357 8.357 8.145 0.212 17822 3140 1 5 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.746 -0.493 17822 3141 1 5 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.403 1.937 17822 3142 1 5 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.068 0.486 17822 3143 1 5 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.270 0.230 17822 3144 1 5 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.260 0.719 17822 3145 1 5 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.065 0.123 17822 3146 1 5 . 1 1 91 91 ASN N N 91 112.735 112.735 116.121 -3.386 17822 3147 1 5 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.515 0.140 17822 3148 1 5 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.447 -1.571 17822 3149 1 5 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.624 -1.181 17822 3150 1 5 . 1 1 91 91 ASN H H 91 9.163 9.163 8.557 0.606 17822 3151 1 5 . 1 1 92 92 GLY N N 92 108.893 108.893 106.952 1.941 17822 3152 1 5 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.742 -1.301 17822 3153 1 5 . 1 1 92 92 GLY H H 92 7.898 7.898 7.343 0.555 17822 3154 1 5 . 1 1 93 93 LEU N N 93 117.751 117.751 126.356 -8.605 17822 3155 1 5 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.264 0.060 17822 3156 1 5 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.324 -0.557 17822 3157 1 5 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.296 5.231 17822 3158 1 5 . 1 1 93 93 LEU H H 93 8.508 8.508 7.628 0.880 17822 3159 1 5 . 1 1 94 94 VAL N N 94 126.296 126.296 128.188 -1.892 17822 3160 1 5 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.771 -0.421 17822 3161 1 5 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.002 -0.527 17822 3162 1 5 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.496 -0.328 17822 3163 1 5 . 1 1 94 94 VAL H H 94 8.168 8.168 7.987 0.181 17822 3164 1 5 . 1 1 95 95 VAL N N 95 125.531 125.531 118.496 7.035 17822 3165 1 5 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.932 -0.792 17822 3166 1 5 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.902 0.401 17822 3167 1 5 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.123 1.072 17822 3168 1 5 . 1 1 95 95 VAL H H 95 8.744 8.744 8.303 0.441 17822 3169 1 5 . 1 1 96 96 TYR N N 96 123.577 123.577 124.216 -0.639 17822 3170 1 5 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.585 -0.253 17822 3171 1 5 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.964 0.613 17822 3172 1 5 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.574 0.046 17822 3173 1 5 . 1 1 96 96 TYR H H 96 8.698 8.698 9.232 -0.534 17822 3174 1 5 . 1 1 97 97 CYS N N 97 120.144 120.144 123.541 -3.397 17822 3175 1 5 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.814 -0.266 17822 3176 1 5 . 1 1 97 97 CYS CA C 97 56.577 56.577 56.641 -0.064 17822 3177 1 5 . 1 1 97 97 CYS CB C 97 31.786 31.786 29.991 1.795 17822 3178 1 5 . 1 1 97 97 CYS H H 97 8.796 8.796 8.189 0.607 17822 3179 1 5 . 1 1 98 98 GLY N N 98 112.534 112.534 115.072 -2.538 17822 3180 1 5 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.344 0.454 17822 3181 1 5 . 1 1 98 98 GLY H H 98 8.776 8.776 8.288 0.488 17822 3182 1 5 . 1 1 99 99 THR N N 99 119.083 119.083 116.494 2.589 17822 3183 1 5 . 1 1 99 99 THR HA H 99 4.821 4.821 5.518 -0.697 17822 3184 1 5 . 1 1 99 99 THR CA C 99 62.294 62.294 61.392 0.902 17822 3185 1 5 . 1 1 99 99 THR CB C 99 69.781 69.781 71.829 -2.049 17822 3186 1 5 . 1 1 99 99 THR H H 99 8.168 8.168 8.355 -0.187 17822 3187 1 5 . 1 1 100 100 ILE N N 100 122.250 122.250 122.230 0.020 17822 3188 1 5 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.660 -0.083 17822 3189 1 5 . 1 1 100 100 ILE CA C 100 58.583 58.583 59.186 -0.603 17822 3190 1 5 . 1 1 100 100 ILE CB C 100 40.509 40.509 41.039 -0.530 17822 3191 1 5 . 1 1 100 100 ILE H H 100 8.838 8.838 8.687 0.151 17822 3192 1 5 . 1 1 101 101 VAL N N 101 120.622 120.622 123.999 -3.377 17822 3193 1 5 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.817 -0.167 17822 3194 1 5 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.262 1.328 17822 3195 1 5 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.465 -1.576 17822 3196 1 5 . 1 1 101 101 VAL H H 101 8.310 8.310 8.304 0.006 17822 3197 1 5 . 1 1 102 102 THR N N 102 118.661 118.661 120.437 -1.776 17822 3198 1 5 . 1 1 102 102 THR HA H 102 4.658 4.658 4.640 0.018 17822 3199 1 5 . 1 1 102 102 THR CA C 102 60.590 60.590 60.401 0.188 17822 3200 1 5 . 1 1 102 102 THR CB C 102 71.189 71.189 70.213 0.976 17822 3201 1 5 . 1 1 102 102 THR H H 102 8.867 8.867 8.147 0.720 17822 3202 1 5 . 1 1 103 103 GLU N N 103 121.906 121.906 120.714 1.192 17822 3203 1 5 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.062 -0.144 17822 3204 1 5 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.716 0.211 17822 3205 1 5 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.212 -0.282 17822 3206 1 5 . 1 1 103 103 GLU H H 103 9.243 9.243 8.804 0.439 17822 3207 1 5 . 1 1 104 104 GLU N N 104 116.013 116.013 119.090 -3.077 17822 3208 1 5 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.145 0.029 17822 3209 1 5 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.124 0.109 17822 3210 1 5 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.192 0.275 17822 3211 1 5 . 1 1 104 104 GLU H H 104 7.716 7.716 7.779 -0.063 17822 3212 1 5 . 1 1 105 105 GLY N N 105 109.001 109.001 107.605 1.396 17822 3213 1 5 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.279 -0.573 17822 3214 1 5 . 1 1 105 105 GLY H H 105 8.045 8.045 7.910 0.135 17822 3215 1 5 . 1 1 106 106 LYS N N 106 119.559 119.559 119.011 0.548 17822 3216 1 5 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.658 -0.327 17822 3217 1 5 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.443 0.012 17822 3218 1 5 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.805 -0.383 17822 3219 1 5 . 1 1 106 106 LYS H H 106 6.924 6.924 7.549 -0.625 17822 3220 1 5 . 1 1 107 107 GLU N N 107 121.771 121.771 124.028 -2.257 17822 3221 1 5 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.340 0.614 17822 3222 1 5 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.393 -0.791 17822 3223 1 5 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.732 0.553 17822 3224 1 5 . 1 1 107 107 GLU H H 107 8.371 8.371 8.729 -0.358 17822 3225 1 5 . 1 1 108 108 LYS N N 108 125.216 125.216 122.030 3.186 17822 3226 1 5 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.446 -0.006 17822 3227 1 5 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.436 -0.350 17822 3228 1 5 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.572 1.343 17822 3229 1 5 . 1 1 108 108 LYS H H 108 8.946 8.946 8.093 0.853 17822 3230 1 5 . 1 1 109 109 LYS N N 109 125.136 125.136 128.057 -2.921 17822 3231 1 5 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.530 0.106 17822 3232 1 5 . 1 1 109 109 LYS CA C 109 55.774 55.774 55.998 -0.224 17822 3233 1 5 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.165 0.635 17822 3234 1 5 . 1 1 109 109 LYS H H 109 8.548 8.548 8.603 -0.055 17822 3235 1 5 . 1 1 110 110 VAL N N 110 125.626 125.626 128.291 -2.665 17822 3236 1 5 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.110 -0.034 17822 3237 1 5 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.402 -0.838 17822 3238 1 5 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.678 1.214 17822 3239 1 5 . 1 1 110 110 VAL H H 110 8.850 8.850 9.015 -0.165 17822 3240 1 5 . 1 1 111 111 ASN N N 111 126.837 126.837 126.293 0.544 17822 3241 1 5 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.425 -0.137 17822 3242 1 5 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.222 1.087 17822 3243 1 5 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.071 0.398 17822 3244 1 5 . 1 1 111 111 ASN H H 111 8.711 8.711 8.382 0.329 17822 3245 1 5 . 1 1 112 112 ILE N N 112 125.729 125.729 123.989 1.740 17822 3246 1 5 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.466 -0.082 17822 3247 1 5 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.098 -0.909 17822 3248 1 5 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.022 -0.170 17822 3249 1 5 . 1 1 112 112 ILE H H 112 8.931 8.931 8.561 0.370 17822 3250 1 5 . 1 1 113 113 ASP N N 113 122.734 122.734 123.575 -0.841 17822 3251 1 5 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.866 -0.076 17822 3252 1 5 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.371 -1.166 17822 3253 1 5 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.729 -0.208 17822 3254 1 5 . 1 1 113 113 ASP H H 113 8.116 8.116 8.421 -0.305 17822 3255 1 5 . 1 1 114 114 PHE N N 114 116.385 116.385 117.721 -1.336 17822 3256 1 5 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.807 -0.104 17822 3257 1 5 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.637 -0.175 17822 3258 1 5 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.173 -0.466 17822 3259 1 5 . 1 1 114 114 PHE H H 114 8.613 8.613 8.228 0.385 17822 3260 1 5 . 1 1 115 115 GLU N N 115 124.642 124.642 120.661 3.981 17822 3261 1 5 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.562 0.231 17822 3262 1 5 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.620 -0.917 17822 3263 1 5 . 1 1 115 115 GLU CB C 115 31.125 31.125 30.042 1.083 17822 3264 1 5 . 1 1 115 115 GLU H H 115 8.591 8.591 8.529 0.062 17822 3265 1 5 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.276 0.307 17822 3266 1 5 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.421 -0.070 17822 3267 1 5 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.238 -1.276 17822 3268 1 5 . 1 1 117 117 PHE N N 117 116.676 116.676 114.185 2.491 17822 3269 1 5 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.487 -0.293 17822 3270 1 5 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.137 0.502 17822 3271 1 5 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.480 -1.728 17822 3272 1 5 . 1 1 117 117 PHE H H 117 7.842 7.842 8.196 -0.354 17822 3273 1 5 . 1 1 118 118 LYS N N 118 118.589 118.589 119.073 -0.484 17822 3274 1 5 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.290 -0.107 17822 3275 1 5 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.339 -0.005 17822 3276 1 5 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.008 2.185 17822 3277 1 5 . 1 1 118 118 LYS H H 118 6.889 6.889 7.016 -0.127 17822 3278 1 5 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.507 0.016 17822 3279 1 5 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.210 0.406 17822 3280 1 5 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.474 -0.302 17822 3281 1 5 . 1 1 120 120 ILE N N 120 121.968 121.968 122.600 -0.632 17822 3282 1 5 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.138 -0.232 17822 3283 1 5 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.806 1.612 17822 3284 1 5 . 1 1 120 120 ILE CB C 120 38.805 38.805 37.687 1.118 17822 3285 1 5 . 1 1 120 120 ILE H H 120 7.440 7.440 7.759 -0.319 17822 3286 1 5 . 1 1 121 121 ASN N N 121 120.951 120.951 127.278 -6.327 17822 3287 1 5 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.375 0.257 17822 3288 1 5 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.175 -1.293 17822 3289 1 5 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.615 0.683 17822 3290 1 5 . 1 1 121 121 ASN H H 121 8.112 8.112 8.735 -0.623 17822 3291 1 5 . 1 1 122 122 GLN N N 122 118.826 118.826 116.527 2.299 17822 3292 1 5 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.556 -0.144 17822 3293 1 5 . 1 1 122 122 GLN CA C 122 54.398 54.398 55.118 -0.720 17822 3294 1 5 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.923 -0.437 17822 3295 1 5 . 1 1 122 122 GLN H H 122 7.009 7.009 7.631 -0.622 17822 3296 1 5 . 1 1 123 123 PHE N N 123 122.795 122.795 118.753 4.042 17822 3297 1 5 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.468 0.246 17822 3298 1 5 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.680 -0.473 17822 3299 1 5 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.558 1.160 17822 3300 1 5 . 1 1 123 123 PHE H H 123 8.335 8.335 8.639 -0.304 17822 3301 1 5 . 1 1 124 124 MET N N 124 126.990 126.990 126.777 0.213 17822 3302 1 5 . 1 1 124 124 MET HA H 124 3.984 3.984 4.464 -0.480 17822 3303 1 5 . 1 1 124 124 MET CA C 124 54.799 54.799 54.460 0.339 17822 3304 1 5 . 1 1 124 124 MET CB C 124 37.330 37.330 36.194 1.136 17822 3305 1 5 . 1 1 124 124 MET H H 124 7.992 7.992 8.541 -0.549 17822 3306 1 5 . 1 1 125 125 TYR N N 125 122.216 122.216 125.187 -2.971 17822 3307 1 5 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.478 0.426 17822 3308 1 5 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.212 -0.463 17822 3309 1 5 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.410 0.743 17822 3310 1 5 . 1 1 125 125 TYR H H 125 7.552 7.552 8.134 -0.582 17822 3311 1 5 . 1 1 126 126 PHE N N 126 124.584 124.584 118.686 5.898 17822 3312 1 5 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.665 -0.590 17822 3313 1 5 . 1 1 126 126 PHE CA C 126 56.405 56.405 56.003 0.402 17822 3314 1 5 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.388 4.031 17822 3315 1 5 . 1 1 126 126 PHE H H 126 8.271 8.271 6.483 1.788 17822 3316 1 5 . 1 1 127 127 CYS N N 127 124.011 124.011 120.167 3.844 17822 3317 1 5 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.556 0.240 17822 3318 1 5 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.888 -0.048 17822 3319 1 5 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.507 -4.576 17822 3320 1 5 . 1 1 127 127 CYS H H 127 8.442 8.442 8.952 -0.510 17822 3321 1 5 . 1 1 128 128 ASP N N 128 127.486 127.486 122.101 5.385 17822 3322 1 5 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.582 0.424 17822 3323 1 5 . 1 1 128 128 ASP CA C 128 52.506 52.506 55.029 -2.523 17822 3324 1 5 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.240 3.156 17822 3325 1 5 . 1 1 128 128 ASP H H 128 8.907 8.907 8.411 0.496 17822 3326 1 5 . 1 1 129 129 ASN N N 129 119.092 119.092 118.746 0.346 17822 3327 1 5 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.309 0.355 17822 3328 1 5 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.232 -1.497 17822 3329 1 5 . 1 1 129 129 ASN CB C 129 37.902 37.902 38.014 -0.112 17822 3330 1 5 . 1 1 129 129 ASN H H 129 9.136 9.136 8.729 0.407 17822 3331 1 5 . 1 1 130 130 LYS N N 130 114.367 114.367 113.660 0.707 17822 3332 1 5 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.402 -0.239 17822 3333 1 5 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.278 -1.052 17822 3334 1 5 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.344 -0.253 17822 3335 1 5 . 1 1 130 130 LYS H H 130 7.115 7.115 7.207 -0.092 17822 3336 1 5 . 1 1 131 131 PHE N N 131 121.117 121.117 120.127 0.990 17822 3337 1 5 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.612 -0.097 17822 3338 1 5 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.676 -1.526 17822 3339 1 5 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.308 -1.219 17822 3340 1 5 . 1 1 131 131 PHE H H 131 9.291 9.291 8.740 0.551 17822 3341 1 5 . 1 1 132 132 HIS N N 132 121.897 121.897 123.098 -1.201 17822 3342 1 5 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.831 -0.448 17822 3343 1 5 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.570 0.433 17822 3344 1 5 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.774 -2.431 17822 3345 1 5 . 1 1 132 132 HIS H H 132 9.026 9.026 8.682 0.344 17822 3346 1 5 . 1 1 133 133 THR N N 133 117.915 117.915 117.656 0.259 17822 3347 1 5 . 1 1 133 133 THR HA H 133 4.612 4.612 4.761 -0.149 17822 3348 1 5 . 1 1 133 133 THR CA C 133 61.679 61.679 61.556 0.123 17822 3349 1 5 . 1 1 133 133 THR CB C 133 73.856 73.856 70.866 2.990 17822 3350 1 5 . 1 1 133 133 THR H H 133 8.700 8.700 8.506 0.194 17822 3351 1 5 . 1 1 134 134 GLU N N 134 129.072 129.072 127.372 1.700 17822 3352 1 5 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.198 -0.219 17822 3353 1 5 . 1 1 134 134 GLU CA C 134 60.533 60.533 58.995 1.538 17822 3354 1 5 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.992 -2.489 17822 3355 1 5 . 1 1 134 134 GLU H H 134 10.805 10.805 8.527 2.278 17822 3356 1 5 . 1 1 135 135 ALA N N 135 122.099 122.099 121.699 0.400 17822 3357 1 5 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.082 -0.011 17822 3358 1 5 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.907 -0.394 17822 3359 1 5 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.779 0.982 17822 3360 1 5 . 1 1 135 135 ALA H H 135 8.590 8.590 8.667 -0.077 17822 3361 1 5 . 1 1 136 136 LEU N N 136 116.720 116.720 117.421 -0.701 17822 3362 1 5 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.169 -0.115 17822 3363 1 5 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.634 -1.057 17822 3364 1 5 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.695 -0.384 17822 3365 1 5 . 1 1 136 136 LEU H H 136 7.471 7.471 7.642 -0.171 17822 3366 1 5 . 1 1 137 137 THR N N 137 117.177 117.177 113.856 3.321 17822 3367 1 5 . 1 1 137 137 THR HA H 137 4.005 4.005 4.073 -0.068 17822 3368 1 5 . 1 1 137 137 THR CA C 137 66.610 66.610 65.217 1.393 17822 3369 1 5 . 1 1 137 137 THR CB C 137 67.980 67.980 68.811 -0.831 17822 3370 1 5 . 1 1 137 137 THR H H 137 8.044 8.044 7.620 0.424 17822 3371 1 5 . 1 1 138 138 ALA N N 138 124.719 124.719 123.481 1.238 17822 3372 1 5 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.338 -0.337 17822 3373 1 5 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.281 0.634 17822 3374 1 5 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.664 -1.167 17822 3375 1 5 . 1 1 138 138 ALA H H 138 7.695 7.695 8.357 -0.662 17822 3376 1 5 . 1 1 139 139 LEU N N 139 120.059 120.059 120.522 -0.463 17822 3377 1 5 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.980 0.019 17822 3378 1 5 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.974 -0.480 17822 3379 1 5 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.910 0.902 17822 3380 1 5 . 1 1 139 139 LEU H H 139 7.345 7.345 7.612 -0.267 17822 3381 1 5 . 1 1 140 140 LEU N N 140 117.771 117.771 118.699 -0.928 17822 3382 1 5 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.009 -0.052 17822 3383 1 5 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.564 -1.586 17822 3384 1 5 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.785 -0.546 17822 3385 1 5 . 1 1 140 140 LEU H H 140 7.748 7.748 7.858 -0.110 17822 3386 1 5 . 1 1 141 141 SER N N 141 114.778 114.778 112.447 2.331 17822 3387 1 5 . 1 1 141 141 SER HA H 141 4.107 4.107 4.225 -0.118 17822 3388 1 5 . 1 1 141 141 SER CA C 141 60.647 60.647 60.532 0.114 17822 3389 1 5 . 1 1 141 141 SER CB C 141 62.650 62.650 62.963 -0.313 17822 3390 1 5 . 1 1 141 141 SER H H 141 7.807 7.807 7.397 0.410 17822 3391 1 5 . 1 1 142 142 ASP N N 142 121.827 121.827 121.649 0.178 17822 3392 1 5 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.547 -0.189 17822 3393 1 5 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.161 -0.100 17822 3394 1 5 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.307 -0.698 17822 3395 1 5 . 1 1 142 142 ASP H H 142 7.878 7.878 8.139 -0.261 17822 3396 1 5 . 1 1 143 143 LEU N N 143 120.220 120.220 119.424 0.796 17822 3397 1 5 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.131 -0.159 17822 3398 1 5 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.756 -0.294 17822 3399 1 5 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.578 -0.364 17822 3400 1 5 . 1 1 143 143 LEU H H 143 7.846 7.846 8.181 -0.335 17822 3401 1 6 . 1 1 2 2 ALA N N 2 125.964 125.964 123.111 2.853 17822 3402 1 6 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.537 0.075 17822 3403 1 6 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.191 0.101 17822 3404 1 6 . 1 1 2 2 ALA H H 2 8.065 8.065 7.789 0.276 17822 3405 1 6 . 1 1 3 3 ASP N N 3 119.188 119.188 119.457 -0.269 17822 3406 1 6 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.424 0.186 17822 3407 1 6 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.670 -0.788 17822 3408 1 6 . 1 1 3 3 ASP CB C 3 40.810 40.810 40.307 0.503 17822 3409 1 6 . 1 1 3 3 ASP H H 3 8.203 8.203 8.446 -0.243 17822 3410 1 6 . 1 1 4 4 ASP N N 4 121.607 121.607 118.702 2.905 17822 3411 1 6 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.754 -0.382 17822 3412 1 6 . 1 1 4 4 ASP CA C 4 51.761 51.761 53.135 -1.374 17822 3413 1 6 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.934 -1.024 17822 3414 1 6 . 1 1 4 4 ASP H H 4 7.954 7.954 8.116 -0.162 17822 3415 1 6 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.379 -0.127 17822 3416 1 6 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.599 -1.231 17822 3417 1 6 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.126 -0.267 17822 3418 1 6 . 1 1 6 6 SER N N 6 115.864 115.864 115.093 0.771 17822 3419 1 6 . 1 1 6 6 SER HA H 6 4.252 4.252 4.425 -0.173 17822 3420 1 6 . 1 1 6 6 SER CA C 6 58.870 58.870 59.798 -0.928 17822 3421 1 6 . 1 1 6 6 SER CB C 6 63.368 63.368 62.925 0.443 17822 3422 1 6 . 1 1 6 6 SER H H 6 8.310 8.310 8.222 0.088 17822 3423 1 6 . 1 1 7 7 ALA N N 7 125.955 125.955 124.333 1.622 17822 3424 1 6 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.235 -0.236 17822 3425 1 6 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.992 -0.683 17822 3426 1 6 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.282 0.269 17822 3427 1 6 . 1 1 7 7 ALA H H 7 7.854 7.854 8.294 -0.440 17822 3428 1 6 . 1 1 8 8 ALA N N 8 122.354 122.354 121.100 1.254 17822 3429 1 6 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.952 -0.155 17822 3430 1 6 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.243 -1.648 17822 3431 1 6 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.385 0.067 17822 3432 1 6 . 1 1 8 8 ALA H H 8 7.910 7.910 7.684 0.226 17822 3433 1 6 . 1 1 9 9 ASP N N 9 119.431 119.431 117.351 2.080 17822 3434 1 6 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.339 -0.020 17822 3435 1 6 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.064 -1.921 17822 3436 1 6 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.377 0.246 17822 3437 1 6 . 1 1 9 9 ASP H H 9 7.970 7.970 7.966 0.004 17822 3438 1 6 . 1 1 10 10 ARG N N 10 122.263 122.263 121.043 1.220 17822 3439 1 6 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.225 -0.389 17822 3440 1 6 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.214 -1.433 17822 3441 1 6 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.307 -0.426 17822 3442 1 6 . 1 1 10 10 ARG H H 10 8.036 8.036 7.910 0.126 17822 3443 1 6 . 1 1 11 11 ASN N N 11 118.325 118.325 117.042 1.283 17822 3444 1 6 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.451 -0.148 17822 3445 1 6 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.928 -0.784 17822 3446 1 6 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.395 -0.593 17822 3447 1 6 . 1 1 11 11 ASN H H 11 8.077 8.077 7.721 0.356 17822 3448 1 6 . 1 1 12 12 VAL N N 12 122.103 122.103 121.244 0.859 17822 3449 1 6 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.678 0.937 17822 3450 1 6 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.696 -0.075 17822 3451 1 6 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.182 0.304 17822 3452 1 6 . 1 1 12 12 VAL H H 12 7.741 7.741 7.693 0.048 17822 3453 1 6 . 1 1 13 13 GLU N N 13 120.785 120.785 119.979 0.806 17822 3454 1 6 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.857 -0.623 17822 3455 1 6 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.360 5.701 17822 3456 1 6 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.870 0.898 17822 3457 1 6 . 1 1 13 13 GLU H H 13 7.751 7.751 7.935 -0.184 17822 3458 1 6 . 1 1 14 14 ILE N N 14 120.199 120.199 120.250 -0.051 17822 3459 1 6 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.511 0.277 17822 3460 1 6 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.559 -5.378 17822 3461 1 6 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.327 -1.333 17822 3462 1 6 . 1 1 14 14 ILE H H 14 7.650 7.650 7.158 0.492 17822 3463 1 6 . 1 1 15 15 TRP N N 15 120.828 120.828 117.630 3.198 17822 3464 1 6 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.614 -0.561 17822 3465 1 6 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.576 3.014 17822 3466 1 6 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.680 -0.235 17822 3467 1 6 . 1 1 15 15 TRP H H 15 7.759 7.759 7.137 0.622 17822 3468 1 6 . 1 1 16 16 LYS N N 16 119.063 119.063 122.309 -3.246 17822 3469 1 6 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.160 -0.670 17822 3470 1 6 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.129 1.840 17822 3471 1 6 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.983 0.195 17822 3472 1 6 . 1 1 16 16 LYS H H 16 7.963 7.963 7.731 0.232 17822 3473 1 6 . 1 1 17 17 ILE N N 17 120.609 120.609 119.429 1.180 17822 3474 1 6 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.820 -0.209 17822 3475 1 6 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.536 -1.080 17822 3476 1 6 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.513 -1.215 17822 3477 1 6 . 1 1 17 17 ILE H H 17 7.630 7.630 8.472 -0.842 17822 3478 1 6 . 1 1 18 18 LYS N N 18 121.687 121.687 118.779 2.908 17822 3479 1 6 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.048 -0.465 17822 3480 1 6 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.382 1.548 17822 3481 1 6 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.587 0.495 17822 3482 1 6 . 1 1 18 18 LYS H H 18 8.297 8.297 7.779 0.518 17822 3483 1 6 . 1 1 19 19 LYS N N 19 119.253 119.253 119.080 0.173 17822 3484 1 6 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.127 -0.510 17822 3485 1 6 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.665 0.320 17822 3486 1 6 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.292 -0.433 17822 3487 1 6 . 1 1 19 19 LYS H H 19 7.685 7.685 7.734 -0.049 17822 3488 1 6 . 1 1 20 20 LEU N N 20 123.001 123.001 121.152 1.849 17822 3489 1 6 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.063 -0.238 17822 3490 1 6 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.636 0.145 17822 3491 1 6 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.699 -0.288 17822 3492 1 6 . 1 1 20 20 LEU H H 20 7.509 7.509 7.167 0.342 17822 3493 1 6 . 1 1 21 21 ILE N N 21 119.392 119.392 119.375 0.017 17822 3494 1 6 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.755 -0.685 17822 3495 1 6 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.015 3.480 17822 3496 1 6 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.078 1.125 17822 3497 1 6 . 1 1 21 21 ILE H H 21 8.474 8.474 8.064 0.410 17822 3498 1 6 . 1 1 22 22 LYS N N 22 117.524 117.524 118.856 -1.332 17822 3499 1 6 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.045 -0.239 17822 3500 1 6 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.223 -0.410 17822 3501 1 6 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.190 -0.303 17822 3502 1 6 . 1 1 22 22 LYS H H 22 7.300 7.300 7.520 -0.220 17822 3503 1 6 . 1 1 23 23 SER N N 23 114.880 114.880 114.263 0.617 17822 3504 1 6 . 1 1 23 23 SER HA H 23 4.008 4.008 4.292 -0.284 17822 3505 1 6 . 1 1 23 23 SER CA C 23 61.106 61.106 60.711 0.395 17822 3506 1 6 . 1 1 23 23 SER CB C 23 62.587 62.587 63.556 -0.968 17822 3507 1 6 . 1 1 23 23 SER H H 23 7.653 7.653 7.553 0.100 17822 3508 1 6 . 1 1 24 24 LEU N N 24 121.607 121.607 123.436 -1.829 17822 3509 1 6 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.409 0.463 17822 3510 1 6 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.666 -0.804 17822 3511 1 6 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.372 -0.083 17822 3512 1 6 . 1 1 24 24 LEU H H 24 8.158 8.158 7.681 0.477 17822 3513 1 6 . 1 1 25 25 GLU N N 25 119.392 119.392 117.585 1.807 17822 3514 1 6 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.193 -0.312 17822 3515 1 6 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.650 -0.067 17822 3516 1 6 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.375 -0.195 17822 3517 1 6 . 1 1 25 25 GLU H H 25 8.344 8.344 7.828 0.516 17822 3518 1 6 . 1 1 26 26 ALA N N 26 119.228 119.228 120.058 -0.830 17822 3519 1 6 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.371 -0.254 17822 3520 1 6 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.557 0.433 17822 3521 1 6 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.410 -0.457 17822 3522 1 6 . 1 1 26 26 ALA H H 26 7.154 7.154 7.486 -0.332 17822 3523 1 6 . 1 1 27 27 ALA N N 27 121.417 121.417 123.491 -2.074 17822 3524 1 6 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.421 -0.351 17822 3525 1 6 . 1 1 27 27 ALA CA C 27 52.468 52.468 52.362 0.106 17822 3526 1 6 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.896 -0.594 17822 3527 1 6 . 1 1 27 27 ALA H H 27 6.833 6.833 7.601 -0.768 17822 3528 1 6 . 1 1 28 28 ARG N N 28 123.986 123.986 124.971 -0.985 17822 3529 1 6 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.616 -0.120 17822 3530 1 6 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.063 -0.894 17822 3531 1 6 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.701 0.260 17822 3532 1 6 . 1 1 28 28 ARG H H 28 8.679 8.679 8.228 0.451 17822 3533 1 6 . 1 1 29 29 GLY N N 29 109.466 109.466 108.333 1.133 17822 3534 1 6 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.556 -0.167 17822 3535 1 6 . 1 1 29 29 GLY H H 29 8.091 8.091 8.334 -0.243 17822 3536 1 6 . 1 1 30 30 ASN N N 30 120.048 120.048 116.900 3.148 17822 3537 1 6 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.601 0.054 17822 3538 1 6 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.053 -1.424 17822 3539 1 6 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.087 -1.285 17822 3540 1 6 . 1 1 30 30 ASN H H 30 8.419 8.419 8.607 -0.188 17822 3541 1 6 . 1 1 31 31 GLY N N 31 110.450 110.450 105.664 4.786 17822 3542 1 6 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.585 -0.899 17822 3543 1 6 . 1 1 31 31 GLY H H 31 8.071 8.071 8.584 -0.513 17822 3544 1 6 . 1 1 32 32 THR N N 32 112.929 112.929 115.703 -2.774 17822 3545 1 6 . 1 1 32 32 THR HA H 32 4.993 4.993 4.724 0.269 17822 3546 1 6 . 1 1 32 32 THR CA C 32 59.598 59.598 59.342 0.256 17822 3547 1 6 . 1 1 32 32 THR H H 32 7.747 7.747 7.646 0.101 17822 3548 1 6 . 1 1 33 33 SER N N 33 115.208 115.208 115.920 -0.712 17822 3549 1 6 . 1 1 33 33 SER HA H 33 4.335 4.335 4.744 -0.409 17822 3550 1 6 . 1 1 33 33 SER CA C 33 58.067 58.067 57.118 0.949 17822 3551 1 6 . 1 1 33 33 SER CB C 33 64.572 64.572 65.217 -0.645 17822 3552 1 6 . 1 1 33 33 SER H H 33 7.701 7.701 8.187 -0.485 17822 3553 1 6 . 1 1 34 34 MET N N 34 120.869 120.869 121.013 -0.144 17822 3554 1 6 . 1 1 34 34 MET HA H 34 4.666 4.666 4.902 -0.236 17822 3555 1 6 . 1 1 34 34 MET CA C 34 54.799 54.799 53.175 1.624 17822 3556 1 6 . 1 1 34 34 MET CB C 34 34.700 34.700 33.512 1.188 17822 3557 1 6 . 1 1 34 34 MET H H 34 8.679 8.679 8.225 0.454 17822 3558 1 6 . 1 1 35 35 ILE N N 35 126.806 126.806 120.080 6.726 17822 3559 1 6 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.064 2.106 17822 3560 1 6 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.980 -0.078 17822 3561 1 6 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.219 -1.546 17822 3562 1 6 . 1 1 35 35 ILE H H 35 9.562 9.562 8.124 1.438 17822 3563 1 6 . 1 1 36 36 SER N N 36 122.217 122.217 122.827 -0.610 17822 3564 1 6 . 1 1 36 36 SER HA H 36 4.968 4.968 4.951 0.017 17822 3565 1 6 . 1 1 36 36 SER CA C 36 56.602 56.602 56.984 -0.382 17822 3566 1 6 . 1 1 36 36 SER CB C 36 64.572 64.572 64.099 0.473 17822 3567 1 6 . 1 1 36 36 SER H H 36 8.422 8.422 8.128 0.294 17822 3568 1 6 . 1 1 37 37 LEU N N 37 128.938 128.938 125.810 3.128 17822 3569 1 6 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.863 0.118 17822 3570 1 6 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.537 0.944 17822 3571 1 6 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.527 -0.151 17822 3572 1 6 . 1 1 37 37 LEU H H 37 8.916 8.916 7.534 1.382 17822 3573 1 6 . 1 1 38 38 ILE N N 38 128.296 128.296 115.672 12.624 17822 3574 1 6 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.923 0.049 17822 3575 1 6 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.677 0.168 17822 3576 1 6 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.039 -2.034 17822 3577 1 6 . 1 1 38 38 ILE H H 38 8.740 8.740 8.472 0.268 17822 3578 1 6 . 1 1 39 39 ILE N N 39 125.429 125.429 124.028 1.401 17822 3579 1 6 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.582 -0.183 17822 3580 1 6 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.620 -0.897 17822 3581 1 6 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.313 2.348 17822 3582 1 6 . 1 1 39 39 ILE H H 39 8.960 8.960 7.991 0.969 17822 3583 1 6 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.797 -0.390 17822 3584 1 6 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.492 5.690 17822 3585 1 6 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.157 0.215 17822 3586 1 6 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.380 -0.559 17822 3587 1 6 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.381 3.434 17822 3588 1 6 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.833 0.344 17822 3589 1 6 . 1 1 42 42 LYS N N 42 113.683 113.683 117.331 -3.648 17822 3590 1 6 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.431 -0.475 17822 3591 1 6 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.351 0.455 17822 3592 1 6 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.407 -2.225 17822 3593 1 6 . 1 1 42 42 LYS H H 42 8.004 8.004 8.352 -0.348 17822 3594 1 6 . 1 1 43 43 ASP N N 43 121.628 121.628 117.962 3.666 17822 3595 1 6 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.781 -0.346 17822 3596 1 6 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.342 -0.836 17822 3597 1 6 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.661 -1.446 17822 3598 1 6 . 1 1 43 43 ASP H H 43 7.290 7.290 7.500 -0.210 17822 3599 1 6 . 1 1 44 44 GLN N N 44 117.587 117.587 117.930 -0.343 17822 3600 1 6 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.620 -0.083 17822 3601 1 6 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.430 -0.491 17822 3602 1 6 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.423 0.121 17822 3603 1 6 . 1 1 44 44 GLN H H 44 9.610 9.610 8.458 1.152 17822 3604 1 6 . 1 1 45 45 ILE N N 45 126.939 126.939 121.694 5.245 17822 3605 1 6 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.714 -0.413 17822 3606 1 6 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.509 -0.225 17822 3607 1 6 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.234 -1.601 17822 3608 1 6 . 1 1 45 45 ILE H H 45 8.806 8.806 8.821 -0.015 17822 3609 1 6 . 1 1 46 46 SER N N 46 113.239 113.239 114.660 -1.421 17822 3610 1 6 . 1 1 46 46 SER HA H 46 3.931 3.931 4.285 -0.354 17822 3611 1 6 . 1 1 46 46 SER CA C 46 60.762 60.762 61.720 -0.958 17822 3612 1 6 . 1 1 46 46 SER CB C 46 61.464 61.464 62.879 -1.415 17822 3613 1 6 . 1 1 46 46 SER H H 46 8.476 8.476 8.296 0.180 17822 3614 1 6 . 1 1 47 47 ARG N N 47 124.530 124.530 122.329 2.201 17822 3615 1 6 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.021 -0.230 17822 3616 1 6 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.855 0.072 17822 3617 1 6 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.408 1.175 17822 3618 1 6 . 1 1 47 47 ARG H H 47 6.731 6.731 7.601 -0.870 17822 3619 1 6 . 1 1 48 48 VAL N N 48 121.935 121.935 118.970 2.965 17822 3620 1 6 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.678 -0.531 17822 3621 1 6 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.871 -0.663 17822 3622 1 6 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.602 -0.134 17822 3623 1 6 . 1 1 48 48 VAL H H 48 7.257 7.257 7.505 -0.248 17822 3624 1 6 . 1 1 49 49 ALA N N 49 122.345 122.345 119.845 2.500 17822 3625 1 6 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.099 -0.217 17822 3626 1 6 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.945 0.198 17822 3627 1 6 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.186 -0.536 17822 3628 1 6 . 1 1 49 49 ALA H H 49 8.864 8.864 7.669 1.195 17822 3629 1 6 . 1 1 50 50 LYS N N 50 120.376 120.376 119.737 0.639 17822 3630 1 6 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.141 -0.238 17822 3631 1 6 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.598 0.329 17822 3632 1 6 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.392 -0.806 17822 3633 1 6 . 1 1 50 50 LYS H H 50 7.380 7.380 7.847 -0.467 17822 3634 1 6 . 1 1 51 51 MET N N 51 121.641 121.641 118.146 3.495 17822 3635 1 6 . 1 1 51 51 MET HA H 51 3.935 3.935 4.158 -0.223 17822 3636 1 6 . 1 1 51 51 MET CA C 51 58.927 58.927 58.740 0.187 17822 3637 1 6 . 1 1 51 51 MET CB C 51 30.734 30.734 32.086 -1.352 17822 3638 1 6 . 1 1 51 51 MET H H 51 7.508 7.508 8.144 -0.636 17822 3639 1 6 . 1 1 52 52 LEU N N 52 120.125 120.125 119.998 0.127 17822 3640 1 6 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.264 -0.607 17822 3641 1 6 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.930 0.507 17822 3642 1 6 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.818 -0.264 17822 3643 1 6 . 1 1 52 52 LEU H H 52 8.203 8.203 7.783 0.420 17822 3644 1 6 . 1 1 53 53 ALA N N 53 123.639 123.639 122.260 1.379 17822 3645 1 6 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.851 0.094 17822 3646 1 6 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.439 -0.640 17822 3647 1 6 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.839 -0.590 17822 3648 1 6 . 1 1 53 53 ALA H H 53 7.775 7.775 7.638 0.137 17822 3649 1 6 . 1 1 54 54 ASP N N 54 123.165 123.165 118.110 5.055 17822 3650 1 6 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.412 -0.083 17822 3651 1 6 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.015 0.192 17822 3652 1 6 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.899 -1.794 17822 3653 1 6 . 1 1 54 54 ASP H H 54 8.156 8.156 7.748 0.408 17822 3654 1 6 . 1 1 55 55 GLU N N 55 122.017 122.017 119.539 2.478 17822 3655 1 6 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.025 -0.149 17822 3656 1 6 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.064 -0.481 17822 3657 1 6 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.393 -0.374 17822 3658 1 6 . 1 1 55 55 GLU H H 55 8.221 8.221 7.627 0.594 17822 3659 1 6 . 1 1 56 56 PHE N N 56 123.334 123.334 121.528 1.806 17822 3660 1 6 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.239 0.442 17822 3661 1 6 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.349 0.166 17822 3662 1 6 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.812 0.401 17822 3663 1 6 . 1 1 56 56 PHE H H 56 8.711 8.711 8.225 0.486 17822 3664 1 6 . 1 1 57 57 GLY N N 57 107.156 107.156 106.165 0.991 17822 3665 1 6 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.561 -0.078 17822 3666 1 6 . 1 1 57 57 GLY H H 57 7.985 7.985 8.101 -0.116 17822 3667 1 6 . 1 1 58 58 THR N N 58 118.940 118.940 117.383 1.557 17822 3668 1 6 . 1 1 58 58 THR HA H 58 4.062 4.062 4.200 -0.138 17822 3669 1 6 . 1 1 58 58 THR CA C 58 65.406 65.406 64.777 0.629 17822 3670 1 6 . 1 1 58 58 THR CB C 58 68.408 68.408 68.658 -0.250 17822 3671 1 6 . 1 1 58 58 THR H H 58 7.992 7.992 7.696 0.296 17822 3672 1 6 . 1 1 59 59 ALA N N 59 126.365 126.365 125.058 1.307 17822 3673 1 6 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.003 -0.075 17822 3674 1 6 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.744 -0.805 17822 3675 1 6 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.643 0.508 17822 3676 1 6 . 1 1 59 59 ALA H H 59 8.351 8.351 8.157 0.194 17822 3677 1 6 . 1 1 60 60 SER N N 60 112.435 112.435 112.594 -0.159 17822 3678 1 6 . 1 1 60 60 SER HA H 60 4.632 4.632 4.144 0.488 17822 3679 1 6 . 1 1 60 60 SER CA C 60 61.220 61.220 59.683 1.537 17822 3680 1 6 . 1 1 60 60 SER CB C 60 62.686 62.686 62.998 -0.312 17822 3681 1 6 . 1 1 60 60 SER H H 60 7.459 7.459 7.774 -0.315 17822 3682 1 6 . 1 1 61 61 ASN N N 61 116.971 116.971 118.404 -1.433 17822 3683 1 6 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.635 -0.122 17822 3684 1 6 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.729 -0.707 17822 3685 1 6 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.888 0.117 17822 3686 1 6 . 1 1 61 61 ASN H H 61 7.372 7.372 7.855 -0.483 17822 3687 1 6 . 1 1 62 62 ILE N N 62 123.980 123.980 122.443 1.537 17822 3688 1 6 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.826 -0.190 17822 3689 1 6 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.142 1.286 17822 3690 1 6 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.983 -0.554 17822 3691 1 6 . 1 1 62 62 ILE H H 62 7.461 7.461 7.372 0.089 17822 3692 1 6 . 1 1 63 63 LYS N N 63 128.982 128.982 126.200 2.782 17822 3693 1 6 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.070 -0.273 17822 3694 1 6 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.270 0.428 17822 3695 1 6 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.528 0.178 17822 3696 1 6 . 1 1 63 63 LYS H H 63 8.417 8.417 8.348 0.069 17822 3697 1 6 . 1 1 64 64 SER N N 64 114.306 114.306 118.094 -3.788 17822 3698 1 6 . 1 1 64 64 SER HA H 64 4.616 4.616 4.543 0.073 17822 3699 1 6 . 1 1 64 64 SER CA C 64 56.749 56.749 57.125 -0.376 17822 3700 1 6 . 1 1 64 64 SER CB C 64 62.962 62.962 63.230 -0.267 17822 3701 1 6 . 1 1 64 64 SER H H 64 7.599 7.599 8.067 -0.468 17822 3702 1 6 . 1 1 65 65 ARG N N 65 132.125 132.125 128.206 3.919 17822 3703 1 6 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.909 0.397 17822 3704 1 6 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.713 0.189 17822 3705 1 6 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.900 3.198 17822 3706 1 6 . 1 1 65 65 ARG H H 65 8.689 8.689 8.783 -0.094 17822 3707 1 6 . 1 1 66 66 VAL N N 66 116.947 116.947 118.461 -1.514 17822 3708 1 6 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.503 0.048 17822 3709 1 6 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.554 -1.091 17822 3710 1 6 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.384 0.202 17822 3711 1 6 . 1 1 66 66 VAL H H 66 7.946 7.946 8.195 -0.249 17822 3712 1 6 . 1 1 67 67 ASN N N 67 119.499 119.499 116.990 2.509 17822 3713 1 6 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.373 0.039 17822 3714 1 6 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.203 -0.830 17822 3715 1 6 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.153 -0.117 17822 3716 1 6 . 1 1 67 67 ASN H H 67 7.386 7.386 7.755 -0.369 17822 3717 1 6 . 1 1 68 68 ARG N N 68 122.132 122.132 121.876 0.256 17822 3718 1 6 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.937 -0.343 17822 3719 1 6 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.483 0.316 17822 3720 1 6 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.030 0.529 17822 3721 1 6 . 1 1 68 68 ARG H H 68 8.566 8.566 7.687 0.879 17822 3722 1 6 . 1 1 69 69 LEU N N 69 116.564 116.564 118.122 -1.558 17822 3723 1 6 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.207 -0.424 17822 3724 1 6 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.352 0.543 17822 3725 1 6 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.955 -0.346 17822 3726 1 6 . 1 1 69 69 LEU H H 69 8.167 8.167 8.679 -0.512 17822 3727 1 6 . 1 1 70 70 SER N N 70 116.805 116.805 113.965 2.840 17822 3728 1 6 . 1 1 70 70 SER HA H 70 4.132 4.132 4.311 -0.179 17822 3729 1 6 . 1 1 70 70 SER CA C 70 61.450 61.450 61.266 0.184 17822 3730 1 6 . 1 1 70 70 SER CB C 70 62.635 62.635 63.183 -0.548 17822 3731 1 6 . 1 1 70 70 SER H H 70 7.589 7.589 7.709 -0.120 17822 3732 1 6 . 1 1 71 71 VAL N N 71 124.991 124.991 123.470 1.521 17822 3733 1 6 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.965 -0.482 17822 3734 1 6 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.168 1.671 17822 3735 1 6 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.807 -0.158 17822 3736 1 6 . 1 1 71 71 VAL H H 71 7.934 7.934 8.246 -0.312 17822 3737 1 6 . 1 1 72 72 LEU N N 72 118.680 118.680 119.662 -0.982 17822 3738 1 6 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.102 -0.381 17822 3739 1 6 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.701 0.538 17822 3740 1 6 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.171 -0.873 17822 3741 1 6 . 1 1 72 72 LEU H H 72 8.354 8.354 8.713 -0.359 17822 3742 1 6 . 1 1 73 73 GLY N N 73 106.674 106.674 105.882 0.792 17822 3743 1 6 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.137 -0.192 17822 3744 1 6 . 1 1 73 73 GLY H H 73 8.052 8.052 7.868 0.184 17822 3745 1 6 . 1 1 74 74 ALA N N 74 127.313 127.313 124.745 2.568 17822 3746 1 6 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.183 -0.030 17822 3747 1 6 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.086 1.288 17822 3748 1 6 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.559 -0.753 17822 3749 1 6 . 1 1 74 74 ALA H H 74 7.784 7.784 7.435 0.349 17822 3750 1 6 . 1 1 75 75 ILE N N 75 119.310 119.310 119.220 0.090 17822 3751 1 6 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.676 -0.314 17822 3752 1 6 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.796 0.814 17822 3753 1 6 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.022 0.403 17822 3754 1 6 . 1 1 75 75 ILE H H 75 8.638 8.638 7.999 0.639 17822 3755 1 6 . 1 1 76 76 THR N N 76 116.205 116.205 113.572 2.633 17822 3756 1 6 . 1 1 76 76 THR HA H 76 4.227 4.227 3.937 0.290 17822 3757 1 6 . 1 1 76 76 THR CA C 76 66.782 66.782 66.435 0.347 17822 3758 1 6 . 1 1 76 76 THR CB C 76 68.478 68.478 67.851 0.627 17822 3759 1 6 . 1 1 76 76 THR H H 76 8.317 8.317 8.243 0.074 17822 3760 1 6 . 1 1 77 77 SER N N 77 118.405 118.405 118.034 0.371 17822 3761 1 6 . 1 1 77 77 SER HA H 77 4.173 4.173 4.237 -0.064 17822 3762 1 6 . 1 1 77 77 SER CA C 77 62.482 62.482 61.713 0.769 17822 3763 1 6 . 1 1 77 77 SER CB C 77 63.484 63.484 63.042 0.442 17822 3764 1 6 . 1 1 77 77 SER H H 77 7.843 7.843 7.587 0.256 17822 3765 1 6 . 1 1 78 78 VAL N N 78 124.171 124.171 121.444 2.727 17822 3766 1 6 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.705 -0.132 17822 3767 1 6 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.324 0.400 17822 3768 1 6 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.891 -0.907 17822 3769 1 6 . 1 1 78 78 VAL H H 78 8.153 8.153 7.608 0.545 17822 3770 1 6 . 1 1 79 79 GLN N N 79 120.008 120.008 118.907 1.101 17822 3771 1 6 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.860 0.069 17822 3772 1 6 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.660 -0.274 17822 3773 1 6 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.456 0.323 17822 3774 1 6 . 1 1 79 79 GLN H H 79 8.688 8.688 8.736 -0.048 17822 3775 1 6 . 1 1 80 80 GLN N N 80 116.870 116.870 116.874 -0.004 17822 3776 1 6 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.113 -0.338 17822 3777 1 6 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.542 -0.016 17822 3778 1 6 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.555 -0.578 17822 3779 1 6 . 1 1 80 80 GLN H H 80 7.850 7.850 7.731 0.119 17822 3780 1 6 . 1 1 81 81 ARG N N 81 119.074 119.074 119.194 -0.120 17822 3781 1 6 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.184 -0.192 17822 3782 1 6 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.210 -1.576 17822 3783 1 6 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.633 -2.311 17822 3784 1 6 . 1 1 81 81 ARG H H 81 7.520 7.520 7.813 -0.293 17822 3785 1 6 . 1 1 82 82 LEU N N 82 117.238 117.238 120.011 -2.773 17822 3786 1 6 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.178 -0.287 17822 3787 1 6 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.352 -0.915 17822 3788 1 6 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.174 -0.364 17822 3789 1 6 . 1 1 82 82 LEU H H 82 8.189 8.189 8.293 -0.104 17822 3790 1 6 . 1 1 83 83 LYS N N 83 114.899 114.899 118.438 -3.539 17822 3791 1 6 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.171 -0.226 17822 3792 1 6 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.886 -1.220 17822 3793 1 6 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.068 -0.081 17822 3794 1 6 . 1 1 83 83 LYS H H 83 7.064 7.064 7.650 -0.586 17822 3795 1 6 . 1 1 84 84 LEU N N 84 117.840 117.840 118.726 -0.886 17822 3796 1 6 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.097 -0.224 17822 3797 1 6 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.822 -1.507 17822 3798 1 6 . 1 1 84 84 LEU CB C 84 40.929 40.929 42.005 -1.075 17822 3799 1 6 . 1 1 84 84 LEU H H 84 7.271 7.271 8.055 -0.784 17822 3800 1 6 . 1 1 85 85 TYR N N 85 119.720 119.720 117.545 2.175 17822 3801 1 6 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.342 -0.087 17822 3802 1 6 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.597 -1.530 17822 3803 1 6 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.813 0.255 17822 3804 1 6 . 1 1 85 85 TYR H H 85 7.633 7.633 7.648 -0.015 17822 3805 1 6 . 1 1 86 86 ASN N N 86 119.638 119.638 114.503 5.135 17822 3806 1 6 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.417 0.057 17822 3807 1 6 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.647 -0.765 17822 3808 1 6 . 1 1 86 86 ASN CB C 86 38.742 38.742 37.721 1.020 17822 3809 1 6 . 1 1 86 86 ASN H H 86 8.622 8.622 8.361 0.261 17822 3810 1 6 . 1 1 87 87 LYS N N 87 116.321 116.321 118.230 -1.909 17822 3811 1 6 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.576 -0.078 17822 3812 1 6 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.716 -0.547 17822 3813 1 6 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.902 -1.229 17822 3814 1 6 . 1 1 87 87 LYS H H 87 7.631 7.631 7.747 -0.116 17822 3815 1 6 . 1 1 88 88 VAL N N 88 125.141 125.141 118.178 6.963 17822 3816 1 6 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.515 -0.893 17822 3817 1 6 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.689 3.277 17822 3818 1 6 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.645 0.643 17822 3819 1 6 . 1 1 88 88 VAL H H 88 8.357 8.357 8.428 -0.071 17822 3820 1 6 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.692 -0.439 17822 3821 1 6 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.320 2.020 17822 3822 1 6 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.989 0.565 17822 3823 1 6 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.234 0.266 17822 3824 1 6 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.129 0.850 17822 3825 1 6 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.017 0.171 17822 3826 1 6 . 1 1 91 91 ASN N N 91 112.735 112.735 116.058 -3.323 17822 3827 1 6 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.534 0.121 17822 3828 1 6 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.151 -1.276 17822 3829 1 6 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.982 -0.539 17822 3830 1 6 . 1 1 91 91 ASN H H 91 9.163 9.163 8.425 0.738 17822 3831 1 6 . 1 1 92 92 GLY N N 92 108.893 108.893 106.587 2.306 17822 3832 1 6 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.698 -1.257 17822 3833 1 6 . 1 1 92 92 GLY H H 92 7.898 7.898 7.321 0.577 17822 3834 1 6 . 1 1 93 93 LEU N N 93 117.751 117.751 125.287 -7.536 17822 3835 1 6 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.200 0.124 17822 3836 1 6 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.075 -0.308 17822 3837 1 6 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.080 5.447 17822 3838 1 6 . 1 1 93 93 LEU H H 93 8.508 8.508 7.606 0.902 17822 3839 1 6 . 1 1 94 94 VAL N N 94 126.296 126.296 129.347 -3.051 17822 3840 1 6 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.508 -0.158 17822 3841 1 6 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.992 -1.516 17822 3842 1 6 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.491 -0.323 17822 3843 1 6 . 1 1 94 94 VAL H H 94 8.168 8.168 7.863 0.305 17822 3844 1 6 . 1 1 95 95 VAL N N 95 125.531 125.531 117.941 7.590 17822 3845 1 6 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.272 -1.132 17822 3846 1 6 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.931 0.372 17822 3847 1 6 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.707 0.488 17822 3848 1 6 . 1 1 95 95 VAL H H 95 8.744 8.744 8.014 0.730 17822 3849 1 6 . 1 1 96 96 TYR N N 96 123.577 123.577 123.319 0.258 17822 3850 1 6 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.626 -0.294 17822 3851 1 6 . 1 1 96 96 TYR CA C 96 56.577 56.577 56.032 0.545 17822 3852 1 6 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.743 -1.123 17822 3853 1 6 . 1 1 96 96 TYR H H 96 8.698 8.698 9.315 -0.617 17822 3854 1 6 . 1 1 97 97 CYS N N 97 120.144 120.144 122.630 -2.486 17822 3855 1 6 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.766 -0.218 17822 3856 1 6 . 1 1 97 97 CYS CA C 97 56.577 56.577 56.972 -0.395 17822 3857 1 6 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.338 1.448 17822 3858 1 6 . 1 1 97 97 CYS H H 97 8.796 8.796 8.291 0.505 17822 3859 1 6 . 1 1 98 98 GLY N N 98 112.534 112.534 114.370 -1.836 17822 3860 1 6 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.445 0.353 17822 3861 1 6 . 1 1 98 98 GLY H H 98 8.776 8.776 8.217 0.559 17822 3862 1 6 . 1 1 99 99 THR N N 99 119.083 119.083 116.673 2.410 17822 3863 1 6 . 1 1 99 99 THR HA H 99 4.821 4.821 5.384 -0.563 17822 3864 1 6 . 1 1 99 99 THR CA C 99 62.294 62.294 62.081 0.213 17822 3865 1 6 . 1 1 99 99 THR CB C 99 69.781 69.781 70.610 -0.829 17822 3866 1 6 . 1 1 99 99 THR H H 99 8.168 8.168 8.507 -0.339 17822 3867 1 6 . 1 1 100 100 ILE N N 100 122.250 122.250 124.277 -2.027 17822 3868 1 6 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.684 -0.107 17822 3869 1 6 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.669 -0.086 17822 3870 1 6 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.278 0.231 17822 3871 1 6 . 1 1 100 100 ILE H H 100 8.838 8.838 8.368 0.470 17822 3872 1 6 . 1 1 101 101 VAL N N 101 120.622 120.622 124.531 -3.909 17822 3873 1 6 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.866 -0.216 17822 3874 1 6 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.559 1.031 17822 3875 1 6 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.881 -1.992 17822 3876 1 6 . 1 1 101 101 VAL H H 101 8.310 8.310 8.387 -0.077 17822 3877 1 6 . 1 1 102 102 THR N N 102 118.661 118.661 121.374 -2.713 17822 3878 1 6 . 1 1 102 102 THR HA H 102 4.658 4.658 4.687 -0.029 17822 3879 1 6 . 1 1 102 102 THR CA C 102 60.590 60.590 59.930 0.660 17822 3880 1 6 . 1 1 102 102 THR CB C 102 71.189 71.189 70.452 0.737 17822 3881 1 6 . 1 1 102 102 THR H H 102 8.867 8.867 8.132 0.735 17822 3882 1 6 . 1 1 103 103 GLU N N 103 121.906 121.906 121.856 0.050 17822 3883 1 6 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.047 -0.129 17822 3884 1 6 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.852 0.075 17822 3885 1 6 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.270 -0.340 17822 3886 1 6 . 1 1 103 103 GLU H H 103 9.243 9.243 8.751 0.492 17822 3887 1 6 . 1 1 104 104 GLU N N 104 116.013 116.013 118.950 -2.937 17822 3888 1 6 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.147 0.027 17822 3889 1 6 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.082 0.151 17822 3890 1 6 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.134 0.333 17822 3891 1 6 . 1 1 104 104 GLU H H 104 7.716 7.716 7.765 -0.049 17822 3892 1 6 . 1 1 105 105 GLY N N 105 109.001 109.001 107.656 1.345 17822 3893 1 6 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.313 -0.608 17822 3894 1 6 . 1 1 105 105 GLY H H 105 8.045 8.045 8.017 0.028 17822 3895 1 6 . 1 1 106 106 LYS N N 106 119.559 119.559 119.197 0.362 17822 3896 1 6 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.621 -0.290 17822 3897 1 6 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.537 -0.082 17822 3898 1 6 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.480 -0.058 17822 3899 1 6 . 1 1 106 106 LYS H H 106 6.924 6.924 7.576 -0.652 17822 3900 1 6 . 1 1 107 107 GLU N N 107 121.771 121.771 124.387 -2.616 17822 3901 1 6 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.354 0.600 17822 3902 1 6 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.382 -0.780 17822 3903 1 6 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.751 0.534 17822 3904 1 6 . 1 1 107 107 GLU H H 107 8.371 8.371 8.718 -0.347 17822 3905 1 6 . 1 1 108 108 LYS N N 108 125.216 125.216 121.649 3.567 17822 3906 1 6 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.452 -0.012 17822 3907 1 6 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.365 -0.279 17822 3908 1 6 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.832 1.083 17822 3909 1 6 . 1 1 108 108 LYS H H 108 8.946 8.946 8.226 0.720 17822 3910 1 6 . 1 1 109 109 LYS N N 109 125.136 125.136 128.898 -3.762 17822 3911 1 6 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.488 0.148 17822 3912 1 6 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.444 -0.670 17822 3913 1 6 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.683 0.117 17822 3914 1 6 . 1 1 109 109 LYS H H 109 8.548 8.548 8.613 -0.065 17822 3915 1 6 . 1 1 110 110 VAL N N 110 125.626 125.626 128.242 -2.616 17822 3916 1 6 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.109 -0.033 17822 3917 1 6 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.305 -0.741 17822 3918 1 6 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.704 1.188 17822 3919 1 6 . 1 1 110 110 VAL H H 110 8.850 8.850 9.048 -0.198 17822 3920 1 6 . 1 1 111 111 ASN N N 111 126.837 126.837 126.212 0.625 17822 3921 1 6 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.472 -0.184 17822 3922 1 6 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.128 1.181 17822 3923 1 6 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.429 0.040 17822 3924 1 6 . 1 1 111 111 ASN H H 111 8.711 8.711 8.441 0.270 17822 3925 1 6 . 1 1 112 112 ILE N N 112 125.729 125.729 124.455 1.274 17822 3926 1 6 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.378 0.006 17822 3927 1 6 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.223 -1.034 17822 3928 1 6 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.259 0.593 17822 3929 1 6 . 1 1 112 112 ILE H H 112 8.931 8.931 8.376 0.555 17822 3930 1 6 . 1 1 113 113 ASP N N 113 122.734 122.734 127.270 -4.536 17822 3931 1 6 . 1 1 113 113 ASP HA H 113 5.790 5.790 6.027 -0.237 17822 3932 1 6 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.552 -1.347 17822 3933 1 6 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.428 -0.907 17822 3934 1 6 . 1 1 113 113 ASP H H 113 8.116 8.116 8.572 -0.456 17822 3935 1 6 . 1 1 114 114 PHE N N 114 116.385 116.385 119.539 -3.154 17822 3936 1 6 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.860 -0.157 17822 3937 1 6 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.712 -0.249 17822 3938 1 6 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.504 -0.797 17822 3939 1 6 . 1 1 114 114 PHE H H 114 8.613 8.613 8.408 0.205 17822 3940 1 6 . 1 1 115 115 GLU N N 115 124.642 124.642 120.606 4.036 17822 3941 1 6 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.407 0.386 17822 3942 1 6 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.399 -1.696 17822 3943 1 6 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.560 1.565 17822 3944 1 6 . 1 1 115 115 GLU H H 115 8.591 8.591 8.367 0.224 17822 3945 1 6 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.279 0.304 17822 3946 1 6 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.469 -0.118 17822 3947 1 6 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.282 -1.320 17822 3948 1 6 . 1 1 117 117 PHE N N 117 116.676 116.676 112.541 4.135 17822 3949 1 6 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.610 -0.416 17822 3950 1 6 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.291 0.348 17822 3951 1 6 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.142 -1.390 17822 3952 1 6 . 1 1 117 117 PHE H H 117 7.842 7.842 8.172 -0.330 17822 3953 1 6 . 1 1 118 118 LYS N N 118 118.589 118.589 119.309 -0.720 17822 3954 1 6 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.282 -0.099 17822 3955 1 6 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.681 -0.346 17822 3956 1 6 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.555 1.638 17822 3957 1 6 . 1 1 118 118 LYS H H 118 6.889 6.889 7.030 -0.141 17822 3958 1 6 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.482 0.041 17822 3959 1 6 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.006 0.610 17822 3960 1 6 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.459 -0.286 17822 3961 1 6 . 1 1 120 120 ILE N N 120 121.968 121.968 121.442 0.526 17822 3962 1 6 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.203 -0.297 17822 3963 1 6 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.504 1.914 17822 3964 1 6 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.245 0.560 17822 3965 1 6 . 1 1 120 120 ILE H H 120 7.440 7.440 7.821 -0.381 17822 3966 1 6 . 1 1 121 121 ASN N N 121 120.951 120.951 127.008 -6.057 17822 3967 1 6 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.470 0.162 17822 3968 1 6 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.056 -1.174 17822 3969 1 6 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.719 0.579 17822 3970 1 6 . 1 1 121 121 ASN H H 121 8.112 8.112 8.754 -0.642 17822 3971 1 6 . 1 1 122 122 GLN N N 122 118.826 118.826 116.922 1.904 17822 3972 1 6 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.349 0.063 17822 3973 1 6 . 1 1 122 122 GLN CA C 122 54.398 54.398 55.166 -0.768 17822 3974 1 6 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.283 1.203 17822 3975 1 6 . 1 1 122 122 GLN H H 122 7.009 7.009 7.569 -0.560 17822 3976 1 6 . 1 1 123 123 PHE N N 123 122.795 122.795 118.897 3.898 17822 3977 1 6 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.427 0.287 17822 3978 1 6 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.111 -0.903 17822 3979 1 6 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.188 0.530 17822 3980 1 6 . 1 1 123 123 PHE H H 123 8.335 8.335 8.526 -0.191 17822 3981 1 6 . 1 1 124 124 MET N N 124 126.990 126.990 126.635 0.355 17822 3982 1 6 . 1 1 124 124 MET HA H 124 3.984 3.984 4.442 -0.458 17822 3983 1 6 . 1 1 124 124 MET CA C 124 54.799 54.799 54.453 0.346 17822 3984 1 6 . 1 1 124 124 MET CB C 124 37.330 37.330 36.360 0.970 17822 3985 1 6 . 1 1 124 124 MET H H 124 7.992 7.992 8.383 -0.391 17822 3986 1 6 . 1 1 125 125 TYR N N 125 122.216 122.216 125.120 -2.904 17822 3987 1 6 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.510 0.394 17822 3988 1 6 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.332 -0.583 17822 3989 1 6 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.398 0.755 17822 3990 1 6 . 1 1 125 125 TYR H H 125 7.552 7.552 8.135 -0.583 17822 3991 1 6 . 1 1 126 126 PHE N N 126 124.584 124.584 118.591 5.993 17822 3992 1 6 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.627 -0.552 17822 3993 1 6 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.874 0.530 17822 3994 1 6 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.583 3.836 17822 3995 1 6 . 1 1 126 126 PHE H H 126 8.271 8.271 6.607 1.664 17822 3996 1 6 . 1 1 127 127 CYS N N 127 124.011 124.011 120.290 3.721 17822 3997 1 6 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.577 0.219 17822 3998 1 6 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.752 0.088 17822 3999 1 6 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.677 -4.747 17822 4000 1 6 . 1 1 127 127 CYS H H 127 8.442 8.442 8.944 -0.502 17822 4001 1 6 . 1 1 128 128 ASP N N 128 127.486 127.486 121.928 5.558 17822 4002 1 6 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.594 0.412 17822 4003 1 6 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.246 -1.740 17822 4004 1 6 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.817 2.579 17822 4005 1 6 . 1 1 128 128 ASP H H 128 8.907 8.907 8.469 0.438 17822 4006 1 6 . 1 1 129 129 ASN N N 129 119.092 119.092 117.512 1.580 17822 4007 1 6 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.350 0.314 17822 4008 1 6 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.321 -1.586 17822 4009 1 6 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.733 0.169 17822 4010 1 6 . 1 1 129 129 ASN H H 129 9.136 9.136 8.338 0.798 17822 4011 1 6 . 1 1 130 130 LYS N N 130 114.367 114.367 113.465 0.902 17822 4012 1 6 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.320 -0.157 17822 4013 1 6 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.689 -1.463 17822 4014 1 6 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.800 0.292 17822 4015 1 6 . 1 1 130 130 LYS H H 130 7.115 7.115 7.107 0.008 17822 4016 1 6 . 1 1 131 131 PHE N N 131 121.117 121.117 119.931 1.186 17822 4017 1 6 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.714 -0.199 17822 4018 1 6 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.198 -1.048 17822 4019 1 6 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.478 -1.389 17822 4020 1 6 . 1 1 131 131 PHE H H 131 9.291 9.291 8.801 0.490 17822 4021 1 6 . 1 1 132 132 HIS N N 132 121.897 121.897 123.323 -1.426 17822 4022 1 6 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.853 -0.470 17822 4023 1 6 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.679 0.324 17822 4024 1 6 . 1 1 132 132 HIS CB C 132 28.343 28.343 31.248 -2.905 17822 4025 1 6 . 1 1 132 132 HIS H H 132 9.026 9.026 8.797 0.229 17822 4026 1 6 . 1 1 133 133 THR N N 133 117.915 117.915 116.899 1.016 17822 4027 1 6 . 1 1 133 133 THR HA H 133 4.612 4.612 4.772 -0.160 17822 4028 1 6 . 1 1 133 133 THR CA C 133 61.679 61.679 61.931 -0.252 17822 4029 1 6 . 1 1 133 133 THR CB C 133 73.856 73.856 70.162 3.693 17822 4030 1 6 . 1 1 133 133 THR H H 133 8.700 8.700 8.650 0.050 17822 4031 1 6 . 1 1 134 134 GLU N N 134 129.072 129.072 128.270 0.802 17822 4032 1 6 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.220 -0.241 17822 4033 1 6 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.140 1.393 17822 4034 1 6 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.957 -2.454 17822 4035 1 6 . 1 1 134 134 GLU H H 134 10.805 10.805 8.799 2.006 17822 4036 1 6 . 1 1 135 135 ALA N N 135 122.099 122.099 122.117 -0.018 17822 4037 1 6 . 1 1 135 135 ALA HA H 135 4.071 4.071 3.934 0.137 17822 4038 1 6 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.444 -0.931 17822 4039 1 6 . 1 1 135 135 ALA CB C 135 18.761 18.761 18.008 0.753 17822 4040 1 6 . 1 1 135 135 ALA H H 135 8.590 8.590 8.661 -0.071 17822 4041 1 6 . 1 1 136 136 LEU N N 136 116.720 116.720 117.943 -1.223 17822 4042 1 6 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.993 0.061 17822 4043 1 6 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.942 -1.365 17822 4044 1 6 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.548 -0.237 17822 4045 1 6 . 1 1 136 136 LEU H H 136 7.471 7.471 7.825 -0.354 17822 4046 1 6 . 1 1 137 137 THR N N 137 117.177 117.177 112.723 4.454 17822 4047 1 6 . 1 1 137 137 THR HA H 137 4.005 4.005 4.033 -0.028 17822 4048 1 6 . 1 1 137 137 THR CA C 137 66.610 66.610 65.397 1.213 17822 4049 1 6 . 1 1 137 137 THR CB C 137 67.980 67.980 68.862 -0.882 17822 4050 1 6 . 1 1 137 137 THR H H 137 8.044 8.044 7.606 0.438 17822 4051 1 6 . 1 1 138 138 ALA N N 138 124.719 124.719 124.127 0.592 17822 4052 1 6 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.192 -0.191 17822 4053 1 6 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.619 0.295 17822 4054 1 6 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.988 -1.491 17822 4055 1 6 . 1 1 138 138 ALA H H 138 7.695 7.695 8.078 -0.383 17822 4056 1 6 . 1 1 139 139 LEU N N 139 120.059 120.059 120.615 -0.556 17822 4057 1 6 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.264 -0.265 17822 4058 1 6 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.033 -0.539 17822 4059 1 6 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.996 0.816 17822 4060 1 6 . 1 1 139 139 LEU H H 139 7.345 7.345 8.291 -0.946 17822 4061 1 6 . 1 1 140 140 LEU N N 140 117.771 117.771 117.872 -0.101 17822 4062 1 6 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.934 0.023 17822 4063 1 6 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.552 -1.574 17822 4064 1 6 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.417 -0.178 17822 4065 1 6 . 1 1 140 140 LEU H H 140 7.748 7.748 7.933 -0.185 17822 4066 1 6 . 1 1 141 141 SER N N 141 114.778 114.778 112.600 2.178 17822 4067 1 6 . 1 1 141 141 SER HA H 141 4.107 4.107 4.186 -0.079 17822 4068 1 6 . 1 1 141 141 SER CA C 141 60.647 60.647 61.358 -0.711 17822 4069 1 6 . 1 1 141 141 SER CB C 141 62.650 62.650 62.660 -0.009 17822 4070 1 6 . 1 1 141 141 SER H H 141 7.807 7.807 7.961 -0.154 17822 4071 1 6 . 1 1 142 142 ASP N N 142 121.827 121.827 122.427 -0.600 17822 4072 1 6 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.458 -0.100 17822 4073 1 6 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.093 -0.032 17822 4074 1 6 . 1 1 142 142 ASP CB C 142 40.609 40.609 40.908 -0.299 17822 4075 1 6 . 1 1 142 142 ASP H H 142 7.878 7.878 7.933 -0.055 17822 4076 1 6 . 1 1 143 143 LEU N N 143 120.220 120.220 118.648 1.572 17822 4077 1 6 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.276 -0.304 17822 4078 1 6 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.816 -0.354 17822 4079 1 6 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.287 -0.073 17822 4080 1 6 . 1 1 143 143 LEU H H 143 7.846 7.846 7.827 0.019 17822 4081 1 7 . 1 1 2 2 ALA N N 2 125.964 125.964 127.378 -1.414 17822 4082 1 7 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.403 0.209 17822 4083 1 7 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.367 -0.075 17822 4084 1 7 . 1 1 2 2 ALA H H 2 8.065 8.065 8.178 -0.113 17822 4085 1 7 . 1 1 3 3 ASP N N 3 119.188 119.188 122.169 -2.981 17822 4086 1 7 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.687 -0.077 17822 4087 1 7 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.268 -0.386 17822 4088 1 7 . 1 1 3 3 ASP CB C 3 40.810 40.810 43.156 -2.346 17822 4089 1 7 . 1 1 3 3 ASP H H 3 8.203 8.203 8.676 -0.473 17822 4090 1 7 . 1 1 4 4 ASP N N 4 121.607 121.607 123.220 -1.613 17822 4091 1 7 . 1 1 4 4 ASP HA H 4 4.372 4.372 5.042 -0.670 17822 4092 1 7 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.944 -0.183 17822 4093 1 7 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.934 -1.024 17822 4094 1 7 . 1 1 4 4 ASP H H 4 7.954 7.954 8.158 -0.204 17822 4095 1 7 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.376 -0.124 17822 4096 1 7 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.581 -1.213 17822 4097 1 7 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.374 -0.515 17822 4098 1 7 . 1 1 6 6 SER N N 6 115.864 115.864 115.379 0.485 17822 4099 1 7 . 1 1 6 6 SER HA H 6 4.252 4.252 4.241 0.011 17822 4100 1 7 . 1 1 6 6 SER CA C 6 58.870 58.870 60.734 -1.864 17822 4101 1 7 . 1 1 6 6 SER CB C 6 63.368 63.368 62.726 0.642 17822 4102 1 7 . 1 1 6 6 SER H H 6 8.310 8.310 8.440 -0.130 17822 4103 1 7 . 1 1 7 7 ALA N N 7 125.955 125.955 124.045 1.910 17822 4104 1 7 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.190 -0.191 17822 4105 1 7 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.992 -0.683 17822 4106 1 7 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.988 0.562 17822 4107 1 7 . 1 1 7 7 ALA H H 7 7.854 7.854 7.973 -0.119 17822 4108 1 7 . 1 1 8 8 ALA N N 8 122.354 122.354 121.798 0.556 17822 4109 1 7 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.037 -0.240 17822 4110 1 7 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.990 -1.395 17822 4111 1 7 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.464 -0.012 17822 4112 1 7 . 1 1 8 8 ALA H H 8 7.910 7.910 8.291 -0.381 17822 4113 1 7 . 1 1 9 9 ASP N N 9 119.431 119.431 117.986 1.445 17822 4114 1 7 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.443 -0.124 17822 4115 1 7 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.689 -2.546 17822 4116 1 7 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.668 -0.045 17822 4117 1 7 . 1 1 9 9 ASP H H 9 7.970 7.970 7.935 0.035 17822 4118 1 7 . 1 1 10 10 ARG N N 10 122.263 122.263 120.689 1.574 17822 4119 1 7 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.298 -0.462 17822 4120 1 7 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.048 -1.267 17822 4121 1 7 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.581 -0.699 17822 4122 1 7 . 1 1 10 10 ARG H H 10 8.036 8.036 8.084 -0.048 17822 4123 1 7 . 1 1 11 11 ASN N N 11 118.325 118.325 117.735 0.590 17822 4124 1 7 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.450 -0.147 17822 4125 1 7 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.981 -0.838 17822 4126 1 7 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.301 -0.499 17822 4127 1 7 . 1 1 11 11 ASN H H 11 8.077 8.077 7.727 0.350 17822 4128 1 7 . 1 1 12 12 VAL N N 12 122.103 122.103 120.807 1.296 17822 4129 1 7 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.694 0.921 17822 4130 1 7 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.172 -0.551 17822 4131 1 7 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.139 0.347 17822 4132 1 7 . 1 1 12 12 VAL H H 12 7.741 7.741 7.894 -0.153 17822 4133 1 7 . 1 1 13 13 GLU N N 13 120.785 120.785 119.541 1.244 17822 4134 1 7 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.932 -0.698 17822 4135 1 7 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.285 5.776 17822 4136 1 7 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.963 0.805 17822 4137 1 7 . 1 1 13 13 GLU H H 13 7.751 7.751 7.639 0.112 17822 4138 1 7 . 1 1 14 14 ILE N N 14 120.199 120.199 120.271 -0.072 17822 4139 1 7 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.336 0.452 17822 4140 1 7 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.488 -5.306 17822 4141 1 7 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.275 -1.281 17822 4142 1 7 . 1 1 14 14 ILE H H 14 7.650 7.650 7.134 0.516 17822 4143 1 7 . 1 1 15 15 TRP N N 15 120.828 120.828 117.571 3.257 17822 4144 1 7 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.585 -0.532 17822 4145 1 7 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.599 2.990 17822 4146 1 7 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.677 -0.233 17822 4147 1 7 . 1 1 15 15 TRP H H 15 7.759 7.759 7.097 0.662 17822 4148 1 7 . 1 1 16 16 LYS N N 16 119.063 119.063 122.232 -3.169 17822 4149 1 7 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.158 -0.668 17822 4150 1 7 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.209 1.760 17822 4151 1 7 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.038 0.140 17822 4152 1 7 . 1 1 16 16 LYS H H 16 7.963 7.963 7.700 0.263 17822 4153 1 7 . 1 1 17 17 ILE N N 17 120.609 120.609 119.442 1.167 17822 4154 1 7 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.829 -0.218 17822 4155 1 7 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.532 -1.076 17822 4156 1 7 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.478 -1.180 17822 4157 1 7 . 1 1 17 17 ILE H H 17 7.630 7.630 8.451 -0.821 17822 4158 1 7 . 1 1 18 18 LYS N N 18 121.687 121.687 118.946 2.741 17822 4159 1 7 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.011 -0.428 17822 4160 1 7 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.507 1.423 17822 4161 1 7 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.524 0.558 17822 4162 1 7 . 1 1 18 18 LYS H H 18 8.297 8.297 7.783 0.514 17822 4163 1 7 . 1 1 19 19 LYS N N 19 119.253 119.253 118.533 0.720 17822 4164 1 7 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.130 -0.513 17822 4165 1 7 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.579 0.406 17822 4166 1 7 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.361 -0.502 17822 4167 1 7 . 1 1 19 19 LYS H H 19 7.685 7.685 7.700 -0.015 17822 4168 1 7 . 1 1 20 20 LEU N N 20 123.001 123.001 121.468 1.533 17822 4169 1 7 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.075 -0.250 17822 4170 1 7 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.745 0.036 17822 4171 1 7 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.754 -0.343 17822 4172 1 7 . 1 1 20 20 LEU H H 20 7.509 7.509 7.290 0.219 17822 4173 1 7 . 1 1 21 21 ILE N N 21 119.392 119.392 119.528 -0.136 17822 4174 1 7 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.731 -0.661 17822 4175 1 7 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.370 3.125 17822 4176 1 7 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.040 1.163 17822 4177 1 7 . 1 1 21 21 ILE H H 21 8.474 8.474 8.378 0.096 17822 4178 1 7 . 1 1 22 22 LYS N N 22 117.524 117.524 119.237 -1.713 17822 4179 1 7 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.055 -0.249 17822 4180 1 7 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.260 -0.447 17822 4181 1 7 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.269 -0.382 17822 4182 1 7 . 1 1 22 22 LYS H H 22 7.300 7.300 7.587 -0.287 17822 4183 1 7 . 1 1 23 23 SER N N 23 114.880 114.880 114.766 0.114 17822 4184 1 7 . 1 1 23 23 SER HA H 23 4.008 4.008 4.270 -0.262 17822 4185 1 7 . 1 1 23 23 SER CA C 23 61.106 61.106 61.235 -0.129 17822 4186 1 7 . 1 1 23 23 SER CB C 23 62.587 62.587 63.609 -1.022 17822 4187 1 7 . 1 1 23 23 SER H H 23 7.653 7.653 7.462 0.191 17822 4188 1 7 . 1 1 24 24 LEU N N 24 121.607 121.607 121.980 -0.373 17822 4189 1 7 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.444 0.428 17822 4190 1 7 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.848 -0.985 17822 4191 1 7 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.236 0.054 17822 4192 1 7 . 1 1 24 24 LEU H H 24 8.158 8.158 7.889 0.269 17822 4193 1 7 . 1 1 25 25 GLU N N 25 119.392 119.392 117.657 1.735 17822 4194 1 7 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.153 -0.272 17822 4195 1 7 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.677 -0.094 17822 4196 1 7 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.363 -0.183 17822 4197 1 7 . 1 1 25 25 GLU H H 25 8.344 8.344 7.780 0.564 17822 4198 1 7 . 1 1 26 26 ALA N N 26 119.228 119.228 119.531 -0.303 17822 4199 1 7 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.373 -0.256 17822 4200 1 7 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.697 0.293 17822 4201 1 7 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.436 -0.483 17822 4202 1 7 . 1 1 26 26 ALA H H 26 7.154 7.154 7.521 -0.367 17822 4203 1 7 . 1 1 27 27 ALA N N 27 121.417 121.417 123.288 -1.871 17822 4204 1 7 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.241 -0.171 17822 4205 1 7 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.232 -0.764 17822 4206 1 7 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.201 0.102 17822 4207 1 7 . 1 1 27 27 ALA H H 27 6.833 6.833 7.501 -0.668 17822 4208 1 7 . 1 1 28 28 ARG N N 28 123.986 123.986 121.662 2.324 17822 4209 1 7 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.485 0.011 17822 4210 1 7 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.142 -0.973 17822 4211 1 7 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.717 0.244 17822 4212 1 7 . 1 1 28 28 ARG H H 28 8.679 8.679 8.091 0.588 17822 4213 1 7 . 1 1 29 29 GLY N N 29 109.466 109.466 107.981 1.485 17822 4214 1 7 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.949 -0.560 17822 4215 1 7 . 1 1 29 29 GLY H H 29 8.091 8.091 8.229 -0.138 17822 4216 1 7 . 1 1 30 30 ASN N N 30 120.048 120.048 117.215 2.833 17822 4217 1 7 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.591 0.064 17822 4218 1 7 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.104 -1.475 17822 4219 1 7 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.102 -1.300 17822 4220 1 7 . 1 1 30 30 ASN H H 30 8.419 8.419 8.575 -0.156 17822 4221 1 7 . 1 1 31 31 GLY N N 31 110.450 110.450 105.895 4.555 17822 4222 1 7 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.427 -0.741 17822 4223 1 7 . 1 1 31 31 GLY H H 31 8.071 8.071 8.588 -0.517 17822 4224 1 7 . 1 1 32 32 THR N N 32 112.929 112.929 116.735 -3.806 17822 4225 1 7 . 1 1 32 32 THR HA H 32 4.993 4.993 4.559 0.434 17822 4226 1 7 . 1 1 32 32 THR CA C 32 59.598 59.598 60.545 -0.948 17822 4227 1 7 . 1 1 32 32 THR H H 32 7.747 7.747 7.751 -0.004 17822 4228 1 7 . 1 1 33 33 SER N N 33 115.208 115.208 115.870 -0.662 17822 4229 1 7 . 1 1 33 33 SER HA H 33 4.335 4.335 4.685 -0.350 17822 4230 1 7 . 1 1 33 33 SER CA C 33 58.067 58.067 57.180 0.887 17822 4231 1 7 . 1 1 33 33 SER CB C 33 64.572 64.572 64.296 0.276 17822 4232 1 7 . 1 1 33 33 SER H H 33 7.701 7.701 8.656 -0.955 17822 4233 1 7 . 1 1 34 34 MET N N 34 120.869 120.869 122.266 -1.397 17822 4234 1 7 . 1 1 34 34 MET HA H 34 4.666 4.666 4.846 -0.180 17822 4235 1 7 . 1 1 34 34 MET CA C 34 54.799 54.799 53.409 1.390 17822 4236 1 7 . 1 1 34 34 MET CB C 34 34.700 34.700 33.981 0.719 17822 4237 1 7 . 1 1 34 34 MET H H 34 8.679 8.679 8.366 0.313 17822 4238 1 7 . 1 1 35 35 ILE N N 35 126.806 126.806 119.295 7.511 17822 4239 1 7 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.306 1.864 17822 4240 1 7 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.309 -0.406 17822 4241 1 7 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.775 -2.102 17822 4242 1 7 . 1 1 35 35 ILE H H 35 9.562 9.562 7.960 1.602 17822 4243 1 7 . 1 1 36 36 SER N N 36 122.217 122.217 121.445 0.772 17822 4244 1 7 . 1 1 36 36 SER HA H 36 4.968 4.968 5.210 -0.242 17822 4245 1 7 . 1 1 36 36 SER CA C 36 56.602 56.602 57.323 -0.721 17822 4246 1 7 . 1 1 36 36 SER CB C 36 64.572 64.572 64.064 0.508 17822 4247 1 7 . 1 1 36 36 SER H H 36 8.422 8.422 8.192 0.230 17822 4248 1 7 . 1 1 37 37 LEU N N 37 128.938 128.938 124.098 4.840 17822 4249 1 7 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.865 0.116 17822 4250 1 7 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.552 -0.071 17822 4251 1 7 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.397 -0.021 17822 4252 1 7 . 1 1 37 37 LEU H H 37 8.916 8.916 7.768 1.148 17822 4253 1 7 . 1 1 38 38 ILE N N 38 128.296 128.296 115.121 13.175 17822 4254 1 7 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.958 0.014 17822 4255 1 7 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.609 0.236 17822 4256 1 7 . 1 1 38 38 ILE CB C 38 39.005 39.005 40.953 -1.948 17822 4257 1 7 . 1 1 38 38 ILE H H 38 8.740 8.740 8.431 0.309 17822 4258 1 7 . 1 1 39 39 ILE N N 39 125.429 125.429 123.525 1.904 17822 4259 1 7 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.624 -0.225 17822 4260 1 7 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.503 -0.780 17822 4261 1 7 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.252 2.409 17822 4262 1 7 . 1 1 39 39 ILE H H 39 8.960 8.960 8.312 0.648 17822 4263 1 7 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.780 -0.373 17822 4264 1 7 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.604 5.578 17822 4265 1 7 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.064 0.308 17822 4266 1 7 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.339 -0.518 17822 4267 1 7 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.237 3.578 17822 4268 1 7 . 1 1 41 41 PRO CB C 41 32.177 32.177 32.038 0.139 17822 4269 1 7 . 1 1 42 42 LYS N N 42 113.683 113.683 118.413 -4.730 17822 4270 1 7 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.452 -0.496 17822 4271 1 7 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.022 0.784 17822 4272 1 7 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.318 -2.136 17822 4273 1 7 . 1 1 42 42 LYS H H 42 8.004 8.004 8.378 -0.374 17822 4274 1 7 . 1 1 43 43 ASP N N 43 121.628 121.628 118.399 3.229 17822 4275 1 7 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.837 -0.402 17822 4276 1 7 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.906 -0.400 17822 4277 1 7 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.595 -1.380 17822 4278 1 7 . 1 1 43 43 ASP H H 43 7.290 7.290 7.497 -0.207 17822 4279 1 7 . 1 1 44 44 GLN N N 44 117.587 117.587 118.328 -0.741 17822 4280 1 7 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.565 -0.028 17822 4281 1 7 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.598 -0.659 17822 4282 1 7 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.604 -0.060 17822 4283 1 7 . 1 1 44 44 GLN H H 44 9.610 9.610 8.362 1.248 17822 4284 1 7 . 1 1 45 45 ILE N N 45 126.939 126.939 124.747 2.192 17822 4285 1 7 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.690 -0.389 17822 4286 1 7 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.356 -1.072 17822 4287 1 7 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.388 -1.755 17822 4288 1 7 . 1 1 45 45 ILE H H 45 8.806 8.806 9.150 -0.344 17822 4289 1 7 . 1 1 46 46 SER N N 46 113.239 113.239 115.500 -2.261 17822 4290 1 7 . 1 1 46 46 SER HA H 46 3.931 3.931 4.123 -0.192 17822 4291 1 7 . 1 1 46 46 SER CA C 46 60.762 60.762 61.278 -0.516 17822 4292 1 7 . 1 1 46 46 SER CB C 46 61.464 61.464 63.139 -1.675 17822 4293 1 7 . 1 1 46 46 SER H H 46 8.476 8.476 8.406 0.070 17822 4294 1 7 . 1 1 47 47 ARG N N 47 124.530 124.530 122.164 2.366 17822 4295 1 7 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.049 -0.258 17822 4296 1 7 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.830 0.097 17822 4297 1 7 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.572 1.012 17822 4298 1 7 . 1 1 47 47 ARG H H 47 6.731 6.731 7.309 -0.578 17822 4299 1 7 . 1 1 48 48 VAL N N 48 121.935 121.935 118.957 2.978 17822 4300 1 7 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.712 -0.565 17822 4301 1 7 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.397 -0.189 17822 4302 1 7 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.326 0.142 17822 4303 1 7 . 1 1 48 48 VAL H H 48 7.257 7.257 7.656 -0.399 17822 4304 1 7 . 1 1 49 49 ALA N N 49 122.345 122.345 120.324 2.021 17822 4305 1 7 . 1 1 49 49 ALA HA H 49 3.882 3.882 3.987 -0.105 17822 4306 1 7 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.977 0.167 17822 4307 1 7 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.186 -0.536 17822 4308 1 7 . 1 1 49 49 ALA H H 49 8.864 8.864 7.790 1.074 17822 4309 1 7 . 1 1 50 50 LYS N N 50 120.376 120.376 119.547 0.829 17822 4310 1 7 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.138 -0.235 17822 4311 1 7 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.782 0.145 17822 4312 1 7 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.424 -0.838 17822 4313 1 7 . 1 1 50 50 LYS H H 50 7.380 7.380 7.846 -0.466 17822 4314 1 7 . 1 1 51 51 MET N N 51 121.641 121.641 118.090 3.551 17822 4315 1 7 . 1 1 51 51 MET HA H 51 3.935 3.935 4.101 -0.166 17822 4316 1 7 . 1 1 51 51 MET CA C 51 58.927 58.927 58.591 0.336 17822 4317 1 7 . 1 1 51 51 MET CB C 51 30.734 30.734 31.908 -1.174 17822 4318 1 7 . 1 1 51 51 MET H H 51 7.508 7.508 7.735 -0.227 17822 4319 1 7 . 1 1 52 52 LEU N N 52 120.125 120.125 120.056 0.069 17822 4320 1 7 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.210 -0.553 17822 4321 1 7 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.135 0.302 17822 4322 1 7 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.697 -0.143 17822 4323 1 7 . 1 1 52 52 LEU H H 52 8.203 8.203 7.847 0.356 17822 4324 1 7 . 1 1 53 53 ALA N N 53 123.639 123.639 122.251 1.388 17822 4325 1 7 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.857 0.088 17822 4326 1 7 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.409 -0.610 17822 4327 1 7 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.673 -0.424 17822 4328 1 7 . 1 1 53 53 ALA H H 53 7.775 7.775 7.576 0.199 17822 4329 1 7 . 1 1 54 54 ASP N N 54 123.165 123.165 118.240 4.925 17822 4330 1 7 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.429 -0.100 17822 4331 1 7 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.921 0.286 17822 4332 1 7 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.722 -1.617 17822 4333 1 7 . 1 1 54 54 ASP H H 54 8.156 8.156 7.674 0.482 17822 4334 1 7 . 1 1 55 55 GLU N N 55 122.017 122.017 119.360 2.657 17822 4335 1 7 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.027 -0.151 17822 4336 1 7 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.932 -0.349 17822 4337 1 7 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.390 -0.371 17822 4338 1 7 . 1 1 55 55 GLU H H 55 8.221 8.221 7.601 0.620 17822 4339 1 7 . 1 1 56 56 PHE N N 56 123.334 123.334 121.154 2.180 17822 4340 1 7 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.283 0.398 17822 4341 1 7 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.272 0.243 17822 4342 1 7 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.927 0.285 17822 4343 1 7 . 1 1 56 56 PHE H H 56 8.711 8.711 8.302 0.409 17822 4344 1 7 . 1 1 57 57 GLY N N 57 107.156 107.156 105.502 1.654 17822 4345 1 7 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.482 0.001 17822 4346 1 7 . 1 1 57 57 GLY H H 57 7.985 7.985 8.012 -0.027 17822 4347 1 7 . 1 1 58 58 THR N N 58 118.940 118.940 117.390 1.550 17822 4348 1 7 . 1 1 58 58 THR HA H 58 4.062 4.062 4.170 -0.108 17822 4349 1 7 . 1 1 58 58 THR CA C 58 65.406 65.406 65.963 -0.557 17822 4350 1 7 . 1 1 58 58 THR CB C 58 68.408 68.408 68.837 -0.429 17822 4351 1 7 . 1 1 58 58 THR H H 58 7.992 7.992 7.750 0.242 17822 4352 1 7 . 1 1 59 59 ALA N N 59 126.365 126.365 124.697 1.668 17822 4353 1 7 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.106 -0.178 17822 4354 1 7 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.416 -0.477 17822 4355 1 7 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.713 0.438 17822 4356 1 7 . 1 1 59 59 ALA H H 59 8.351 8.351 7.444 0.907 17822 4357 1 7 . 1 1 60 60 SER N N 60 112.435 112.435 111.889 0.546 17822 4358 1 7 . 1 1 60 60 SER HA H 60 4.632 4.632 4.133 0.499 17822 4359 1 7 . 1 1 60 60 SER CA C 60 61.220 61.220 59.260 1.960 17822 4360 1 7 . 1 1 60 60 SER CB C 60 62.686 62.686 62.859 -0.173 17822 4361 1 7 . 1 1 60 60 SER H H 60 7.459 7.459 7.637 -0.178 17822 4362 1 7 . 1 1 61 61 ASN N N 61 116.971 116.971 118.649 -1.678 17822 4363 1 7 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.636 -0.123 17822 4364 1 7 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.605 -0.583 17822 4365 1 7 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.813 0.192 17822 4366 1 7 . 1 1 61 61 ASN H H 61 7.372 7.372 7.521 -0.149 17822 4367 1 7 . 1 1 62 62 ILE N N 62 123.980 123.980 121.746 2.234 17822 4368 1 7 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.858 -0.222 17822 4369 1 7 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.505 0.923 17822 4370 1 7 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.012 -0.582 17822 4371 1 7 . 1 1 62 62 ILE H H 62 7.461 7.461 7.328 0.133 17822 4372 1 7 . 1 1 63 63 LYS N N 63 128.982 128.982 125.014 3.968 17822 4373 1 7 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.149 -0.352 17822 4374 1 7 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.807 0.891 17822 4375 1 7 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.556 0.150 17822 4376 1 7 . 1 1 63 63 LYS H H 63 8.417 8.417 8.338 0.079 17822 4377 1 7 . 1 1 64 64 SER N N 64 114.306 114.306 118.228 -3.922 17822 4378 1 7 . 1 1 64 64 SER HA H 64 4.616 4.616 4.553 0.063 17822 4379 1 7 . 1 1 64 64 SER CA C 64 56.749 56.749 57.374 -0.625 17822 4380 1 7 . 1 1 64 64 SER CB C 64 62.962 62.962 62.724 0.239 17822 4381 1 7 . 1 1 64 64 SER H H 64 7.599 7.599 7.981 -0.382 17822 4382 1 7 . 1 1 65 65 ARG N N 65 132.125 132.125 128.251 3.874 17822 4383 1 7 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.879 0.427 17822 4384 1 7 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.997 -0.095 17822 4385 1 7 . 1 1 65 65 ARG CB C 65 33.098 33.098 30.025 3.073 17822 4386 1 7 . 1 1 65 65 ARG H H 65 8.689 8.689 8.695 -0.006 17822 4387 1 7 . 1 1 66 66 VAL N N 66 116.947 116.947 118.966 -2.019 17822 4388 1 7 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.563 -0.012 17822 4389 1 7 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.843 -1.380 17822 4390 1 7 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.277 0.309 17822 4391 1 7 . 1 1 66 66 VAL H H 66 7.946 7.946 8.222 -0.276 17822 4392 1 7 . 1 1 67 67 ASN N N 67 119.499 119.499 117.177 2.322 17822 4393 1 7 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.328 0.084 17822 4394 1 7 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.178 -0.805 17822 4395 1 7 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.271 -0.235 17822 4396 1 7 . 1 1 67 67 ASN H H 67 7.386 7.386 7.735 -0.349 17822 4397 1 7 . 1 1 68 68 ARG N N 68 122.132 122.132 121.629 0.503 17822 4398 1 7 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.923 -0.329 17822 4399 1 7 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.380 0.418 17822 4400 1 7 . 1 1 68 68 ARG CB C 68 30.559 30.559 29.940 0.619 17822 4401 1 7 . 1 1 68 68 ARG H H 68 8.566 8.566 7.758 0.808 17822 4402 1 7 . 1 1 69 69 LEU N N 69 116.564 116.564 118.097 -1.533 17822 4403 1 7 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.184 -0.401 17822 4404 1 7 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.359 0.536 17822 4405 1 7 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.546 0.063 17822 4406 1 7 . 1 1 69 69 LEU H H 69 8.167 8.167 8.646 -0.479 17822 4407 1 7 . 1 1 70 70 SER N N 70 116.805 116.805 114.654 2.151 17822 4408 1 7 . 1 1 70 70 SER HA H 70 4.132 4.132 4.310 -0.178 17822 4409 1 7 . 1 1 70 70 SER CA C 70 61.450 61.450 61.173 0.277 17822 4410 1 7 . 1 1 70 70 SER CB C 70 62.635 62.635 63.092 -0.457 17822 4411 1 7 . 1 1 70 70 SER H H 70 7.589 7.589 7.864 -0.275 17822 4412 1 7 . 1 1 71 71 VAL N N 71 124.991 124.991 121.408 3.583 17822 4413 1 7 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.971 -0.488 17822 4414 1 7 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.445 2.394 17822 4415 1 7 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.872 -0.223 17822 4416 1 7 . 1 1 71 71 VAL H H 71 7.934 7.934 7.821 0.113 17822 4417 1 7 . 1 1 72 72 LEU N N 72 118.680 118.680 121.203 -2.523 17822 4418 1 7 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.270 -0.549 17822 4419 1 7 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.761 0.478 17822 4420 1 7 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.272 -0.974 17822 4421 1 7 . 1 1 72 72 LEU H H 72 8.354 8.354 8.773 -0.419 17822 4422 1 7 . 1 1 73 73 GLY N N 73 106.674 106.674 106.096 0.578 17822 4423 1 7 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.793 0.152 17822 4424 1 7 . 1 1 73 73 GLY H H 73 8.052 8.052 8.015 0.037 17822 4425 1 7 . 1 1 74 74 ALA N N 74 127.313 127.313 124.747 2.566 17822 4426 1 7 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.216 -0.063 17822 4427 1 7 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.102 1.271 17822 4428 1 7 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.546 -0.740 17822 4429 1 7 . 1 1 74 74 ALA H H 74 7.784 7.784 7.506 0.278 17822 4430 1 7 . 1 1 75 75 ILE N N 75 119.310 119.310 118.721 0.589 17822 4431 1 7 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.737 -0.375 17822 4432 1 7 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.520 1.090 17822 4433 1 7 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.345 0.079 17822 4434 1 7 . 1 1 75 75 ILE H H 75 8.638 8.638 7.804 0.834 17822 4435 1 7 . 1 1 76 76 THR N N 76 116.205 116.205 112.669 3.536 17822 4436 1 7 . 1 1 76 76 THR HA H 76 4.227 4.227 3.868 0.359 17822 4437 1 7 . 1 1 76 76 THR CA C 76 66.782 66.782 66.820 -0.038 17822 4438 1 7 . 1 1 76 76 THR CB C 76 68.478 68.478 68.487 -0.009 17822 4439 1 7 . 1 1 76 76 THR H H 76 8.317 8.317 7.929 0.388 17822 4440 1 7 . 1 1 77 77 SER N N 77 118.405 118.405 117.543 0.862 17822 4441 1 7 . 1 1 77 77 SER HA H 77 4.173 4.173 4.258 -0.085 17822 4442 1 7 . 1 1 77 77 SER CA C 77 62.482 62.482 61.610 0.872 17822 4443 1 7 . 1 1 77 77 SER CB C 77 63.484 63.484 62.950 0.534 17822 4444 1 7 . 1 1 77 77 SER H H 77 7.843 7.843 7.756 0.087 17822 4445 1 7 . 1 1 78 78 VAL N N 78 124.171 124.171 122.658 1.513 17822 4446 1 7 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.671 -0.098 17822 4447 1 7 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.180 0.545 17822 4448 1 7 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.724 -0.740 17822 4449 1 7 . 1 1 78 78 VAL H H 78 8.153 8.153 7.699 0.454 17822 4450 1 7 . 1 1 79 79 GLN N N 79 120.008 120.008 118.778 1.230 17822 4451 1 7 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.864 0.065 17822 4452 1 7 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.728 -0.342 17822 4453 1 7 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.428 0.350 17822 4454 1 7 . 1 1 79 79 GLN H H 79 8.688 8.688 8.579 0.109 17822 4455 1 7 . 1 1 80 80 GLN N N 80 116.870 116.870 116.682 0.188 17822 4456 1 7 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.086 -0.311 17822 4457 1 7 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.563 -0.037 17822 4458 1 7 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.555 -0.578 17822 4459 1 7 . 1 1 80 80 GLN H H 80 7.850 7.850 7.752 0.098 17822 4460 1 7 . 1 1 81 81 ARG N N 81 119.074 119.074 118.879 0.195 17822 4461 1 7 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.180 -0.188 17822 4462 1 7 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.096 -1.462 17822 4463 1 7 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.731 -2.409 17822 4464 1 7 . 1 1 81 81 ARG H H 81 7.520 7.520 7.711 -0.191 17822 4465 1 7 . 1 1 82 82 LEU N N 82 117.238 117.238 119.801 -2.563 17822 4466 1 7 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.242 -0.351 17822 4467 1 7 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.175 -0.738 17822 4468 1 7 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.147 -0.337 17822 4469 1 7 . 1 1 82 82 LEU H H 82 8.189 8.189 8.594 -0.405 17822 4470 1 7 . 1 1 83 83 LYS N N 83 114.899 114.899 118.850 -3.951 17822 4471 1 7 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.053 -0.108 17822 4472 1 7 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.906 -1.240 17822 4473 1 7 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.994 -0.007 17822 4474 1 7 . 1 1 83 83 LYS H H 83 7.064 7.064 7.764 -0.700 17822 4475 1 7 . 1 1 84 84 LEU N N 84 117.840 117.840 117.957 -0.117 17822 4476 1 7 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.005 -0.132 17822 4477 1 7 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.351 -1.036 17822 4478 1 7 . 1 1 84 84 LEU CB C 84 40.929 40.929 42.083 -1.154 17822 4479 1 7 . 1 1 84 84 LEU H H 84 7.271 7.271 7.692 -0.421 17822 4480 1 7 . 1 1 85 85 TYR N N 85 119.720 119.720 116.254 3.466 17822 4481 1 7 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.565 -0.310 17822 4482 1 7 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.120 1.947 17822 4483 1 7 . 1 1 85 85 TYR CB C 85 39.068 39.068 35.844 3.224 17822 4484 1 7 . 1 1 85 85 TYR H H 85 7.633 7.633 7.306 0.327 17822 4485 1 7 . 1 1 86 86 ASN N N 86 119.638 119.638 119.158 0.480 17822 4486 1 7 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.397 0.077 17822 4487 1 7 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.261 -1.379 17822 4488 1 7 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.946 -0.204 17822 4489 1 7 . 1 1 86 86 ASN H H 86 8.622 8.622 7.899 0.723 17822 4490 1 7 . 1 1 87 87 LYS N N 87 116.321 116.321 119.146 -2.825 17822 4491 1 7 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.327 0.171 17822 4492 1 7 . 1 1 87 87 LYS CA C 87 54.169 54.169 55.653 -1.484 17822 4493 1 7 . 1 1 87 87 LYS CB C 87 34.673 34.673 34.044 0.629 17822 4494 1 7 . 1 1 87 87 LYS H H 87 7.631 7.631 7.743 -0.112 17822 4495 1 7 . 1 1 88 88 VAL N N 88 125.141 125.141 118.588 6.553 17822 4496 1 7 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.515 -0.893 17822 4497 1 7 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.517 3.449 17822 4498 1 7 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.825 0.463 17822 4499 1 7 . 1 1 88 88 VAL H H 88 8.357 8.357 8.197 0.160 17822 4500 1 7 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.684 -0.431 17822 4501 1 7 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.341 1.999 17822 4502 1 7 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.815 0.739 17822 4503 1 7 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.228 0.272 17822 4504 1 7 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.096 0.883 17822 4505 1 7 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.035 0.153 17822 4506 1 7 . 1 1 91 91 ASN N N 91 112.735 112.735 115.716 -2.981 17822 4507 1 7 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.551 0.104 17822 4508 1 7 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.346 -1.471 17822 4509 1 7 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.865 -0.422 17822 4510 1 7 . 1 1 91 91 ASN H H 91 9.163 9.163 8.395 0.768 17822 4511 1 7 . 1 1 92 92 GLY N N 92 108.893 108.893 106.361 2.532 17822 4512 1 7 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.755 -1.314 17822 4513 1 7 . 1 1 92 92 GLY H H 92 7.898 7.898 7.142 0.756 17822 4514 1 7 . 1 1 93 93 LEU N N 93 117.751 117.751 126.112 -8.361 17822 4515 1 7 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.248 0.076 17822 4516 1 7 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.447 -0.680 17822 4517 1 7 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.590 4.937 17822 4518 1 7 . 1 1 93 93 LEU H H 93 8.508 8.508 7.649 0.859 17822 4519 1 7 . 1 1 94 94 VAL N N 94 126.296 126.296 127.860 -1.564 17822 4520 1 7 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.707 -0.357 17822 4521 1 7 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.360 -0.885 17822 4522 1 7 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.715 -0.547 17822 4523 1 7 . 1 1 94 94 VAL H H 94 8.168 8.168 7.750 0.418 17822 4524 1 7 . 1 1 95 95 VAL N N 95 125.531 125.531 118.250 7.281 17822 4525 1 7 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.966 -0.826 17822 4526 1 7 . 1 1 95 95 VAL CA C 95 60.303 60.303 60.190 0.113 17822 4527 1 7 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.554 0.641 17822 4528 1 7 . 1 1 95 95 VAL H H 95 8.744 8.744 8.330 0.414 17822 4529 1 7 . 1 1 96 96 TYR N N 96 123.577 123.577 124.175 -0.598 17822 4530 1 7 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.651 -0.319 17822 4531 1 7 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.878 0.699 17822 4532 1 7 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.779 -0.160 17822 4533 1 7 . 1 1 96 96 TYR H H 96 8.698 8.698 9.295 -0.597 17822 4534 1 7 . 1 1 97 97 CYS N N 97 120.144 120.144 123.314 -3.170 17822 4535 1 7 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.767 -0.219 17822 4536 1 7 . 1 1 97 97 CYS CA C 97 56.577 56.577 56.842 -0.265 17822 4537 1 7 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.087 1.699 17822 4538 1 7 . 1 1 97 97 CYS H H 97 8.796 8.796 8.213 0.583 17822 4539 1 7 . 1 1 98 98 GLY N N 98 112.534 112.534 114.829 -2.295 17822 4540 1 7 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.377 0.421 17822 4541 1 7 . 1 1 98 98 GLY H H 98 8.776 8.776 8.312 0.464 17822 4542 1 7 . 1 1 99 99 THR N N 99 119.083 119.083 116.071 3.012 17822 4543 1 7 . 1 1 99 99 THR HA H 99 4.821 4.821 5.550 -0.729 17822 4544 1 7 . 1 1 99 99 THR CA C 99 62.294 62.294 61.703 0.591 17822 4545 1 7 . 1 1 99 99 THR CB C 99 69.781 69.781 71.948 -2.167 17822 4546 1 7 . 1 1 99 99 THR H H 99 8.168 8.168 8.338 -0.170 17822 4547 1 7 . 1 1 100 100 ILE N N 100 122.250 122.250 121.459 0.791 17822 4548 1 7 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.662 -0.085 17822 4549 1 7 . 1 1 100 100 ILE CA C 100 58.583 58.583 59.147 -0.564 17822 4550 1 7 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.910 -0.401 17822 4551 1 7 . 1 1 100 100 ILE H H 100 8.838 8.838 8.613 0.225 17822 4552 1 7 . 1 1 101 101 VAL N N 101 120.622 120.622 123.917 -3.295 17822 4553 1 7 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.831 -0.181 17822 4554 1 7 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.371 1.218 17822 4555 1 7 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.502 -1.613 17822 4556 1 7 . 1 1 101 101 VAL H H 101 8.310 8.310 8.257 0.053 17822 4557 1 7 . 1 1 102 102 THR N N 102 118.661 118.661 121.674 -3.013 17822 4558 1 7 . 1 1 102 102 THR HA H 102 4.658 4.658 4.555 0.103 17822 4559 1 7 . 1 1 102 102 THR CA C 102 60.590 60.590 60.494 0.096 17822 4560 1 7 . 1 1 102 102 THR CB C 102 71.189 71.189 70.522 0.667 17822 4561 1 7 . 1 1 102 102 THR H H 102 8.867 8.867 8.165 0.702 17822 4562 1 7 . 1 1 103 103 GLU N N 103 121.906 121.906 122.253 -0.347 17822 4563 1 7 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.128 -0.210 17822 4564 1 7 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.981 -0.054 17822 4565 1 7 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.471 -0.541 17822 4566 1 7 . 1 1 103 103 GLU H H 103 9.243 9.243 8.798 0.445 17822 4567 1 7 . 1 1 104 104 GLU N N 104 116.013 116.013 117.708 -1.695 17822 4568 1 7 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.153 0.021 17822 4569 1 7 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.137 0.096 17822 4570 1 7 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.209 0.258 17822 4571 1 7 . 1 1 104 104 GLU H H 104 7.716 7.716 7.779 -0.063 17822 4572 1 7 . 1 1 105 105 GLY N N 105 109.001 109.001 107.667 1.334 17822 4573 1 7 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.334 -0.629 17822 4574 1 7 . 1 1 105 105 GLY H H 105 8.045 8.045 8.061 -0.016 17822 4575 1 7 . 1 1 106 106 LYS N N 106 119.559 119.559 119.258 0.301 17822 4576 1 7 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.618 -0.287 17822 4577 1 7 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.541 -0.086 17822 4578 1 7 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.485 -0.063 17822 4579 1 7 . 1 1 106 106 LYS H H 106 6.924 6.924 7.563 -0.639 17822 4580 1 7 . 1 1 107 107 GLU N N 107 121.771 121.771 124.348 -2.577 17822 4581 1 7 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.344 0.610 17822 4582 1 7 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.428 -0.826 17822 4583 1 7 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.752 0.533 17822 4584 1 7 . 1 1 107 107 GLU H H 107 8.371 8.371 8.718 -0.347 17822 4585 1 7 . 1 1 108 108 LYS N N 108 125.216 125.216 121.624 3.592 17822 4586 1 7 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.441 -0.001 17822 4587 1 7 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.398 -0.312 17822 4588 1 7 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.670 1.245 17822 4589 1 7 . 1 1 108 108 LYS H H 108 8.946 8.946 8.108 0.838 17822 4590 1 7 . 1 1 109 109 LYS N N 109 125.136 125.136 128.355 -3.219 17822 4591 1 7 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.428 0.208 17822 4592 1 7 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.486 -0.712 17822 4593 1 7 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.835 -0.035 17822 4594 1 7 . 1 1 109 109 LYS H H 109 8.548 8.548 8.578 -0.030 17822 4595 1 7 . 1 1 110 110 VAL N N 110 125.626 125.626 127.884 -2.258 17822 4596 1 7 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.093 -0.017 17822 4597 1 7 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.232 -0.668 17822 4598 1 7 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.433 1.459 17822 4599 1 7 . 1 1 110 110 VAL H H 110 8.850 8.850 9.067 -0.217 17822 4600 1 7 . 1 1 111 111 ASN N N 111 126.837 126.837 126.847 -0.010 17822 4601 1 7 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.323 -0.035 17822 4602 1 7 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.536 0.773 17822 4603 1 7 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.381 0.088 17822 4604 1 7 . 1 1 111 111 ASN H H 111 8.711 8.711 8.440 0.271 17822 4605 1 7 . 1 1 112 112 ILE N N 112 125.729 125.729 123.319 2.410 17822 4606 1 7 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.470 -0.086 17822 4607 1 7 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.816 -0.626 17822 4608 1 7 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.854 -0.002 17822 4609 1 7 . 1 1 112 112 ILE H H 112 8.931 8.931 8.601 0.330 17822 4610 1 7 . 1 1 113 113 ASP N N 113 122.734 122.734 123.462 -0.728 17822 4611 1 7 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.835 -0.045 17822 4612 1 7 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.464 -1.259 17822 4613 1 7 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.928 -0.407 17822 4614 1 7 . 1 1 113 113 ASP H H 113 8.116 8.116 8.531 -0.415 17822 4615 1 7 . 1 1 114 114 PHE N N 114 116.385 116.385 118.079 -1.694 17822 4616 1 7 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.748 -0.045 17822 4617 1 7 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.969 -0.507 17822 4618 1 7 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.403 -0.696 17822 4619 1 7 . 1 1 114 114 PHE H H 114 8.613 8.613 8.146 0.467 17822 4620 1 7 . 1 1 115 115 GLU N N 115 124.642 124.642 121.177 3.465 17822 4621 1 7 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.631 0.162 17822 4622 1 7 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.138 -1.435 17822 4623 1 7 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.634 1.491 17822 4624 1 7 . 1 1 115 115 GLU H H 115 8.591 8.591 8.506 0.085 17822 4625 1 7 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.286 0.297 17822 4626 1 7 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.504 -0.153 17822 4627 1 7 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.272 -1.310 17822 4628 1 7 . 1 1 117 117 PHE N N 117 116.676 116.676 111.835 4.841 17822 4629 1 7 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.678 -0.484 17822 4630 1 7 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.758 0.881 17822 4631 1 7 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.032 -1.280 17822 4632 1 7 . 1 1 117 117 PHE H H 117 7.842 7.842 8.255 -0.413 17822 4633 1 7 . 1 1 118 118 LYS N N 118 118.589 118.589 119.029 -0.440 17822 4634 1 7 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.393 -0.210 17822 4635 1 7 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.561 -0.227 17822 4636 1 7 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.245 1.948 17822 4637 1 7 . 1 1 118 118 LYS H H 118 6.889 6.889 7.180 -0.291 17822 4638 1 7 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.547 -0.024 17822 4639 1 7 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.214 0.402 17822 4640 1 7 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.540 -0.368 17822 4641 1 7 . 1 1 120 120 ILE N N 120 121.968 121.968 122.030 -0.062 17822 4642 1 7 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.198 -0.292 17822 4643 1 7 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.461 1.957 17822 4644 1 7 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.269 0.536 17822 4645 1 7 . 1 1 120 120 ILE H H 120 7.440 7.440 7.695 -0.255 17822 4646 1 7 . 1 1 121 121 ASN N N 121 120.951 120.951 127.240 -6.289 17822 4647 1 7 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.370 0.262 17822 4648 1 7 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.228 -1.346 17822 4649 1 7 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.634 0.664 17822 4650 1 7 . 1 1 121 121 ASN H H 121 8.112 8.112 8.764 -0.652 17822 4651 1 7 . 1 1 122 122 GLN N N 122 118.826 118.826 116.139 2.687 17822 4652 1 7 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.439 -0.027 17822 4653 1 7 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.973 -0.575 17822 4654 1 7 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.998 -0.512 17822 4655 1 7 . 1 1 122 122 GLN H H 122 7.009 7.009 7.657 -0.648 17822 4656 1 7 . 1 1 123 123 PHE N N 123 122.795 122.795 120.016 2.779 17822 4657 1 7 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.522 0.192 17822 4658 1 7 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.238 -1.031 17822 4659 1 7 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.008 0.710 17822 4660 1 7 . 1 1 123 123 PHE H H 123 8.335 8.335 8.784 -0.449 17822 4661 1 7 . 1 1 124 124 MET N N 124 126.990 126.990 126.572 0.418 17822 4662 1 7 . 1 1 124 124 MET HA H 124 3.984 3.984 4.461 -0.477 17822 4663 1 7 . 1 1 124 124 MET CA C 124 54.799 54.799 54.377 0.422 17822 4664 1 7 . 1 1 124 124 MET CB C 124 37.330 37.330 36.307 1.023 17822 4665 1 7 . 1 1 124 124 MET H H 124 7.992 7.992 8.521 -0.529 17822 4666 1 7 . 1 1 125 125 TYR N N 125 122.216 122.216 124.878 -2.662 17822 4667 1 7 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.424 0.480 17822 4668 1 7 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.183 -0.434 17822 4669 1 7 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.263 0.890 17822 4670 1 7 . 1 1 125 125 TYR H H 125 7.552 7.552 8.125 -0.573 17822 4671 1 7 . 1 1 126 126 PHE N N 126 124.584 124.584 118.140 6.444 17822 4672 1 7 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.782 -0.707 17822 4673 1 7 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.346 1.059 17822 4674 1 7 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.937 3.482 17822 4675 1 7 . 1 1 126 126 PHE H H 126 8.271 8.271 6.356 1.915 17822 4676 1 7 . 1 1 127 127 CYS N N 127 124.011 124.011 118.837 5.174 17822 4677 1 7 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.693 0.103 17822 4678 1 7 . 1 1 127 127 CYS CA C 127 57.840 57.840 56.932 0.908 17822 4679 1 7 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.771 -4.840 17822 4680 1 7 . 1 1 127 127 CYS H H 127 8.442 8.442 8.781 -0.339 17822 4681 1 7 . 1 1 128 128 ASP N N 128 127.486 127.486 121.631 5.855 17822 4682 1 7 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.656 0.350 17822 4683 1 7 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.552 -2.046 17822 4684 1 7 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.685 2.711 17822 4685 1 7 . 1 1 128 128 ASP H H 128 8.907 8.907 8.387 0.520 17822 4686 1 7 . 1 1 129 129 ASN N N 129 119.092 119.092 114.274 4.818 17822 4687 1 7 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.308 0.356 17822 4688 1 7 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.105 -1.370 17822 4689 1 7 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.208 0.694 17822 4690 1 7 . 1 1 129 129 ASN H H 129 9.136 9.136 8.889 0.247 17822 4691 1 7 . 1 1 130 130 LYS N N 130 114.367 114.367 113.466 0.901 17822 4692 1 7 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.447 -0.284 17822 4693 1 7 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.246 -1.020 17822 4694 1 7 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.441 -0.349 17822 4695 1 7 . 1 1 130 130 LYS H H 130 7.115 7.115 7.118 -0.003 17822 4696 1 7 . 1 1 131 131 PHE N N 131 121.117 121.117 120.023 1.094 17822 4697 1 7 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.479 0.036 17822 4698 1 7 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.299 -2.149 17822 4699 1 7 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.150 -1.061 17822 4700 1 7 . 1 1 131 131 PHE H H 131 9.291 9.291 8.780 0.511 17822 4701 1 7 . 1 1 132 132 HIS N N 132 121.897 121.897 123.656 -1.759 17822 4702 1 7 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.897 -0.514 17822 4703 1 7 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.458 0.545 17822 4704 1 7 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.346 -2.003 17822 4705 1 7 . 1 1 132 132 HIS H H 132 9.026 9.026 8.338 0.688 17822 4706 1 7 . 1 1 133 133 THR N N 133 117.915 117.915 117.384 0.531 17822 4707 1 7 . 1 1 133 133 THR HA H 133 4.612 4.612 4.725 -0.113 17822 4708 1 7 . 1 1 133 133 THR CA C 133 61.679 61.679 61.636 0.043 17822 4709 1 7 . 1 1 133 133 THR CB C 133 73.856 73.856 70.814 3.042 17822 4710 1 7 . 1 1 133 133 THR H H 133 8.700 8.700 8.480 0.220 17822 4711 1 7 . 1 1 134 134 GLU N N 134 129.072 129.072 128.361 0.711 17822 4712 1 7 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.221 -0.242 17822 4713 1 7 . 1 1 134 134 GLU CA C 134 60.533 60.533 58.984 1.549 17822 4714 1 7 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.869 -2.366 17822 4715 1 7 . 1 1 134 134 GLU H H 134 10.805 10.805 8.789 2.016 17822 4716 1 7 . 1 1 135 135 ALA N N 135 122.099 122.099 122.305 -0.206 17822 4717 1 7 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.046 0.025 17822 4718 1 7 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.182 -0.669 17822 4719 1 7 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.694 1.067 17822 4720 1 7 . 1 1 135 135 ALA H H 135 8.590 8.590 8.681 -0.091 17822 4721 1 7 . 1 1 136 136 LEU N N 136 116.720 116.720 117.948 -1.228 17822 4722 1 7 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.032 0.022 17822 4723 1 7 . 1 1 136 136 LEU CA C 136 56.577 56.577 58.004 -1.427 17822 4724 1 7 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.481 -0.170 17822 4725 1 7 . 1 1 136 136 LEU H H 136 7.471 7.471 7.795 -0.324 17822 4726 1 7 . 1 1 137 137 THR N N 137 117.177 117.177 113.137 4.040 17822 4727 1 7 . 1 1 137 137 THR HA H 137 4.005 4.005 4.071 -0.066 17822 4728 1 7 . 1 1 137 137 THR CA C 137 66.610 66.610 65.359 1.251 17822 4729 1 7 . 1 1 137 137 THR CB C 137 67.980 67.980 68.808 -0.828 17822 4730 1 7 . 1 1 137 137 THR H H 137 8.044 8.044 7.598 0.446 17822 4731 1 7 . 1 1 138 138 ALA N N 138 124.719 124.719 124.305 0.414 17822 4732 1 7 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.177 -0.176 17822 4733 1 7 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.624 0.290 17822 4734 1 7 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.951 -1.454 17822 4735 1 7 . 1 1 138 138 ALA H H 138 7.695 7.695 8.154 -0.459 17822 4736 1 7 . 1 1 139 139 LEU N N 139 120.059 120.059 120.911 -0.852 17822 4737 1 7 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.003 -0.004 17822 4738 1 7 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.023 -0.529 17822 4739 1 7 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.698 1.114 17822 4740 1 7 . 1 1 139 139 LEU H H 139 7.345 7.345 8.377 -1.032 17822 4741 1 7 . 1 1 140 140 LEU N N 140 117.771 117.771 118.718 -0.947 17822 4742 1 7 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.018 -0.061 17822 4743 1 7 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.621 -1.643 17822 4744 1 7 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.926 0.313 17822 4745 1 7 . 1 1 140 140 LEU H H 140 7.748 7.748 7.822 -0.074 17822 4746 1 7 . 1 1 141 141 SER N N 141 114.778 114.778 112.163 2.615 17822 4747 1 7 . 1 1 141 141 SER HA H 141 4.107 4.107 4.201 -0.094 17822 4748 1 7 . 1 1 141 141 SER CA C 141 60.647 60.647 60.826 -0.179 17822 4749 1 7 . 1 1 141 141 SER CB C 141 62.650 62.650 62.951 -0.301 17822 4750 1 7 . 1 1 141 141 SER H H 141 7.807 7.807 7.588 0.219 17822 4751 1 7 . 1 1 142 142 ASP N N 142 121.827 121.827 122.642 -0.815 17822 4752 1 7 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.542 -0.184 17822 4753 1 7 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.401 -0.340 17822 4754 1 7 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.199 -0.590 17822 4755 1 7 . 1 1 142 142 ASP H H 142 7.878 7.878 8.257 -0.379 17822 4756 1 7 . 1 1 143 143 LEU N N 143 120.220 120.220 119.497 0.723 17822 4757 1 7 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.104 -0.132 17822 4758 1 7 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.328 0.134 17822 4759 1 7 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.508 -0.294 17822 4760 1 7 . 1 1 143 143 LEU H H 143 7.846 7.846 8.276 -0.430 17822 4761 1 8 . 1 1 2 2 ALA N N 2 125.964 125.964 121.782 4.182 17822 4762 1 8 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.027 0.585 17822 4763 1 8 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.541 -0.249 17822 4764 1 8 . 1 1 2 2 ALA H H 2 8.065 8.065 8.577 -0.512 17822 4765 1 8 . 1 1 3 3 ASP N N 3 119.188 119.188 119.500 -0.312 17822 4766 1 8 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.759 -0.149 17822 4767 1 8 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.336 0.546 17822 4768 1 8 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.411 -0.601 17822 4769 1 8 . 1 1 3 3 ASP H H 3 8.203 8.203 8.167 0.036 17822 4770 1 8 . 1 1 4 4 ASP N N 4 121.607 121.607 120.768 0.839 17822 4771 1 8 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.729 -0.357 17822 4772 1 8 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.927 -1.166 17822 4773 1 8 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.575 -0.665 17822 4774 1 8 . 1 1 4 4 ASP H H 4 7.954 7.954 8.048 -0.094 17822 4775 1 8 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.400 -0.148 17822 4776 1 8 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.378 -1.010 17822 4777 1 8 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.013 -0.154 17822 4778 1 8 . 1 1 6 6 SER N N 6 115.864 115.864 112.642 3.222 17822 4779 1 8 . 1 1 6 6 SER HA H 6 4.252 4.252 4.521 -0.269 17822 4780 1 8 . 1 1 6 6 SER CA C 6 58.870 58.870 58.252 0.618 17822 4781 1 8 . 1 1 6 6 SER CB C 6 63.368 63.368 61.764 1.604 17822 4782 1 8 . 1 1 6 6 SER H H 6 8.310 8.310 8.151 0.159 17822 4783 1 8 . 1 1 7 7 ALA N N 7 125.955 125.955 124.674 1.281 17822 4784 1 8 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.140 -0.141 17822 4785 1 8 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.390 -1.081 17822 4786 1 8 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.191 0.360 17822 4787 1 8 . 1 1 7 7 ALA H H 7 7.854 7.854 7.565 0.289 17822 4788 1 8 . 1 1 8 8 ALA N N 8 122.354 122.354 120.913 1.441 17822 4789 1 8 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.992 -0.195 17822 4790 1 8 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.078 -1.482 17822 4791 1 8 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.315 0.137 17822 4792 1 8 . 1 1 8 8 ALA H H 8 7.910 7.910 8.190 -0.280 17822 4793 1 8 . 1 1 9 9 ASP N N 9 119.431 119.431 118.099 1.332 17822 4794 1 8 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.387 -0.068 17822 4795 1 8 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.055 -1.912 17822 4796 1 8 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.306 0.317 17822 4797 1 8 . 1 1 9 9 ASP H H 9 7.970 7.970 7.931 0.039 17822 4798 1 8 . 1 1 10 10 ARG N N 10 122.263 122.263 120.476 1.787 17822 4799 1 8 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.291 -0.455 17822 4800 1 8 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.826 -1.045 17822 4801 1 8 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.206 -0.325 17822 4802 1 8 . 1 1 10 10 ARG H H 10 8.036 8.036 7.899 0.137 17822 4803 1 8 . 1 1 11 11 ASN N N 11 118.325 118.325 117.292 1.033 17822 4804 1 8 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.457 -0.154 17822 4805 1 8 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.953 -0.810 17822 4806 1 8 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.563 -0.762 17822 4807 1 8 . 1 1 11 11 ASN H H 11 8.077 8.077 7.719 0.358 17822 4808 1 8 . 1 1 12 12 VAL N N 12 122.103 122.103 121.501 0.602 17822 4809 1 8 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.607 1.008 17822 4810 1 8 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.450 -0.829 17822 4811 1 8 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.522 -0.036 17822 4812 1 8 . 1 1 12 12 VAL H H 12 7.741 7.741 7.703 0.038 17822 4813 1 8 . 1 1 13 13 GLU N N 13 120.785 120.785 119.449 1.336 17822 4814 1 8 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.850 -0.616 17822 4815 1 8 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.383 5.678 17822 4816 1 8 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.863 0.905 17822 4817 1 8 . 1 1 13 13 GLU H H 13 7.751 7.751 7.927 -0.176 17822 4818 1 8 . 1 1 14 14 ILE N N 14 120.199 120.199 120.262 -0.063 17822 4819 1 8 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.572 0.216 17822 4820 1 8 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.577 -5.395 17822 4821 1 8 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.350 -1.356 17822 4822 1 8 . 1 1 14 14 ILE H H 14 7.650 7.650 7.162 0.488 17822 4823 1 8 . 1 1 15 15 TRP N N 15 120.828 120.828 117.668 3.160 17822 4824 1 8 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.621 -0.568 17822 4825 1 8 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.569 3.021 17822 4826 1 8 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.689 -0.245 17822 4827 1 8 . 1 1 15 15 TRP H H 15 7.759 7.759 7.153 0.606 17822 4828 1 8 . 1 1 16 16 LYS N N 16 119.063 119.063 122.321 -3.258 17822 4829 1 8 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.163 -0.673 17822 4830 1 8 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.143 1.826 17822 4831 1 8 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.028 0.150 17822 4832 1 8 . 1 1 16 16 LYS H H 16 7.963 7.963 7.729 0.234 17822 4833 1 8 . 1 1 17 17 ILE N N 17 120.609 120.609 119.410 1.199 17822 4834 1 8 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.805 -0.194 17822 4835 1 8 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.547 -1.091 17822 4836 1 8 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.448 -1.150 17822 4837 1 8 . 1 1 17 17 ILE H H 17 7.630 7.630 8.454 -0.824 17822 4838 1 8 . 1 1 18 18 LYS N N 18 121.687 121.687 118.833 2.854 17822 4839 1 8 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.013 -0.430 17822 4840 1 8 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.512 1.418 17822 4841 1 8 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.555 0.527 17822 4842 1 8 . 1 1 18 18 LYS H H 18 8.297 8.297 7.793 0.504 17822 4843 1 8 . 1 1 19 19 LYS N N 19 119.253 119.253 118.659 0.594 17822 4844 1 8 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.135 -0.518 17822 4845 1 8 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.626 0.359 17822 4846 1 8 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.328 -0.469 17822 4847 1 8 . 1 1 19 19 LYS H H 19 7.685 7.685 7.710 -0.025 17822 4848 1 8 . 1 1 20 20 LEU N N 20 123.001 123.001 121.440 1.561 17822 4849 1 8 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.073 -0.248 17822 4850 1 8 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.659 0.122 17822 4851 1 8 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.760 -0.349 17822 4852 1 8 . 1 1 20 20 LEU H H 20 7.509 7.509 7.212 0.297 17822 4853 1 8 . 1 1 21 21 ILE N N 21 119.392 119.392 119.743 -0.351 17822 4854 1 8 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.775 -0.705 17822 4855 1 8 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.501 2.994 17822 4856 1 8 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.047 1.156 17822 4857 1 8 . 1 1 21 21 ILE H H 21 8.474 8.474 8.212 0.262 17822 4858 1 8 . 1 1 22 22 LYS N N 22 117.524 117.524 119.196 -1.672 17822 4859 1 8 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.096 -0.290 17822 4860 1 8 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.704 0.109 17822 4861 1 8 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.085 -0.198 17822 4862 1 8 . 1 1 22 22 LYS H H 22 7.300 7.300 7.575 -0.275 17822 4863 1 8 . 1 1 23 23 SER N N 23 114.880 114.880 115.369 -0.489 17822 4864 1 8 . 1 1 23 23 SER HA H 23 4.008 4.008 4.304 -0.296 17822 4865 1 8 . 1 1 23 23 SER CA C 23 61.106 61.106 60.780 0.326 17822 4866 1 8 . 1 1 23 23 SER CB C 23 62.587 62.587 63.701 -1.114 17822 4867 1 8 . 1 1 23 23 SER H H 23 7.653 7.653 7.511 0.142 17822 4868 1 8 . 1 1 24 24 LEU N N 24 121.607 121.607 122.294 -0.687 17822 4869 1 8 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.330 0.542 17822 4870 1 8 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.678 -0.815 17822 4871 1 8 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.287 0.002 17822 4872 1 8 . 1 1 24 24 LEU H H 24 8.158 8.158 7.789 0.369 17822 4873 1 8 . 1 1 25 25 GLU N N 25 119.392 119.392 117.379 2.013 17822 4874 1 8 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.207 -0.326 17822 4875 1 8 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.608 -0.025 17822 4876 1 8 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.354 -0.174 17822 4877 1 8 . 1 1 25 25 GLU H H 25 8.344 8.344 7.786 0.558 17822 4878 1 8 . 1 1 26 26 ALA N N 26 119.228 119.228 120.452 -1.224 17822 4879 1 8 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.372 -0.255 17822 4880 1 8 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.815 0.175 17822 4881 1 8 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.728 -0.775 17822 4882 1 8 . 1 1 26 26 ALA H H 26 7.154 7.154 7.552 -0.398 17822 4883 1 8 . 1 1 27 27 ALA N N 27 121.417 121.417 122.490 -1.073 17822 4884 1 8 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.479 -0.409 17822 4885 1 8 . 1 1 27 27 ALA CA C 27 52.468 52.468 52.572 -0.104 17822 4886 1 8 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.407 -0.104 17822 4887 1 8 . 1 1 27 27 ALA H H 27 6.833 6.833 7.518 -0.685 17822 4888 1 8 . 1 1 28 28 ARG N N 28 123.986 123.986 122.792 1.194 17822 4889 1 8 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.632 -0.136 17822 4890 1 8 . 1 1 28 28 ARG CA C 28 54.169 54.169 54.818 -0.649 17822 4891 1 8 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.572 0.389 17822 4892 1 8 . 1 1 28 28 ARG H H 28 8.679 8.679 8.225 0.454 17822 4893 1 8 . 1 1 29 29 GLY N N 29 109.466 109.466 108.632 0.834 17822 4894 1 8 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.536 -0.147 17822 4895 1 8 . 1 1 29 29 GLY H H 29 8.091 8.091 8.272 -0.181 17822 4896 1 8 . 1 1 30 30 ASN N N 30 120.048 120.048 115.552 4.496 17822 4897 1 8 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.625 0.030 17822 4898 1 8 . 1 1 30 30 ASN CA C 30 51.629 51.629 52.992 -1.363 17822 4899 1 8 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.106 -1.304 17822 4900 1 8 . 1 1 30 30 ASN H H 30 8.419 8.419 8.431 -0.012 17822 4901 1 8 . 1 1 31 31 GLY N N 31 110.450 110.450 105.668 4.782 17822 4902 1 8 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.659 -0.973 17822 4903 1 8 . 1 1 31 31 GLY H H 31 8.071 8.071 8.574 -0.503 17822 4904 1 8 . 1 1 32 32 THR N N 32 112.929 112.929 116.458 -3.529 17822 4905 1 8 . 1 1 32 32 THR HA H 32 4.993 4.993 4.564 0.429 17822 4906 1 8 . 1 1 32 32 THR CA C 32 59.598 59.598 60.123 -0.525 17822 4907 1 8 . 1 1 32 32 THR H H 32 7.747 7.747 7.709 0.038 17822 4908 1 8 . 1 1 33 33 SER N N 33 115.208 115.208 115.961 -0.753 17822 4909 1 8 . 1 1 33 33 SER HA H 33 4.335 4.335 4.762 -0.427 17822 4910 1 8 . 1 1 33 33 SER CA C 33 58.067 58.067 57.657 0.410 17822 4911 1 8 . 1 1 33 33 SER CB C 33 64.572 64.572 64.931 -0.359 17822 4912 1 8 . 1 1 33 33 SER H H 33 7.701 7.701 8.346 -0.645 17822 4913 1 8 . 1 1 34 34 MET N N 34 120.869 120.869 122.860 -1.991 17822 4914 1 8 . 1 1 34 34 MET HA H 34 4.666 4.666 4.689 -0.023 17822 4915 1 8 . 1 1 34 34 MET CA C 34 54.799 54.799 54.776 0.023 17822 4916 1 8 . 1 1 34 34 MET CB C 34 34.700 34.700 34.060 0.640 17822 4917 1 8 . 1 1 34 34 MET H H 34 8.679 8.679 8.314 0.365 17822 4918 1 8 . 1 1 35 35 ILE N N 35 126.806 126.806 122.175 4.631 17822 4919 1 8 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.232 1.938 17822 4920 1 8 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.962 -0.060 17822 4921 1 8 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.280 -0.607 17822 4922 1 8 . 1 1 35 35 ILE H H 35 9.562 9.562 8.329 1.233 17822 4923 1 8 . 1 1 36 36 SER N N 36 122.217 122.217 122.763 -0.546 17822 4924 1 8 . 1 1 36 36 SER HA H 36 4.968 4.968 5.075 -0.107 17822 4925 1 8 . 1 1 36 36 SER CA C 36 56.602 56.602 57.336 -0.734 17822 4926 1 8 . 1 1 36 36 SER CB C 36 64.572 64.572 64.421 0.151 17822 4927 1 8 . 1 1 36 36 SER H H 36 8.422 8.422 8.066 0.356 17822 4928 1 8 . 1 1 37 37 LEU N N 37 128.938 128.938 124.374 4.564 17822 4929 1 8 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.897 0.084 17822 4930 1 8 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.293 0.188 17822 4931 1 8 . 1 1 37 37 LEU CB C 37 45.376 45.376 46.204 -0.828 17822 4932 1 8 . 1 1 37 37 LEU H H 37 8.916 8.916 7.549 1.367 17822 4933 1 8 . 1 1 38 38 ILE N N 38 128.296 128.296 115.221 13.075 17822 4934 1 8 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.960 0.012 17822 4935 1 8 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.546 0.299 17822 4936 1 8 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.215 -2.210 17822 4937 1 8 . 1 1 38 38 ILE H H 38 8.740 8.740 8.381 0.359 17822 4938 1 8 . 1 1 39 39 ILE N N 39 125.429 125.429 123.491 1.938 17822 4939 1 8 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.586 -0.187 17822 4940 1 8 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.646 -0.923 17822 4941 1 8 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.212 2.449 17822 4942 1 8 . 1 1 39 39 ILE H H 39 8.960 8.960 8.216 0.744 17822 4943 1 8 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.785 -0.378 17822 4944 1 8 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.487 5.695 17822 4945 1 8 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.162 0.210 17822 4946 1 8 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.382 -0.561 17822 4947 1 8 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.335 3.480 17822 4948 1 8 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.772 0.405 17822 4949 1 8 . 1 1 42 42 LYS N N 42 113.683 113.683 117.444 -3.761 17822 4950 1 8 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.384 -0.428 17822 4951 1 8 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.359 0.447 17822 4952 1 8 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.374 -2.192 17822 4953 1 8 . 1 1 42 42 LYS H H 42 8.004 8.004 8.289 -0.285 17822 4954 1 8 . 1 1 43 43 ASP N N 43 121.628 121.628 117.928 3.700 17822 4955 1 8 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.757 -0.322 17822 4956 1 8 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.167 -0.661 17822 4957 1 8 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.724 -1.508 17822 4958 1 8 . 1 1 43 43 ASP H H 43 7.290 7.290 7.491 -0.201 17822 4959 1 8 . 1 1 44 44 GLN N N 44 117.587 117.587 117.731 -0.144 17822 4960 1 8 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.627 -0.090 17822 4961 1 8 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.299 -0.360 17822 4962 1 8 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.899 -0.355 17822 4963 1 8 . 1 1 44 44 GLN H H 44 9.610 9.610 8.386 1.224 17822 4964 1 8 . 1 1 45 45 ILE N N 45 126.939 126.939 121.585 5.354 17822 4965 1 8 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.699 -0.398 17822 4966 1 8 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.749 -0.465 17822 4967 1 8 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.251 -1.618 17822 4968 1 8 . 1 1 45 45 ILE H H 45 8.806 8.806 8.817 -0.011 17822 4969 1 8 . 1 1 46 46 SER N N 46 113.239 113.239 114.590 -1.351 17822 4970 1 8 . 1 1 46 46 SER HA H 46 3.931 3.931 4.336 -0.405 17822 4971 1 8 . 1 1 46 46 SER CA C 46 60.762 60.762 61.464 -0.702 17822 4972 1 8 . 1 1 46 46 SER CB C 46 61.464 61.464 62.922 -1.458 17822 4973 1 8 . 1 1 46 46 SER H H 46 8.476 8.476 8.330 0.146 17822 4974 1 8 . 1 1 47 47 ARG N N 47 124.530 124.530 121.820 2.710 17822 4975 1 8 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.011 -0.220 17822 4976 1 8 . 1 1 47 47 ARG CA C 47 58.927 58.927 59.058 -0.131 17822 4977 1 8 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.806 0.777 17822 4978 1 8 . 1 1 47 47 ARG H H 47 6.731 6.731 7.669 -0.938 17822 4979 1 8 . 1 1 48 48 VAL N N 48 121.935 121.935 119.038 2.897 17822 4980 1 8 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.734 -0.587 17822 4981 1 8 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.560 -0.352 17822 4982 1 8 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.058 0.410 17822 4983 1 8 . 1 1 48 48 VAL H H 48 7.257 7.257 7.614 -0.357 17822 4984 1 8 . 1 1 49 49 ALA N N 49 122.345 122.345 120.017 2.328 17822 4985 1 8 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.013 -0.131 17822 4986 1 8 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.857 0.286 17822 4987 1 8 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.219 -0.569 17822 4988 1 8 . 1 1 49 49 ALA H H 49 8.864 8.864 7.752 1.112 17822 4989 1 8 . 1 1 50 50 LYS N N 50 120.376 120.376 119.693 0.683 17822 4990 1 8 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.131 -0.228 17822 4991 1 8 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.642 0.285 17822 4992 1 8 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.385 -0.799 17822 4993 1 8 . 1 1 50 50 LYS H H 50 7.380 7.380 7.829 -0.449 17822 4994 1 8 . 1 1 51 51 MET N N 51 121.641 121.641 118.078 3.563 17822 4995 1 8 . 1 1 51 51 MET HA H 51 3.935 3.935 4.172 -0.237 17822 4996 1 8 . 1 1 51 51 MET CA C 51 58.927 58.927 58.631 0.296 17822 4997 1 8 . 1 1 51 51 MET CB C 51 30.734 30.734 32.063 -1.329 17822 4998 1 8 . 1 1 51 51 MET H H 51 7.508 7.508 8.053 -0.545 17822 4999 1 8 . 1 1 52 52 LEU N N 52 120.125 120.125 120.287 -0.162 17822 5000 1 8 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.214 -0.557 17822 5001 1 8 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.028 0.409 17822 5002 1 8 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.865 -0.311 17822 5003 1 8 . 1 1 52 52 LEU H H 52 8.203 8.203 7.772 0.431 17822 5004 1 8 . 1 1 53 53 ALA N N 53 123.639 123.639 121.925 1.714 17822 5005 1 8 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.859 0.086 17822 5006 1 8 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.355 -0.556 17822 5007 1 8 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.892 -0.642 17822 5008 1 8 . 1 1 53 53 ALA H H 53 7.775 7.775 7.638 0.137 17822 5009 1 8 . 1 1 54 54 ASP N N 54 123.165 123.165 118.058 5.107 17822 5010 1 8 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.363 -0.034 17822 5011 1 8 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.448 -0.241 17822 5012 1 8 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.898 -1.792 17822 5013 1 8 . 1 1 54 54 ASP H H 54 8.156 8.156 7.676 0.480 17822 5014 1 8 . 1 1 55 55 GLU N N 55 122.017 122.017 119.429 2.588 17822 5015 1 8 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.034 -0.158 17822 5016 1 8 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.041 -0.458 17822 5017 1 8 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.477 -0.458 17822 5018 1 8 . 1 1 55 55 GLU H H 55 8.221 8.221 7.614 0.607 17822 5019 1 8 . 1 1 56 56 PHE N N 56 123.334 123.334 121.525 1.809 17822 5020 1 8 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.229 0.452 17822 5021 1 8 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.376 0.140 17822 5022 1 8 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.856 0.356 17822 5023 1 8 . 1 1 56 56 PHE H H 56 8.711 8.711 8.072 0.639 17822 5024 1 8 . 1 1 57 57 GLY N N 57 107.156 107.156 105.875 1.281 17822 5025 1 8 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.306 0.177 17822 5026 1 8 . 1 1 57 57 GLY H H 57 7.985 7.985 8.034 -0.049 17822 5027 1 8 . 1 1 58 58 THR N N 58 118.940 118.940 117.302 1.638 17822 5028 1 8 . 1 1 58 58 THR HA H 58 4.062 4.062 4.272 -0.210 17822 5029 1 8 . 1 1 58 58 THR CA C 58 65.406 65.406 64.933 0.473 17822 5030 1 8 . 1 1 58 58 THR CB C 58 68.408 68.408 69.127 -0.719 17822 5031 1 8 . 1 1 58 58 THR H H 58 7.992 7.992 7.768 0.224 17822 5032 1 8 . 1 1 59 59 ALA N N 59 126.365 126.365 124.985 1.380 17822 5033 1 8 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.102 -0.174 17822 5034 1 8 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.486 -0.547 17822 5035 1 8 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.779 0.372 17822 5036 1 8 . 1 1 59 59 ALA H H 59 8.351 8.351 7.799 0.552 17822 5037 1 8 . 1 1 60 60 SER N N 60 112.435 112.435 111.871 0.564 17822 5038 1 8 . 1 1 60 60 SER HA H 60 4.632 4.632 4.143 0.489 17822 5039 1 8 . 1 1 60 60 SER CA C 60 61.220 61.220 59.297 1.923 17822 5040 1 8 . 1 1 60 60 SER CB C 60 62.686 62.686 62.754 -0.068 17822 5041 1 8 . 1 1 60 60 SER H H 60 7.459 7.459 7.793 -0.334 17822 5042 1 8 . 1 1 61 61 ASN N N 61 116.971 116.971 118.600 -1.629 17822 5043 1 8 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.612 -0.099 17822 5044 1 8 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.616 -0.594 17822 5045 1 8 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.061 -0.056 17822 5046 1 8 . 1 1 61 61 ASN H H 61 7.372 7.372 7.401 -0.029 17822 5047 1 8 . 1 1 62 62 ILE N N 62 123.980 123.980 122.047 1.933 17822 5048 1 8 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.838 -0.202 17822 5049 1 8 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.226 1.202 17822 5050 1 8 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.959 -0.529 17822 5051 1 8 . 1 1 62 62 ILE H H 62 7.461 7.461 7.368 0.093 17822 5052 1 8 . 1 1 63 63 LYS N N 63 128.982 128.982 126.304 2.678 17822 5053 1 8 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.072 -0.275 17822 5054 1 8 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.288 0.410 17822 5055 1 8 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.511 0.195 17822 5056 1 8 . 1 1 63 63 LYS H H 63 8.417 8.417 8.366 0.051 17822 5057 1 8 . 1 1 64 64 SER N N 64 114.306 114.306 118.166 -3.860 17822 5058 1 8 . 1 1 64 64 SER HA H 64 4.616 4.616 4.550 0.066 17822 5059 1 8 . 1 1 64 64 SER CA C 64 56.749 56.749 57.205 -0.455 17822 5060 1 8 . 1 1 64 64 SER CB C 64 62.962 62.962 63.223 -0.261 17822 5061 1 8 . 1 1 64 64 SER H H 64 7.599 7.599 8.077 -0.478 17822 5062 1 8 . 1 1 65 65 ARG N N 65 132.125 132.125 127.885 4.240 17822 5063 1 8 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.893 0.413 17822 5064 1 8 . 1 1 65 65 ARG CA C 65 59.902 59.902 60.027 -0.125 17822 5065 1 8 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.849 3.249 17822 5066 1 8 . 1 1 65 65 ARG H H 65 8.689 8.689 8.756 -0.067 17822 5067 1 8 . 1 1 66 66 VAL N N 66 116.947 116.947 119.166 -2.219 17822 5068 1 8 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.574 -0.023 17822 5069 1 8 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.781 -1.318 17822 5070 1 8 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.232 0.354 17822 5071 1 8 . 1 1 66 66 VAL H H 66 7.946 7.946 8.209 -0.263 17822 5072 1 8 . 1 1 67 67 ASN N N 67 119.499 119.499 117.061 2.438 17822 5073 1 8 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.355 0.057 17822 5074 1 8 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.245 -0.872 17822 5075 1 8 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.325 -0.289 17822 5076 1 8 . 1 1 67 67 ASN H H 67 7.386 7.386 7.702 -0.316 17822 5077 1 8 . 1 1 68 68 ARG N N 68 122.132 122.132 121.878 0.254 17822 5078 1 8 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.975 -0.381 17822 5079 1 8 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.386 0.411 17822 5080 1 8 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.015 0.544 17822 5081 1 8 . 1 1 68 68 ARG H H 68 8.566 8.566 7.799 0.767 17822 5082 1 8 . 1 1 69 69 LEU N N 69 116.564 116.564 118.408 -1.844 17822 5083 1 8 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.307 -0.524 17822 5084 1 8 . 1 1 69 69 LEU CA C 69 57.895 57.895 56.828 1.067 17822 5085 1 8 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.977 -0.368 17822 5086 1 8 . 1 1 69 69 LEU H H 69 8.167 8.167 8.576 -0.409 17822 5087 1 8 . 1 1 70 70 SER N N 70 116.805 116.805 114.178 2.627 17822 5088 1 8 . 1 1 70 70 SER HA H 70 4.132 4.132 4.264 -0.132 17822 5089 1 8 . 1 1 70 70 SER CA C 70 61.450 61.450 61.152 0.298 17822 5090 1 8 . 1 1 70 70 SER CB C 70 62.635 62.635 63.027 -0.392 17822 5091 1 8 . 1 1 70 70 SER H H 70 7.589 7.589 7.323 0.266 17822 5092 1 8 . 1 1 71 71 VAL N N 71 124.991 124.991 123.361 1.630 17822 5093 1 8 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.922 -0.439 17822 5094 1 8 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.374 1.465 17822 5095 1 8 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.824 -0.175 17822 5096 1 8 . 1 1 71 71 VAL H H 71 7.934 7.934 8.440 -0.506 17822 5097 1 8 . 1 1 72 72 LEU N N 72 118.680 118.680 119.495 -0.815 17822 5098 1 8 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.083 -0.362 17822 5099 1 8 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.624 0.614 17822 5100 1 8 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.081 -0.783 17822 5101 1 8 . 1 1 72 72 LEU H H 72 8.354 8.354 8.099 0.255 17822 5102 1 8 . 1 1 73 73 GLY N N 73 106.674 106.674 106.396 0.278 17822 5103 1 8 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.343 -0.398 17822 5104 1 8 . 1 1 73 73 GLY H H 73 8.052 8.052 7.889 0.163 17822 5105 1 8 . 1 1 74 74 ALA N N 74 127.313 127.313 125.253 2.060 17822 5106 1 8 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.375 -0.222 17822 5107 1 8 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.248 1.125 17822 5108 1 8 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.658 -0.852 17822 5109 1 8 . 1 1 74 74 ALA H H 74 7.784 7.784 7.399 0.385 17822 5110 1 8 . 1 1 75 75 ILE N N 75 119.310 119.310 119.203 0.107 17822 5111 1 8 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.614 -0.252 17822 5112 1 8 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.542 1.068 17822 5113 1 8 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.058 0.366 17822 5114 1 8 . 1 1 75 75 ILE H H 75 8.638 8.638 8.050 0.588 17822 5115 1 8 . 1 1 76 76 THR N N 76 116.205 116.205 113.170 3.035 17822 5116 1 8 . 1 1 76 76 THR HA H 76 4.227 4.227 3.968 0.259 17822 5117 1 8 . 1 1 76 76 THR CA C 76 66.782 66.782 67.288 -0.506 17822 5118 1 8 . 1 1 76 76 THR CB C 76 68.478 68.478 68.713 -0.235 17822 5119 1 8 . 1 1 76 76 THR H H 76 8.317 8.317 8.450 -0.133 17822 5120 1 8 . 1 1 77 77 SER N N 77 118.405 118.405 118.963 -0.558 17822 5121 1 8 . 1 1 77 77 SER HA H 77 4.173 4.173 4.135 0.038 17822 5122 1 8 . 1 1 77 77 SER CA C 77 62.482 62.482 61.503 0.979 17822 5123 1 8 . 1 1 77 77 SER CB C 77 63.484 63.484 62.811 0.673 17822 5124 1 8 . 1 1 77 77 SER H H 77 7.843 7.843 7.742 0.101 17822 5125 1 8 . 1 1 78 78 VAL N N 78 124.171 124.171 122.410 1.761 17822 5126 1 8 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.738 -0.165 17822 5127 1 8 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.700 1.024 17822 5128 1 8 . 1 1 78 78 VAL CB C 78 30.984 30.984 30.692 0.292 17822 5129 1 8 . 1 1 78 78 VAL H H 78 8.153 8.153 8.336 -0.183 17822 5130 1 8 . 1 1 79 79 GLN N N 79 120.008 120.008 118.788 1.220 17822 5131 1 8 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.859 0.070 17822 5132 1 8 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.810 -0.424 17822 5133 1 8 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.370 0.409 17822 5134 1 8 . 1 1 79 79 GLN H H 79 8.688 8.688 8.594 0.094 17822 5135 1 8 . 1 1 80 80 GLN N N 80 116.870 116.870 116.790 0.080 17822 5136 1 8 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.091 -0.316 17822 5137 1 8 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.611 -0.085 17822 5138 1 8 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.576 -0.599 17822 5139 1 8 . 1 1 80 80 GLN H H 80 7.850 7.850 7.977 -0.127 17822 5140 1 8 . 1 1 81 81 ARG N N 81 119.074 119.074 119.895 -0.821 17822 5141 1 8 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.187 -0.195 17822 5142 1 8 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.385 -1.751 17822 5143 1 8 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.177 -1.855 17822 5144 1 8 . 1 1 81 81 ARG H H 81 7.520 7.520 7.759 -0.239 17822 5145 1 8 . 1 1 82 82 LEU N N 82 117.238 117.238 119.747 -2.509 17822 5146 1 8 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.160 -0.269 17822 5147 1 8 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.333 -0.895 17822 5148 1 8 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.046 -0.236 17822 5149 1 8 . 1 1 82 82 LEU H H 82 8.189 8.189 8.321 -0.132 17822 5150 1 8 . 1 1 83 83 LYS N N 83 114.899 114.899 119.736 -4.837 17822 5151 1 8 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.095 -0.150 17822 5152 1 8 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.165 -1.499 17822 5153 1 8 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.094 -0.107 17822 5154 1 8 . 1 1 83 83 LYS H H 83 7.064 7.064 7.643 -0.579 17822 5155 1 8 . 1 1 84 84 LEU N N 84 117.840 117.840 118.900 -1.060 17822 5156 1 8 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.067 -0.194 17822 5157 1 8 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.976 -1.661 17822 5158 1 8 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.952 -1.023 17822 5159 1 8 . 1 1 84 84 LEU H H 84 7.271 7.271 7.989 -0.718 17822 5160 1 8 . 1 1 85 85 TYR N N 85 119.720 119.720 117.485 2.235 17822 5161 1 8 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.300 -0.045 17822 5162 1 8 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.711 -1.644 17822 5163 1 8 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.742 0.326 17822 5164 1 8 . 1 1 85 85 TYR H H 85 7.633 7.633 7.688 -0.055 17822 5165 1 8 . 1 1 86 86 ASN N N 86 119.638 119.638 115.204 4.434 17822 5166 1 8 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.394 0.080 17822 5167 1 8 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.387 -0.505 17822 5168 1 8 . 1 1 86 86 ASN CB C 86 38.742 38.742 37.810 0.932 17822 5169 1 8 . 1 1 86 86 ASN H H 86 8.622 8.622 8.196 0.426 17822 5170 1 8 . 1 1 87 87 LYS N N 87 116.321 116.321 118.151 -1.830 17822 5171 1 8 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.564 -0.066 17822 5172 1 8 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.693 -0.524 17822 5173 1 8 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.779 -1.106 17822 5174 1 8 . 1 1 87 87 LYS H H 87 7.631 7.631 7.905 -0.274 17822 5175 1 8 . 1 1 88 88 VAL N N 88 125.141 125.141 121.499 3.642 17822 5176 1 8 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.447 -0.825 17822 5177 1 8 . 1 1 88 88 VAL CA C 88 61.966 61.966 59.550 2.416 17822 5178 1 8 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.963 1.325 17822 5179 1 8 . 1 1 88 88 VAL H H 88 8.357 8.357 8.487 -0.130 17822 5180 1 8 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.677 -0.424 17822 5181 1 8 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.347 1.993 17822 5182 1 8 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.011 0.543 17822 5183 1 8 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.258 0.242 17822 5184 1 8 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.294 0.685 17822 5185 1 8 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.084 0.104 17822 5186 1 8 . 1 1 91 91 ASN N N 91 112.735 112.735 116.336 -3.601 17822 5187 1 8 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.459 0.196 17822 5188 1 8 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.762 -1.887 17822 5189 1 8 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.758 -1.315 17822 5190 1 8 . 1 1 91 91 ASN H H 91 9.163 9.163 8.578 0.585 17822 5191 1 8 . 1 1 92 92 GLY N N 92 108.893 108.893 106.775 2.118 17822 5192 1 8 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.659 -1.218 17822 5193 1 8 . 1 1 92 92 GLY H H 92 7.898 7.898 7.327 0.571 17822 5194 1 8 . 1 1 93 93 LEU N N 93 117.751 117.751 126.547 -8.796 17822 5195 1 8 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.232 0.092 17822 5196 1 8 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.152 -0.385 17822 5197 1 8 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.142 5.385 17822 5198 1 8 . 1 1 93 93 LEU H H 93 8.508 8.508 7.610 0.898 17822 5199 1 8 . 1 1 94 94 VAL N N 94 126.296 126.296 128.263 -1.967 17822 5200 1 8 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.744 -0.394 17822 5201 1 8 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.218 -0.743 17822 5202 1 8 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.787 -0.619 17822 5203 1 8 . 1 1 94 94 VAL H H 94 8.168 8.168 7.976 0.193 17822 5204 1 8 . 1 1 95 95 VAL N N 95 125.531 125.531 118.127 7.404 17822 5205 1 8 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.032 -0.892 17822 5206 1 8 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.663 0.640 17822 5207 1 8 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.214 0.981 17822 5208 1 8 . 1 1 95 95 VAL H H 95 8.744 8.744 8.233 0.511 17822 5209 1 8 . 1 1 96 96 TYR N N 96 123.577 123.577 123.935 -0.358 17822 5210 1 8 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.572 -0.240 17822 5211 1 8 . 1 1 96 96 TYR CA C 96 56.577 56.577 56.049 0.528 17822 5212 1 8 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.405 -0.785 17822 5213 1 8 . 1 1 96 96 TYR H H 96 8.698 8.698 9.131 -0.433 17822 5214 1 8 . 1 1 97 97 CYS N N 97 120.144 120.144 122.254 -2.110 17822 5215 1 8 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.748 -0.200 17822 5216 1 8 . 1 1 97 97 CYS CA C 97 56.577 56.577 58.040 -1.463 17822 5217 1 8 . 1 1 97 97 CYS CB C 97 31.786 31.786 31.338 0.448 17822 5218 1 8 . 1 1 97 97 CYS H H 97 8.796 8.796 8.355 0.441 17822 5219 1 8 . 1 1 98 98 GLY N N 98 112.534 112.534 113.993 -1.459 17822 5220 1 8 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.541 0.257 17822 5221 1 8 . 1 1 98 98 GLY H H 98 8.776 8.776 8.167 0.609 17822 5222 1 8 . 1 1 99 99 THR N N 99 119.083 119.083 120.302 -1.219 17822 5223 1 8 . 1 1 99 99 THR HA H 99 4.821 4.821 5.261 -0.440 17822 5224 1 8 . 1 1 99 99 THR CA C 99 62.294 62.294 62.002 0.292 17822 5225 1 8 . 1 1 99 99 THR CB C 99 69.781 69.781 70.450 -0.669 17822 5226 1 8 . 1 1 99 99 THR H H 99 8.168 8.168 8.518 -0.350 17822 5227 1 8 . 1 1 100 100 ILE N N 100 122.250 122.250 121.909 0.341 17822 5228 1 8 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.540 0.037 17822 5229 1 8 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.983 -0.400 17822 5230 1 8 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.890 -0.381 17822 5231 1 8 . 1 1 100 100 ILE H H 100 8.838 8.838 8.976 -0.138 17822 5232 1 8 . 1 1 101 101 VAL N N 101 120.622 120.622 125.130 -4.508 17822 5233 1 8 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.913 -0.263 17822 5234 1 8 . 1 1 101 101 VAL CA C 101 60.590 60.590 60.706 -0.116 17822 5235 1 8 . 1 1 101 101 VAL CB C 101 32.889 32.889 33.775 -0.886 17822 5236 1 8 . 1 1 101 101 VAL H H 101 8.310 8.310 8.524 -0.214 17822 5237 1 8 . 1 1 102 102 THR N N 102 118.661 118.661 121.428 -2.767 17822 5238 1 8 . 1 1 102 102 THR HA H 102 4.658 4.658 4.732 -0.074 17822 5239 1 8 . 1 1 102 102 THR CA C 102 60.590 60.590 59.892 0.698 17822 5240 1 8 . 1 1 102 102 THR CB C 102 71.189 71.189 70.650 0.539 17822 5241 1 8 . 1 1 102 102 THR H H 102 8.867 8.867 8.156 0.711 17822 5242 1 8 . 1 1 103 103 GLU N N 103 121.906 121.906 122.061 -0.155 17822 5243 1 8 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.010 -0.092 17822 5244 1 8 . 1 1 103 103 GLU CA C 103 58.927 58.927 59.033 -0.106 17822 5245 1 8 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.253 -0.323 17822 5246 1 8 . 1 1 103 103 GLU H H 103 9.243 9.243 8.775 0.468 17822 5247 1 8 . 1 1 104 104 GLU N N 104 116.013 116.013 119.352 -3.339 17822 5248 1 8 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.161 0.013 17822 5249 1 8 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.031 0.202 17822 5250 1 8 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.274 0.192 17822 5251 1 8 . 1 1 104 104 GLU H H 104 7.716 7.716 7.793 -0.077 17822 5252 1 8 . 1 1 105 105 GLY N N 105 109.001 109.001 107.869 1.132 17822 5253 1 8 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.378 -0.673 17822 5254 1 8 . 1 1 105 105 GLY H H 105 8.045 8.045 8.077 -0.032 17822 5255 1 8 . 1 1 106 106 LYS N N 106 119.559 119.559 118.713 0.846 17822 5256 1 8 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.638 -0.307 17822 5257 1 8 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.507 -0.052 17822 5258 1 8 . 1 1 106 106 LYS CB C 106 33.422 33.422 34.019 -0.597 17822 5259 1 8 . 1 1 106 106 LYS H H 106 6.924 6.924 7.523 -0.599 17822 5260 1 8 . 1 1 107 107 GLU N N 107 121.771 121.771 124.101 -2.330 17822 5261 1 8 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.332 0.622 17822 5262 1 8 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.672 -1.070 17822 5263 1 8 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.622 0.663 17822 5264 1 8 . 1 1 107 107 GLU H H 107 8.371 8.371 8.709 -0.338 17822 5265 1 8 . 1 1 108 108 LYS N N 108 125.216 125.216 125.224 -0.008 17822 5266 1 8 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.524 -0.084 17822 5267 1 8 . 1 1 108 108 LYS CA C 108 55.086 55.086 54.881 0.205 17822 5268 1 8 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.515 1.400 17822 5269 1 8 . 1 1 108 108 LYS H H 108 8.946 8.946 8.515 0.431 17822 5270 1 8 . 1 1 109 109 LYS N N 109 125.136 125.136 126.798 -1.662 17822 5271 1 8 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.494 0.142 17822 5272 1 8 . 1 1 109 109 LYS CA C 109 55.774 55.774 55.514 0.260 17822 5273 1 8 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.722 0.078 17822 5274 1 8 . 1 1 109 109 LYS H H 109 8.548 8.548 8.528 0.020 17822 5275 1 8 . 1 1 110 110 VAL N N 110 125.626 125.626 123.534 2.092 17822 5276 1 8 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.248 -0.172 17822 5277 1 8 . 1 1 110 110 VAL CA C 110 61.564 61.564 61.715 -0.151 17822 5278 1 8 . 1 1 110 110 VAL CB C 110 33.892 33.892 33.463 0.429 17822 5279 1 8 . 1 1 110 110 VAL H H 110 8.850 8.850 8.570 0.280 17822 5280 1 8 . 1 1 111 111 ASN N N 111 126.837 126.837 126.651 0.186 17822 5281 1 8 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.396 -0.108 17822 5282 1 8 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.585 0.724 17822 5283 1 8 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.659 -0.190 17822 5284 1 8 . 1 1 111 111 ASN H H 111 8.711 8.711 8.770 -0.059 17822 5285 1 8 . 1 1 112 112 ILE N N 112 125.729 125.729 123.764 1.965 17822 5286 1 8 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.530 -0.146 17822 5287 1 8 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.816 -0.627 17822 5288 1 8 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.146 -0.294 17822 5289 1 8 . 1 1 112 112 ILE H H 112 8.931 8.931 8.557 0.374 17822 5290 1 8 . 1 1 113 113 ASP N N 113 122.734 122.734 123.081 -0.347 17822 5291 1 8 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.938 -0.148 17822 5292 1 8 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.578 -1.373 17822 5293 1 8 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.390 0.131 17822 5294 1 8 . 1 1 113 113 ASP H H 113 8.116 8.116 8.432 -0.316 17822 5295 1 8 . 1 1 114 114 PHE N N 114 116.385 116.385 119.318 -2.933 17822 5296 1 8 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.903 -0.200 17822 5297 1 8 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.491 -0.029 17822 5298 1 8 . 1 1 114 114 PHE CB C 114 39.707 39.707 41.178 -1.471 17822 5299 1 8 . 1 1 114 114 PHE H H 114 8.613 8.613 8.210 0.403 17822 5300 1 8 . 1 1 115 115 GLU N N 115 124.642 124.642 120.246 4.396 17822 5301 1 8 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.649 0.144 17822 5302 1 8 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.998 -1.295 17822 5303 1 8 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.706 1.419 17822 5304 1 8 . 1 1 115 115 GLU H H 115 8.591 8.591 8.311 0.280 17822 5305 1 8 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.220 0.363 17822 5306 1 8 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.420 -0.069 17822 5307 1 8 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.252 -1.290 17822 5308 1 8 . 1 1 117 117 PHE N N 117 116.676 116.676 113.936 2.740 17822 5309 1 8 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.520 -0.326 17822 5310 1 8 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.974 0.665 17822 5311 1 8 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.615 -1.863 17822 5312 1 8 . 1 1 117 117 PHE H H 117 7.842 7.842 8.149 -0.307 17822 5313 1 8 . 1 1 118 118 LYS N N 118 118.589 118.589 119.125 -0.536 17822 5314 1 8 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.358 -0.175 17822 5315 1 8 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.295 0.039 17822 5316 1 8 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.102 2.091 17822 5317 1 8 . 1 1 118 118 LYS H H 118 6.889 6.889 7.047 -0.158 17822 5318 1 8 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.523 -0.000 17822 5319 1 8 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.262 0.354 17822 5320 1 8 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.422 -0.250 17822 5321 1 8 . 1 1 120 120 ILE N N 120 121.968 121.968 122.707 -0.739 17822 5322 1 8 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.127 -0.221 17822 5323 1 8 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.846 1.572 17822 5324 1 8 . 1 1 120 120 ILE CB C 120 38.805 38.805 37.723 1.082 17822 5325 1 8 . 1 1 120 120 ILE H H 120 7.440 7.440 7.716 -0.276 17822 5326 1 8 . 1 1 121 121 ASN N N 121 120.951 120.951 126.553 -5.602 17822 5327 1 8 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.413 0.219 17822 5328 1 8 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.105 -1.222 17822 5329 1 8 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.502 0.796 17822 5330 1 8 . 1 1 121 121 ASN H H 121 8.112 8.112 9.009 -0.897 17822 5331 1 8 . 1 1 122 122 GLN N N 122 118.826 118.826 116.023 2.803 17822 5332 1 8 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.379 0.033 17822 5333 1 8 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.867 -0.470 17822 5334 1 8 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.433 1.053 17822 5335 1 8 . 1 1 122 122 GLN H H 122 7.009 7.009 7.654 -0.645 17822 5336 1 8 . 1 1 123 123 PHE N N 123 122.795 122.795 118.104 4.691 17822 5337 1 8 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.470 0.244 17822 5338 1 8 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.541 -0.334 17822 5339 1 8 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.831 0.887 17822 5340 1 8 . 1 1 123 123 PHE H H 123 8.335 8.335 8.566 -0.231 17822 5341 1 8 . 1 1 124 124 MET N N 124 126.990 126.990 126.507 0.483 17822 5342 1 8 . 1 1 124 124 MET HA H 124 3.984 3.984 4.446 -0.462 17822 5343 1 8 . 1 1 124 124 MET CA C 124 54.799 54.799 54.511 0.288 17822 5344 1 8 . 1 1 124 124 MET CB C 124 37.330 37.330 36.440 0.890 17822 5345 1 8 . 1 1 124 124 MET H H 124 7.992 7.992 8.508 -0.516 17822 5346 1 8 . 1 1 125 125 TYR N N 125 122.216 122.216 125.043 -2.827 17822 5347 1 8 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.503 0.401 17822 5348 1 8 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.255 -0.506 17822 5349 1 8 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.414 0.739 17822 5350 1 8 . 1 1 125 125 TYR H H 125 7.552 7.552 8.124 -0.572 17822 5351 1 8 . 1 1 126 126 PHE N N 126 124.584 124.584 118.634 5.950 17822 5352 1 8 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.662 -0.587 17822 5353 1 8 . 1 1 126 126 PHE CA C 126 56.405 56.405 56.100 0.305 17822 5354 1 8 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.591 3.828 17822 5355 1 8 . 1 1 126 126 PHE H H 126 8.271 8.271 6.587 1.684 17822 5356 1 8 . 1 1 127 127 CYS N N 127 124.011 124.011 119.897 4.114 17822 5357 1 8 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.607 0.189 17822 5358 1 8 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.244 0.596 17822 5359 1 8 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.754 -4.823 17822 5360 1 8 . 1 1 127 127 CYS H H 127 8.442 8.442 8.950 -0.508 17822 5361 1 8 . 1 1 128 128 ASP N N 128 127.486 127.486 122.209 5.277 17822 5362 1 8 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.519 0.487 17822 5363 1 8 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.776 -2.270 17822 5364 1 8 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.815 2.582 17822 5365 1 8 . 1 1 128 128 ASP H H 128 8.907 8.907 8.467 0.440 17822 5366 1 8 . 1 1 129 129 ASN N N 129 119.092 119.092 118.935 0.157 17822 5367 1 8 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.316 0.348 17822 5368 1 8 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.147 -1.412 17822 5369 1 8 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.607 0.295 17822 5370 1 8 . 1 1 129 129 ASN H H 129 9.136 9.136 8.867 0.269 17822 5371 1 8 . 1 1 130 130 LYS N N 130 114.367 114.367 114.822 -0.455 17822 5372 1 8 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.328 -0.165 17822 5373 1 8 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.602 -1.376 17822 5374 1 8 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.700 0.392 17822 5375 1 8 . 1 1 130 130 LYS H H 130 7.115 7.115 7.063 0.052 17822 5376 1 8 . 1 1 131 131 PHE N N 131 121.117 121.117 122.134 -1.017 17822 5377 1 8 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.439 0.076 17822 5378 1 8 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.572 -2.422 17822 5379 1 8 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.810 -0.721 17822 5380 1 8 . 1 1 131 131 PHE H H 131 9.291 9.291 8.770 0.521 17822 5381 1 8 . 1 1 132 132 HIS N N 132 121.897 121.897 125.441 -3.544 17822 5382 1 8 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.870 -0.487 17822 5383 1 8 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.471 0.532 17822 5384 1 8 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.380 -2.037 17822 5385 1 8 . 1 1 132 132 HIS H H 132 9.026 9.026 8.468 0.558 17822 5386 1 8 . 1 1 133 133 THR N N 133 117.915 117.915 117.449 0.466 17822 5387 1 8 . 1 1 133 133 THR HA H 133 4.612 4.612 4.701 -0.089 17822 5388 1 8 . 1 1 133 133 THR CA C 133 61.679 61.679 61.716 -0.037 17822 5389 1 8 . 1 1 133 133 THR CB C 133 73.856 73.856 70.925 2.931 17822 5390 1 8 . 1 1 133 133 THR H H 133 8.700 8.700 8.462 0.238 17822 5391 1 8 . 1 1 134 134 GLU N N 134 129.072 129.072 127.742 1.330 17822 5392 1 8 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.205 -0.226 17822 5393 1 8 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.004 1.529 17822 5394 1 8 . 1 1 134 134 GLU CB C 134 27.503 27.503 30.040 -2.537 17822 5395 1 8 . 1 1 134 134 GLU H H 134 10.805 10.805 8.597 2.208 17822 5396 1 8 . 1 1 135 135 ALA N N 135 122.099 122.099 121.959 0.140 17822 5397 1 8 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.078 -0.007 17822 5398 1 8 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.896 -0.383 17822 5399 1 8 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.717 1.044 17822 5400 1 8 . 1 1 135 135 ALA H H 135 8.590 8.590 8.674 -0.084 17822 5401 1 8 . 1 1 136 136 LEU N N 136 116.720 116.720 117.539 -0.819 17822 5402 1 8 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.117 -0.063 17822 5403 1 8 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.624 -1.047 17822 5404 1 8 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.758 -0.447 17822 5405 1 8 . 1 1 136 136 LEU H H 136 7.471 7.471 7.653 -0.182 17822 5406 1 8 . 1 1 137 137 THR N N 137 117.177 117.177 113.396 3.781 17822 5407 1 8 . 1 1 137 137 THR HA H 137 4.005 4.005 4.019 -0.014 17822 5408 1 8 . 1 1 137 137 THR CA C 137 66.610 66.610 65.760 0.850 17822 5409 1 8 . 1 1 137 137 THR CB C 137 67.980 67.980 68.986 -1.006 17822 5410 1 8 . 1 1 137 137 THR H H 137 8.044 8.044 7.642 0.402 17822 5411 1 8 . 1 1 138 138 ALA N N 138 124.719 124.719 123.612 1.107 17822 5412 1 8 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.338 -0.337 17822 5413 1 8 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.509 0.405 17822 5414 1 8 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.569 -1.072 17822 5415 1 8 . 1 1 138 138 ALA H H 138 7.695 7.695 8.404 -0.709 17822 5416 1 8 . 1 1 139 139 LEU N N 139 120.059 120.059 120.180 -0.121 17822 5417 1 8 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.993 0.006 17822 5418 1 8 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.966 -0.472 17822 5419 1 8 . 1 1 139 139 LEU CB C 139 41.812 41.812 41.023 0.789 17822 5420 1 8 . 1 1 139 139 LEU H H 139 7.345 7.345 7.604 -0.259 17822 5421 1 8 . 1 1 140 140 LEU N N 140 117.771 117.771 117.847 -0.076 17822 5422 1 8 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.929 0.028 17822 5423 1 8 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.541 -1.563 17822 5424 1 8 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.373 -0.134 17822 5425 1 8 . 1 1 140 140 LEU H H 140 7.748 7.748 7.976 -0.228 17822 5426 1 8 . 1 1 141 141 SER N N 141 114.778 114.778 112.498 2.280 17822 5427 1 8 . 1 1 141 141 SER HA H 141 4.107 4.107 4.157 -0.050 17822 5428 1 8 . 1 1 141 141 SER CA C 141 60.647 60.647 60.829 -0.182 17822 5429 1 8 . 1 1 141 141 SER CB C 141 62.650 62.650 62.875 -0.225 17822 5430 1 8 . 1 1 141 141 SER H H 141 7.807 7.807 7.826 -0.019 17822 5431 1 8 . 1 1 142 142 ASP N N 142 121.827 121.827 122.192 -0.365 17822 5432 1 8 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.544 -0.186 17822 5433 1 8 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.315 -0.253 17822 5434 1 8 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.128 -0.519 17822 5435 1 8 . 1 1 142 142 ASP H H 142 7.878 7.878 7.843 0.035 17822 5436 1 8 . 1 1 143 143 LEU N N 143 120.220 120.220 119.865 0.355 17822 5437 1 8 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.224 -0.252 17822 5438 1 8 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.418 0.044 17822 5439 1 8 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.892 -0.678 17822 5440 1 8 . 1 1 143 143 LEU H H 143 7.846 7.846 8.171 -0.325 17822 5441 1 9 . 1 1 2 2 ALA N N 2 125.964 125.964 127.387 -1.423 17822 5442 1 9 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.702 -0.090 17822 5443 1 9 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.849 0.444 17822 5444 1 9 . 1 1 2 2 ALA H H 2 8.065 8.065 8.478 -0.413 17822 5445 1 9 . 1 1 3 3 ASP N N 3 119.188 119.188 121.348 -2.160 17822 5446 1 9 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.739 -0.129 17822 5447 1 9 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.668 -0.786 17822 5448 1 9 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.803 -0.993 17822 5449 1 9 . 1 1 3 3 ASP H H 3 8.203 8.203 8.903 -0.700 17822 5450 1 9 . 1 1 4 4 ASP N N 4 121.607 121.607 119.563 2.044 17822 5451 1 9 . 1 1 4 4 ASP HA H 4 4.372 4.372 5.092 -0.720 17822 5452 1 9 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.862 -0.101 17822 5453 1 9 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.659 -1.749 17822 5454 1 9 . 1 1 4 4 ASP H H 4 7.954 7.954 7.727 0.227 17822 5455 1 9 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.392 -0.140 17822 5456 1 9 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.652 -1.284 17822 5457 1 9 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.157 -0.298 17822 5458 1 9 . 1 1 6 6 SER N N 6 115.864 115.864 115.047 0.817 17822 5459 1 9 . 1 1 6 6 SER HA H 6 4.252 4.252 4.267 -0.015 17822 5460 1 9 . 1 1 6 6 SER CA C 6 58.870 58.870 60.184 -1.314 17822 5461 1 9 . 1 1 6 6 SER CB C 6 63.368 63.368 62.752 0.617 17822 5462 1 9 . 1 1 6 6 SER H H 6 8.310 8.310 8.470 -0.160 17822 5463 1 9 . 1 1 7 7 ALA N N 7 125.955 125.955 123.535 2.420 17822 5464 1 9 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.163 -0.164 17822 5465 1 9 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.173 -0.864 17822 5466 1 9 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.001 0.550 17822 5467 1 9 . 1 1 7 7 ALA H H 7 7.854 7.854 7.484 0.370 17822 5468 1 9 . 1 1 8 8 ALA N N 8 122.354 122.354 121.825 0.529 17822 5469 1 9 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.023 -0.226 17822 5470 1 9 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.104 -1.509 17822 5471 1 9 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.442 0.010 17822 5472 1 9 . 1 1 8 8 ALA H H 8 7.910 7.910 7.935 -0.025 17822 5473 1 9 . 1 1 9 9 ASP N N 9 119.431 119.431 117.267 2.164 17822 5474 1 9 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.454 -0.135 17822 5475 1 9 . 1 1 9 9 ASP CA C 9 55.143 55.143 56.904 -1.761 17822 5476 1 9 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.370 0.253 17822 5477 1 9 . 1 1 9 9 ASP H H 9 7.970 7.970 7.920 0.050 17822 5478 1 9 . 1 1 10 10 ARG N N 10 122.263 122.263 120.831 1.432 17822 5479 1 9 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.396 -0.560 17822 5480 1 9 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.619 -0.838 17822 5481 1 9 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.432 -0.551 17822 5482 1 9 . 1 1 10 10 ARG H H 10 8.036 8.036 8.054 -0.018 17822 5483 1 9 . 1 1 11 11 ASN N N 11 118.325 118.325 117.732 0.593 17822 5484 1 9 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.471 -0.168 17822 5485 1 9 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.978 -0.835 17822 5486 1 9 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.299 -0.497 17822 5487 1 9 . 1 1 11 11 ASN H H 11 8.077 8.077 7.746 0.331 17822 5488 1 9 . 1 1 12 12 VAL N N 12 122.103 122.103 120.787 1.316 17822 5489 1 9 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.694 0.921 17822 5490 1 9 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.171 -0.550 17822 5491 1 9 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.120 0.366 17822 5492 1 9 . 1 1 12 12 VAL H H 12 7.741 7.741 7.795 -0.054 17822 5493 1 9 . 1 1 13 13 GLU N N 13 120.785 120.785 119.563 1.222 17822 5494 1 9 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.936 -0.702 17822 5495 1 9 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.317 5.744 17822 5496 1 9 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.981 0.787 17822 5497 1 9 . 1 1 13 13 GLU H H 13 7.751 7.751 7.654 0.097 17822 5498 1 9 . 1 1 14 14 ILE N N 14 120.199 120.199 120.179 0.020 17822 5499 1 9 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.385 0.403 17822 5500 1 9 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.540 -5.358 17822 5501 1 9 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.285 -1.291 17822 5502 1 9 . 1 1 14 14 ILE H H 14 7.650 7.650 7.153 0.497 17822 5503 1 9 . 1 1 15 15 TRP N N 15 120.828 120.828 117.533 3.295 17822 5504 1 9 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.611 -0.558 17822 5505 1 9 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.591 2.999 17822 5506 1 9 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.700 -0.256 17822 5507 1 9 . 1 1 15 15 TRP H H 15 7.759 7.759 7.114 0.645 17822 5508 1 9 . 1 1 16 16 LYS N N 16 119.063 119.063 122.125 -3.062 17822 5509 1 9 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.172 -0.682 17822 5510 1 9 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.109 1.860 17822 5511 1 9 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.905 0.273 17822 5512 1 9 . 1 1 16 16 LYS H H 16 7.963 7.963 7.753 0.210 17822 5513 1 9 . 1 1 17 17 ILE N N 17 120.609 120.609 119.587 1.022 17822 5514 1 9 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.888 -0.277 17822 5515 1 9 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.125 -0.669 17822 5516 1 9 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.605 -1.307 17822 5517 1 9 . 1 1 17 17 ILE H H 17 7.630 7.630 8.468 -0.838 17822 5518 1 9 . 1 1 18 18 LYS N N 18 121.687 121.687 119.177 2.510 17822 5519 1 9 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.033 -0.450 17822 5520 1 9 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.488 1.442 17822 5521 1 9 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.542 0.540 17822 5522 1 9 . 1 1 18 18 LYS H H 18 8.297 8.297 7.789 0.508 17822 5523 1 9 . 1 1 19 19 LYS N N 19 119.253 119.253 118.367 0.886 17822 5524 1 9 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.128 -0.511 17822 5525 1 9 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.436 0.549 17822 5526 1 9 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.258 -0.400 17822 5527 1 9 . 1 1 19 19 LYS H H 19 7.685 7.685 7.683 0.002 17822 5528 1 9 . 1 1 20 20 LEU N N 20 123.001 123.001 122.181 0.820 17822 5529 1 9 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.957 -0.132 17822 5530 1 9 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.761 0.020 17822 5531 1 9 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.074 -0.663 17822 5532 1 9 . 1 1 20 20 LEU H H 20 7.509 7.509 7.336 0.173 17822 5533 1 9 . 1 1 21 21 ILE N N 21 119.392 119.392 118.704 0.688 17822 5534 1 9 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.672 -0.602 17822 5535 1 9 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.697 2.798 17822 5536 1 9 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.139 1.064 17822 5537 1 9 . 1 1 21 21 ILE H H 21 8.474 8.474 8.038 0.436 17822 5538 1 9 . 1 1 22 22 LYS N N 22 117.524 117.524 118.329 -0.805 17822 5539 1 9 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.097 -0.291 17822 5540 1 9 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.968 -0.155 17822 5541 1 9 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.173 -0.286 17822 5542 1 9 . 1 1 22 22 LYS H H 22 7.300 7.300 7.533 -0.233 17822 5543 1 9 . 1 1 23 23 SER N N 23 114.880 114.880 114.302 0.578 17822 5544 1 9 . 1 1 23 23 SER HA H 23 4.008 4.008 4.332 -0.324 17822 5545 1 9 . 1 1 23 23 SER CA C 23 61.106 61.106 60.341 0.765 17822 5546 1 9 . 1 1 23 23 SER CB C 23 62.587 62.587 63.449 -0.862 17822 5547 1 9 . 1 1 23 23 SER H H 23 7.653 7.653 7.249 0.404 17822 5548 1 9 . 1 1 24 24 LEU N N 24 121.607 121.607 122.115 -0.508 17822 5549 1 9 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.440 0.432 17822 5550 1 9 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.865 -1.002 17822 5551 1 9 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.229 0.060 17822 5552 1 9 . 1 1 24 24 LEU H H 24 8.158 8.158 8.509 -0.351 17822 5553 1 9 . 1 1 25 25 GLU N N 25 119.392 119.392 117.719 1.673 17822 5554 1 9 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.174 -0.293 17822 5555 1 9 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.773 -0.190 17822 5556 1 9 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.393 -0.213 17822 5557 1 9 . 1 1 25 25 GLU H H 25 8.344 8.344 7.775 0.569 17822 5558 1 9 . 1 1 26 26 ALA N N 26 119.228 119.228 120.274 -1.046 17822 5559 1 9 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.366 -0.249 17822 5560 1 9 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.960 0.030 17822 5561 1 9 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.429 -0.476 17822 5562 1 9 . 1 1 26 26 ALA H H 26 7.154 7.154 7.433 -0.279 17822 5563 1 9 . 1 1 27 27 ALA N N 27 121.417 121.417 123.238 -1.821 17822 5564 1 9 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.240 -0.170 17822 5565 1 9 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.149 -0.681 17822 5566 1 9 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.377 -0.074 17822 5567 1 9 . 1 1 27 27 ALA H H 27 6.833 6.833 7.670 -0.837 17822 5568 1 9 . 1 1 28 28 ARG N N 28 123.986 123.986 123.634 0.352 17822 5569 1 9 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.621 -0.125 17822 5570 1 9 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.069 -0.900 17822 5571 1 9 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.788 0.173 17822 5572 1 9 . 1 1 28 28 ARG H H 28 8.679 8.679 7.934 0.745 17822 5573 1 9 . 1 1 29 29 GLY N N 29 109.466 109.466 107.867 1.599 17822 5574 1 9 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.452 -0.063 17822 5575 1 9 . 1 1 29 29 GLY H H 29 8.091 8.091 8.143 -0.052 17822 5576 1 9 . 1 1 30 30 ASN N N 30 120.048 120.048 115.735 4.313 17822 5577 1 9 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.650 0.005 17822 5578 1 9 . 1 1 30 30 ASN CA C 30 51.629 51.629 52.946 -1.317 17822 5579 1 9 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.183 -1.381 17822 5580 1 9 . 1 1 30 30 ASN H H 30 8.419 8.419 8.463 -0.044 17822 5581 1 9 . 1 1 31 31 GLY N N 31 110.450 110.450 105.869 4.581 17822 5582 1 9 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.484 -0.798 17822 5583 1 9 . 1 1 31 31 GLY H H 31 8.071 8.071 8.600 -0.529 17822 5584 1 9 . 1 1 32 32 THR N N 32 112.929 112.929 114.817 -1.888 17822 5585 1 9 . 1 1 32 32 THR HA H 32 4.993 4.993 4.591 0.402 17822 5586 1 9 . 1 1 32 32 THR CA C 32 59.598 59.598 59.965 -0.367 17822 5587 1 9 . 1 1 32 32 THR H H 32 7.747 7.747 7.716 0.031 17822 5588 1 9 . 1 1 33 33 SER N N 33 115.208 115.208 115.970 -0.762 17822 5589 1 9 . 1 1 33 33 SER HA H 33 4.335 4.335 4.783 -0.448 17822 5590 1 9 . 1 1 33 33 SER CA C 33 58.067 58.067 57.338 0.729 17822 5591 1 9 . 1 1 33 33 SER CB C 33 64.572 64.572 64.618 -0.046 17822 5592 1 9 . 1 1 33 33 SER H H 33 7.701 7.701 8.629 -0.928 17822 5593 1 9 . 1 1 34 34 MET N N 34 120.869 120.869 123.626 -2.757 17822 5594 1 9 . 1 1 34 34 MET HA H 34 4.666 4.666 4.743 -0.077 17822 5595 1 9 . 1 1 34 34 MET CA C 34 54.799 54.799 54.481 0.318 17822 5596 1 9 . 1 1 34 34 MET CB C 34 34.700 34.700 34.369 0.331 17822 5597 1 9 . 1 1 34 34 MET H H 34 8.679 8.679 8.383 0.296 17822 5598 1 9 . 1 1 35 35 ILE N N 35 126.806 126.806 121.198 5.608 17822 5599 1 9 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.074 2.096 17822 5600 1 9 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.717 0.185 17822 5601 1 9 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.795 -1.122 17822 5602 1 9 . 1 1 35 35 ILE H H 35 9.562 9.562 8.355 1.207 17822 5603 1 9 . 1 1 36 36 SER N N 36 122.217 122.217 123.274 -1.057 17822 5604 1 9 . 1 1 36 36 SER HA H 36 4.968 4.968 5.057 -0.089 17822 5605 1 9 . 1 1 36 36 SER CA C 36 56.602 56.602 56.890 -0.288 17822 5606 1 9 . 1 1 36 36 SER CB C 36 64.572 64.572 64.321 0.251 17822 5607 1 9 . 1 1 36 36 SER H H 36 8.422 8.422 8.050 0.372 17822 5608 1 9 . 1 1 37 37 LEU N N 37 128.938 128.938 123.791 5.147 17822 5609 1 9 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.887 0.094 17822 5610 1 9 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.805 0.676 17822 5611 1 9 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.241 0.135 17822 5612 1 9 . 1 1 37 37 LEU H H 37 8.916 8.916 7.607 1.308 17822 5613 1 9 . 1 1 38 38 ILE N N 38 128.296 128.296 115.768 12.528 17822 5614 1 9 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.960 0.012 17822 5615 1 9 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.742 0.103 17822 5616 1 9 . 1 1 38 38 ILE CB C 38 39.005 39.005 40.921 -1.916 17822 5617 1 9 . 1 1 38 38 ILE H H 38 8.740 8.740 8.487 0.253 17822 5618 1 9 . 1 1 39 39 ILE N N 39 125.429 125.429 124.331 1.098 17822 5619 1 9 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.602 -0.203 17822 5620 1 9 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.603 -0.880 17822 5621 1 9 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.533 2.128 17822 5622 1 9 . 1 1 39 39 ILE H H 39 8.960 8.960 8.201 0.759 17822 5623 1 9 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.781 -0.374 17822 5624 1 9 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.642 5.540 17822 5625 1 9 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.048 0.324 17822 5626 1 9 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.493 -0.672 17822 5627 1 9 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.570 3.245 17822 5628 1 9 . 1 1 41 41 PRO CB C 41 32.177 32.177 32.059 0.118 17822 5629 1 9 . 1 1 42 42 LYS N N 42 113.683 113.683 115.323 -1.640 17822 5630 1 9 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.271 -0.315 17822 5631 1 9 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.232 0.574 17822 5632 1 9 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.731 -1.549 17822 5633 1 9 . 1 1 42 42 LYS H H 42 8.004 8.004 8.469 -0.465 17822 5634 1 9 . 1 1 43 43 ASP N N 43 121.628 121.628 119.670 1.958 17822 5635 1 9 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.852 -0.417 17822 5636 1 9 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.086 -0.580 17822 5637 1 9 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.555 -1.340 17822 5638 1 9 . 1 1 43 43 ASP H H 43 7.290 7.290 7.361 -0.071 17822 5639 1 9 . 1 1 44 44 GLN N N 44 117.587 117.587 118.385 -0.798 17822 5640 1 9 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.570 -0.033 17822 5641 1 9 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.632 -0.693 17822 5642 1 9 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.297 0.247 17822 5643 1 9 . 1 1 44 44 GLN H H 44 9.610 9.610 8.489 1.121 17822 5644 1 9 . 1 1 45 45 ILE N N 45 126.939 126.939 124.025 2.914 17822 5645 1 9 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.701 -0.400 17822 5646 1 9 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.340 -1.056 17822 5647 1 9 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.625 -1.992 17822 5648 1 9 . 1 1 45 45 ILE H H 45 8.806 8.806 8.828 -0.022 17822 5649 1 9 . 1 1 46 46 SER N N 46 113.239 113.239 115.180 -1.941 17822 5650 1 9 . 1 1 46 46 SER HA H 46 3.931 3.931 4.234 -0.303 17822 5651 1 9 . 1 1 46 46 SER CA C 46 60.762 60.762 61.344 -0.582 17822 5652 1 9 . 1 1 46 46 SER CB C 46 61.464 61.464 62.536 -1.073 17822 5653 1 9 . 1 1 46 46 SER H H 46 8.476 8.476 8.328 0.148 17822 5654 1 9 . 1 1 47 47 ARG N N 47 124.530 124.530 122.119 2.411 17822 5655 1 9 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.051 -0.260 17822 5656 1 9 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.986 -0.059 17822 5657 1 9 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.856 0.727 17822 5658 1 9 . 1 1 47 47 ARG H H 47 6.731 6.731 7.574 -0.843 17822 5659 1 9 . 1 1 48 48 VAL N N 48 121.935 121.935 118.158 3.777 17822 5660 1 9 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.929 -0.782 17822 5661 1 9 . 1 1 48 48 VAL CA C 48 66.208 66.208 65.279 0.929 17822 5662 1 9 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.629 -0.161 17822 5663 1 9 . 1 1 48 48 VAL H H 48 7.257 7.257 7.379 -0.122 17822 5664 1 9 . 1 1 49 49 ALA N N 49 122.345 122.345 122.200 0.145 17822 5665 1 9 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.100 -0.218 17822 5666 1 9 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.956 0.187 17822 5667 1 9 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.585 -0.935 17822 5668 1 9 . 1 1 49 49 ALA H H 49 8.864 8.864 7.800 1.064 17822 5669 1 9 . 1 1 50 50 LYS N N 50 120.376 120.376 118.657 1.719 17822 5670 1 9 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.127 -0.224 17822 5671 1 9 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.863 0.064 17822 5672 1 9 . 1 1 50 50 LYS CB C 50 31.586 31.586 31.985 -0.399 17822 5673 1 9 . 1 1 50 50 LYS H H 50 7.380 7.380 8.392 -1.012 17822 5674 1 9 . 1 1 51 51 MET N N 51 121.641 121.641 118.380 3.261 17822 5675 1 9 . 1 1 51 51 MET HA H 51 3.935 3.935 4.225 -0.290 17822 5676 1 9 . 1 1 51 51 MET CA C 51 58.927 58.927 58.339 0.588 17822 5677 1 9 . 1 1 51 51 MET CB C 51 30.734 30.734 32.315 -1.581 17822 5678 1 9 . 1 1 51 51 MET H H 51 7.508 7.508 7.539 -0.031 17822 5679 1 9 . 1 1 52 52 LEU N N 52 120.125 120.125 120.176 -0.051 17822 5680 1 9 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.313 -0.656 17822 5681 1 9 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.735 0.702 17822 5682 1 9 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.955 -0.401 17822 5683 1 9 . 1 1 52 52 LEU H H 52 8.203 8.203 7.809 0.394 17822 5684 1 9 . 1 1 53 53 ALA N N 53 123.639 123.639 122.382 1.257 17822 5685 1 9 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.863 0.082 17822 5686 1 9 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.477 -0.678 17822 5687 1 9 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.880 -0.631 17822 5688 1 9 . 1 1 53 53 ALA H H 53 7.775 7.775 7.618 0.157 17822 5689 1 9 . 1 1 54 54 ASP N N 54 123.165 123.165 117.870 5.295 17822 5690 1 9 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.406 -0.077 17822 5691 1 9 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.220 -0.013 17822 5692 1 9 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.998 -1.893 17822 5693 1 9 . 1 1 54 54 ASP H H 54 8.156 8.156 7.733 0.423 17822 5694 1 9 . 1 1 55 55 GLU N N 55 122.017 122.017 119.379 2.638 17822 5695 1 9 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.035 -0.159 17822 5696 1 9 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.933 -0.350 17822 5697 1 9 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.402 -0.383 17822 5698 1 9 . 1 1 55 55 GLU H H 55 8.221 8.221 7.651 0.570 17822 5699 1 9 . 1 1 56 56 PHE N N 56 123.334 123.334 121.506 1.828 17822 5700 1 9 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.222 0.459 17822 5701 1 9 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.399 0.116 17822 5702 1 9 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.862 0.350 17822 5703 1 9 . 1 1 56 56 PHE H H 56 8.711 8.711 8.162 0.549 17822 5704 1 9 . 1 1 57 57 GLY N N 57 107.156 107.156 105.320 1.836 17822 5705 1 9 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.468 0.015 17822 5706 1 9 . 1 1 57 57 GLY H H 57 7.985 7.985 8.052 -0.067 17822 5707 1 9 . 1 1 58 58 THR N N 58 118.940 118.940 117.296 1.644 17822 5708 1 9 . 1 1 58 58 THR HA H 58 4.062 4.062 4.175 -0.113 17822 5709 1 9 . 1 1 58 58 THR CA C 58 65.406 65.406 66.008 -0.602 17822 5710 1 9 . 1 1 58 58 THR CB C 58 68.408 68.408 68.912 -0.504 17822 5711 1 9 . 1 1 58 58 THR H H 58 7.992 7.992 7.728 0.264 17822 5712 1 9 . 1 1 59 59 ALA N N 59 126.365 126.365 124.248 2.117 17822 5713 1 9 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.213 -0.285 17822 5714 1 9 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.623 -0.684 17822 5715 1 9 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.811 0.340 17822 5716 1 9 . 1 1 59 59 ALA H H 59 8.351 8.351 7.787 0.564 17822 5717 1 9 . 1 1 60 60 SER N N 60 112.435 112.435 112.877 -0.442 17822 5718 1 9 . 1 1 60 60 SER HA H 60 4.632 4.632 4.174 0.458 17822 5719 1 9 . 1 1 60 60 SER CA C 60 61.220 61.220 59.843 1.377 17822 5720 1 9 . 1 1 60 60 SER CB C 60 62.686 62.686 62.533 0.153 17822 5721 1 9 . 1 1 60 60 SER H H 60 7.459 7.459 7.725 -0.266 17822 5722 1 9 . 1 1 61 61 ASN N N 61 116.971 116.971 119.683 -2.712 17822 5723 1 9 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.632 -0.119 17822 5724 1 9 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.376 -0.354 17822 5725 1 9 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.116 -0.111 17822 5726 1 9 . 1 1 61 61 ASN H H 61 7.372 7.372 7.434 -0.062 17822 5727 1 9 . 1 1 62 62 ILE N N 62 123.980 123.980 121.692 2.288 17822 5728 1 9 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.848 -0.212 17822 5729 1 9 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.369 1.059 17822 5730 1 9 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.983 -0.553 17822 5731 1 9 . 1 1 62 62 ILE H H 62 7.461 7.461 7.361 0.100 17822 5732 1 9 . 1 1 63 63 LYS N N 63 128.982 128.982 125.422 3.560 17822 5733 1 9 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.107 -0.310 17822 5734 1 9 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.956 0.742 17822 5735 1 9 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.602 0.104 17822 5736 1 9 . 1 1 63 63 LYS H H 63 8.417 8.417 8.308 0.109 17822 5737 1 9 . 1 1 64 64 SER N N 64 114.306 114.306 118.293 -3.987 17822 5738 1 9 . 1 1 64 64 SER HA H 64 4.616 4.616 4.540 0.076 17822 5739 1 9 . 1 1 64 64 SER CA C 64 56.749 56.749 57.822 -1.073 17822 5740 1 9 . 1 1 64 64 SER CB C 64 62.962 62.962 63.408 -0.446 17822 5741 1 9 . 1 1 64 64 SER H H 64 7.599 7.599 8.044 -0.445 17822 5742 1 9 . 1 1 65 65 ARG N N 65 132.125 132.125 128.508 3.617 17822 5743 1 9 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.916 0.390 17822 5744 1 9 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.736 0.166 17822 5745 1 9 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.855 3.243 17822 5746 1 9 . 1 1 65 65 ARG H H 65 8.689 8.689 8.758 -0.069 17822 5747 1 9 . 1 1 66 66 VAL N N 66 116.947 116.947 118.867 -1.920 17822 5748 1 9 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.560 -0.009 17822 5749 1 9 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.785 -1.322 17822 5750 1 9 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.270 0.316 17822 5751 1 9 . 1 1 66 66 VAL H H 66 7.946 7.946 8.241 -0.295 17822 5752 1 9 . 1 1 67 67 ASN N N 67 119.499 119.499 116.927 2.572 17822 5753 1 9 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.338 0.074 17822 5754 1 9 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.056 -0.683 17822 5755 1 9 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.236 -0.200 17822 5756 1 9 . 1 1 67 67 ASN H H 67 7.386 7.386 7.728 -0.342 17822 5757 1 9 . 1 1 68 68 ARG N N 68 122.132 122.132 121.655 0.477 17822 5758 1 9 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.903 -0.309 17822 5759 1 9 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.331 0.467 17822 5760 1 9 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.026 0.533 17822 5761 1 9 . 1 1 68 68 ARG H H 68 8.566 8.566 7.640 0.926 17822 5762 1 9 . 1 1 69 69 LEU N N 69 116.564 116.564 119.216 -2.652 17822 5763 1 9 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.075 -0.292 17822 5764 1 9 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.944 -0.049 17822 5765 1 9 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.614 -0.005 17822 5766 1 9 . 1 1 69 69 LEU H H 69 8.167 8.167 8.643 -0.476 17822 5767 1 9 . 1 1 70 70 SER N N 70 116.805 116.805 113.044 3.761 17822 5768 1 9 . 1 1 70 70 SER HA H 70 4.132 4.132 4.232 -0.100 17822 5769 1 9 . 1 1 70 70 SER CA C 70 61.450 61.450 61.354 0.096 17822 5770 1 9 . 1 1 70 70 SER CB C 70 62.635 62.635 62.885 -0.249 17822 5771 1 9 . 1 1 70 70 SER H H 70 7.589 7.589 7.614 -0.025 17822 5772 1 9 . 1 1 71 71 VAL N N 71 124.991 124.991 121.363 3.628 17822 5773 1 9 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.853 -0.370 17822 5774 1 9 . 1 1 71 71 VAL CA C 71 66.839 66.839 66.168 0.670 17822 5775 1 9 . 1 1 71 71 VAL CB C 71 31.649 31.649 32.024 -0.375 17822 5776 1 9 . 1 1 71 71 VAL H H 71 7.934 7.934 8.039 -0.105 17822 5777 1 9 . 1 1 72 72 LEU N N 72 118.680 118.680 119.888 -1.208 17822 5778 1 9 . 1 1 72 72 LEU HA H 72 3.721 3.721 3.927 -0.206 17822 5779 1 9 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.311 -0.072 17822 5780 1 9 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.661 -0.363 17822 5781 1 9 . 1 1 72 72 LEU H H 72 8.354 8.354 8.613 -0.259 17822 5782 1 9 . 1 1 73 73 GLY N N 73 106.674 106.674 105.558 1.116 17822 5783 1 9 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.755 0.190 17822 5784 1 9 . 1 1 73 73 GLY H H 73 8.052 8.052 8.265 -0.213 17822 5785 1 9 . 1 1 74 74 ALA N N 74 127.313 127.313 125.055 2.258 17822 5786 1 9 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.212 -0.059 17822 5787 1 9 . 1 1 74 74 ALA CA C 74 55.373 55.373 53.981 1.392 17822 5788 1 9 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.592 -0.786 17822 5789 1 9 . 1 1 74 74 ALA H H 74 7.784 7.784 7.434 0.350 17822 5790 1 9 . 1 1 75 75 ILE N N 75 119.310 119.310 119.057 0.253 17822 5791 1 9 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.697 -0.335 17822 5792 1 9 . 1 1 75 75 ILE CA C 75 66.610 66.610 66.039 0.571 17822 5793 1 9 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.087 0.337 17822 5794 1 9 . 1 1 75 75 ILE H H 75 8.638 8.638 8.804 -0.166 17822 5795 1 9 . 1 1 76 76 THR N N 76 116.205 116.205 112.765 3.440 17822 5796 1 9 . 1 1 76 76 THR HA H 76 4.227 4.227 3.970 0.257 17822 5797 1 9 . 1 1 76 76 THR CA C 76 66.782 66.782 66.156 0.626 17822 5798 1 9 . 1 1 76 76 THR CB C 76 68.478 68.478 67.927 0.551 17822 5799 1 9 . 1 1 76 76 THR H H 76 8.317 8.317 7.925 0.392 17822 5800 1 9 . 1 1 77 77 SER N N 77 118.405 118.405 117.767 0.638 17822 5801 1 9 . 1 1 77 77 SER HA H 77 4.173 4.173 4.257 -0.084 17822 5802 1 9 . 1 1 77 77 SER CA C 77 62.482 62.482 61.284 1.198 17822 5803 1 9 . 1 1 77 77 SER CB C 77 63.484 63.484 62.922 0.562 17822 5804 1 9 . 1 1 77 77 SER H H 77 7.843 7.843 7.609 0.234 17822 5805 1 9 . 1 1 78 78 VAL N N 78 124.171 124.171 121.438 2.733 17822 5806 1 9 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.826 -0.253 17822 5807 1 9 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.729 0.995 17822 5808 1 9 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.933 -0.949 17822 5809 1 9 . 1 1 78 78 VAL H H 78 8.153 8.153 7.828 0.325 17822 5810 1 9 . 1 1 79 79 GLN N N 79 120.008 120.008 119.396 0.612 17822 5811 1 9 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.876 0.053 17822 5812 1 9 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.846 -0.460 17822 5813 1 9 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.474 0.305 17822 5814 1 9 . 1 1 79 79 GLN H H 79 8.688 8.688 8.677 0.011 17822 5815 1 9 . 1 1 80 80 GLN N N 80 116.870 116.870 117.001 -0.131 17822 5816 1 9 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.101 -0.326 17822 5817 1 9 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.611 -0.085 17822 5818 1 9 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.569 -0.592 17822 5819 1 9 . 1 1 80 80 GLN H H 80 7.850 7.850 7.763 0.087 17822 5820 1 9 . 1 1 81 81 ARG N N 81 119.074 119.074 119.482 -0.408 17822 5821 1 9 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.174 -0.182 17822 5822 1 9 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.521 -1.887 17822 5823 1 9 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.508 -2.186 17822 5824 1 9 . 1 1 81 81 ARG H H 81 7.520 7.520 7.708 -0.188 17822 5825 1 9 . 1 1 82 82 LEU N N 82 117.238 117.238 120.246 -3.008 17822 5826 1 9 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.203 -0.312 17822 5827 1 9 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.335 -0.898 17822 5828 1 9 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.334 -0.524 17822 5829 1 9 . 1 1 82 82 LEU H H 82 8.189 8.189 8.213 -0.024 17822 5830 1 9 . 1 1 83 83 LYS N N 83 114.899 114.899 119.374 -4.475 17822 5831 1 9 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.091 -0.146 17822 5832 1 9 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.127 -1.461 17822 5833 1 9 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.025 -0.038 17822 5834 1 9 . 1 1 83 83 LYS H H 83 7.064 7.064 7.676 -0.612 17822 5835 1 9 . 1 1 84 84 LEU N N 84 117.840 117.840 118.830 -0.990 17822 5836 1 9 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.030 -0.157 17822 5837 1 9 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.944 -1.629 17822 5838 1 9 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.814 -0.885 17822 5839 1 9 . 1 1 84 84 LEU H H 84 7.271 7.271 7.769 -0.498 17822 5840 1 9 . 1 1 85 85 TYR N N 85 119.720 119.720 115.468 4.252 17822 5841 1 9 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.347 -0.092 17822 5842 1 9 . 1 1 85 85 TYR CA C 85 58.067 58.067 58.999 -0.932 17822 5843 1 9 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.890 0.178 17822 5844 1 9 . 1 1 85 85 TYR H H 85 7.633 7.633 7.416 0.217 17822 5845 1 9 . 1 1 86 86 ASN N N 86 119.638 119.638 116.467 3.171 17822 5846 1 9 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.429 0.045 17822 5847 1 9 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.235 -0.353 17822 5848 1 9 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.428 0.314 17822 5849 1 9 . 1 1 86 86 ASN H H 86 8.622 8.622 8.430 0.192 17822 5850 1 9 . 1 1 87 87 LYS N N 87 116.321 116.321 118.286 -1.965 17822 5851 1 9 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.456 0.042 17822 5852 1 9 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.731 -0.562 17822 5853 1 9 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.531 -0.858 17822 5854 1 9 . 1 1 87 87 LYS H H 87 7.631 7.631 7.879 -0.248 17822 5855 1 9 . 1 1 88 88 VAL N N 88 125.141 125.141 118.992 6.149 17822 5856 1 9 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.526 -0.904 17822 5857 1 9 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.878 3.088 17822 5858 1 9 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.915 1.373 17822 5859 1 9 . 1 1 88 88 VAL H H 88 8.357 8.357 8.438 -0.081 17822 5860 1 9 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.684 -0.431 17822 5861 1 9 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.431 1.909 17822 5862 1 9 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.765 0.789 17822 5863 1 9 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.223 0.277 17822 5864 1 9 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.256 0.723 17822 5865 1 9 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.013 0.175 17822 5866 1 9 . 1 1 91 91 ASN N N 91 112.735 112.735 115.902 -3.167 17822 5867 1 9 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.509 0.146 17822 5868 1 9 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.413 -1.538 17822 5869 1 9 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.772 -0.329 17822 5870 1 9 . 1 1 91 91 ASN H H 91 9.163 9.163 8.421 0.742 17822 5871 1 9 . 1 1 92 92 GLY N N 92 108.893 108.893 106.360 2.533 17822 5872 1 9 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.789 -1.348 17822 5873 1 9 . 1 1 92 92 GLY H H 92 7.898 7.898 7.088 0.810 17822 5874 1 9 . 1 1 93 93 LEU N N 93 117.751 117.751 126.437 -8.686 17822 5875 1 9 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.188 0.136 17822 5876 1 9 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.335 -0.568 17822 5877 1 9 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.046 5.481 17822 5878 1 9 . 1 1 93 93 LEU H H 93 8.508 8.508 7.676 0.832 17822 5879 1 9 . 1 1 94 94 VAL N N 94 126.296 126.296 128.539 -2.243 17822 5880 1 9 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.704 -0.354 17822 5881 1 9 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.493 -1.018 17822 5882 1 9 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.894 -0.726 17822 5883 1 9 . 1 1 94 94 VAL H H 94 8.168 8.168 7.975 0.193 17822 5884 1 9 . 1 1 95 95 VAL N N 95 125.531 125.531 119.047 6.484 17822 5885 1 9 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.182 -1.042 17822 5886 1 9 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.141 1.162 17822 5887 1 9 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.331 0.864 17822 5888 1 9 . 1 1 95 95 VAL H H 95 8.744 8.744 8.146 0.598 17822 5889 1 9 . 1 1 96 96 TYR N N 96 123.577 123.577 123.675 -0.098 17822 5890 1 9 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.604 -0.272 17822 5891 1 9 . 1 1 96 96 TYR CA C 96 56.577 56.577 56.119 0.458 17822 5892 1 9 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.891 -1.271 17822 5893 1 9 . 1 1 96 96 TYR H H 96 8.698 8.698 9.316 -0.618 17822 5894 1 9 . 1 1 97 97 CYS N N 97 120.144 120.144 122.825 -2.681 17822 5895 1 9 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.758 -0.210 17822 5896 1 9 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.507 -0.930 17822 5897 1 9 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.502 1.284 17822 5898 1 9 . 1 1 97 97 CYS H H 97 8.796 8.796 8.387 0.409 17822 5899 1 9 . 1 1 98 98 GLY N N 98 112.534 112.534 114.930 -2.396 17822 5900 1 9 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.131 0.667 17822 5901 1 9 . 1 1 98 98 GLY H H 98 8.776 8.776 8.354 0.422 17822 5902 1 9 . 1 1 99 99 THR N N 99 119.083 119.083 116.553 2.530 17822 5903 1 9 . 1 1 99 99 THR HA H 99 4.821 4.821 5.258 -0.437 17822 5904 1 9 . 1 1 99 99 THR CA C 99 62.294 62.294 61.869 0.425 17822 5905 1 9 . 1 1 99 99 THR CB C 99 69.781 69.781 69.752 0.029 17822 5906 1 9 . 1 1 99 99 THR H H 99 8.168 8.168 8.493 -0.325 17822 5907 1 9 . 1 1 100 100 ILE N N 100 122.250 122.250 123.362 -1.112 17822 5908 1 9 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.662 -0.085 17822 5909 1 9 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.830 -0.247 17822 5910 1 9 . 1 1 100 100 ILE CB C 100 40.509 40.509 39.494 1.015 17822 5911 1 9 . 1 1 100 100 ILE H H 100 8.838 8.838 8.342 0.496 17822 5912 1 9 . 1 1 101 101 VAL N N 101 120.622 120.622 124.072 -3.450 17822 5913 1 9 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.796 -0.146 17822 5914 1 9 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.438 1.152 17822 5915 1 9 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.457 -1.568 17822 5916 1 9 . 1 1 101 101 VAL H H 101 8.310 8.310 8.365 -0.055 17822 5917 1 9 . 1 1 102 102 THR N N 102 118.661 118.661 120.316 -1.655 17822 5918 1 9 . 1 1 102 102 THR HA H 102 4.658 4.658 4.695 -0.037 17822 5919 1 9 . 1 1 102 102 THR CA C 102 60.590 60.590 60.077 0.513 17822 5920 1 9 . 1 1 102 102 THR CB C 102 71.189 71.189 70.221 0.968 17822 5921 1 9 . 1 1 102 102 THR H H 102 8.867 8.867 8.123 0.744 17822 5922 1 9 . 1 1 103 103 GLU N N 103 121.906 121.906 120.869 1.037 17822 5923 1 9 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.045 -0.127 17822 5924 1 9 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.816 0.112 17822 5925 1 9 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.229 -0.299 17822 5926 1 9 . 1 1 103 103 GLU H H 103 9.243 9.243 8.806 0.437 17822 5927 1 9 . 1 1 104 104 GLU N N 104 116.013 116.013 118.949 -2.936 17822 5928 1 9 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.150 0.024 17822 5929 1 9 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.078 0.156 17822 5930 1 9 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.138 0.329 17822 5931 1 9 . 1 1 104 104 GLU H H 104 7.716 7.716 7.773 -0.057 17822 5932 1 9 . 1 1 105 105 GLY N N 105 109.001 109.001 107.674 1.327 17822 5933 1 9 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.313 -0.608 17822 5934 1 9 . 1 1 105 105 GLY H H 105 8.045 8.045 8.099 -0.054 17822 5935 1 9 . 1 1 106 106 LYS N N 106 119.559 119.559 119.007 0.552 17822 5936 1 9 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.645 -0.314 17822 5937 1 9 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.537 -0.082 17822 5938 1 9 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.394 0.028 17822 5939 1 9 . 1 1 106 106 LYS H H 106 6.924 6.924 7.537 -0.613 17822 5940 1 9 . 1 1 107 107 GLU N N 107 121.771 121.771 125.087 -3.316 17822 5941 1 9 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.357 0.597 17822 5942 1 9 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.349 -0.747 17822 5943 1 9 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.516 0.769 17822 5944 1 9 . 1 1 107 107 GLU H H 107 8.371 8.371 8.686 -0.315 17822 5945 1 9 . 1 1 108 108 LYS N N 108 125.216 125.216 121.285 3.931 17822 5946 1 9 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.399 0.041 17822 5947 1 9 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.706 -0.620 17822 5948 1 9 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.361 1.554 17822 5949 1 9 . 1 1 108 108 LYS H H 108 8.946 8.946 8.031 0.915 17822 5950 1 9 . 1 1 109 109 LYS N N 109 125.136 125.136 128.211 -3.075 17822 5951 1 9 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.670 -0.034 17822 5952 1 9 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.058 -0.284 17822 5953 1 9 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.555 0.245 17822 5954 1 9 . 1 1 109 109 LYS H H 109 8.548 8.548 8.516 0.032 17822 5955 1 9 . 1 1 110 110 VAL N N 110 125.626 125.626 126.476 -0.850 17822 5956 1 9 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.065 0.011 17822 5957 1 9 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.040 -0.476 17822 5958 1 9 . 1 1 110 110 VAL CB C 110 33.892 33.892 33.434 0.459 17822 5959 1 9 . 1 1 110 110 VAL H H 110 8.850 8.850 8.558 0.292 17822 5960 1 9 . 1 1 111 111 ASN N N 111 126.837 126.837 127.046 -0.209 17822 5961 1 9 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.681 -0.393 17822 5962 1 9 . 1 1 111 111 ASN CA C 111 53.309 53.309 51.788 1.521 17822 5963 1 9 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.318 0.151 17822 5964 1 9 . 1 1 111 111 ASN H H 111 8.711 8.711 8.369 0.342 17822 5965 1 9 . 1 1 112 112 ILE N N 112 125.729 125.729 124.369 1.360 17822 5966 1 9 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.367 0.017 17822 5967 1 9 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.189 -1.000 17822 5968 1 9 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.332 0.520 17822 5969 1 9 . 1 1 112 112 ILE H H 112 8.931 8.931 8.616 0.315 17822 5970 1 9 . 1 1 113 113 ASP N N 113 122.734 122.734 127.620 -4.886 17822 5971 1 9 . 1 1 113 113 ASP HA H 113 5.790 5.790 6.037 -0.247 17822 5972 1 9 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.457 -1.252 17822 5973 1 9 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.122 -0.601 17822 5974 1 9 . 1 1 113 113 ASP H H 113 8.116 8.116 8.466 -0.350 17822 5975 1 9 . 1 1 114 114 PHE N N 114 116.385 116.385 118.727 -2.342 17822 5976 1 9 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.841 -0.138 17822 5977 1 9 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.425 0.037 17822 5978 1 9 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.114 -0.406 17822 5979 1 9 . 1 1 114 114 PHE H H 114 8.613 8.613 8.545 0.068 17822 5980 1 9 . 1 1 115 115 GLU N N 115 124.642 124.642 121.222 3.420 17822 5981 1 9 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.446 0.347 17822 5982 1 9 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.857 -1.154 17822 5983 1 9 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.969 1.156 17822 5984 1 9 . 1 1 115 115 GLU H H 115 8.591 8.591 8.349 0.242 17822 5985 1 9 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.236 0.347 17822 5986 1 9 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.303 0.048 17822 5987 1 9 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.472 -1.510 17822 5988 1 9 . 1 1 117 117 PHE N N 117 116.676 116.676 113.285 3.391 17822 5989 1 9 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.572 -0.378 17822 5990 1 9 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.206 0.433 17822 5991 1 9 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.054 -1.302 17822 5992 1 9 . 1 1 117 117 PHE H H 117 7.842 7.842 8.256 -0.414 17822 5993 1 9 . 1 1 118 118 LYS N N 118 118.589 118.589 119.671 -1.082 17822 5994 1 9 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.234 -0.051 17822 5995 1 9 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.761 -0.427 17822 5996 1 9 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.310 1.883 17822 5997 1 9 . 1 1 118 118 LYS H H 118 6.889 6.889 6.811 0.078 17822 5998 1 9 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.509 0.014 17822 5999 1 9 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.013 0.603 17822 6000 1 9 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.477 -0.305 17822 6001 1 9 . 1 1 120 120 ILE N N 120 121.968 121.968 121.248 0.720 17822 6002 1 9 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.205 -0.299 17822 6003 1 9 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.360 2.058 17822 6004 1 9 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.667 0.138 17822 6005 1 9 . 1 1 120 120 ILE H H 120 7.440 7.440 7.688 -0.248 17822 6006 1 9 . 1 1 121 121 ASN N N 121 120.951 120.951 126.170 -5.219 17822 6007 1 9 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.419 0.213 17822 6008 1 9 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.413 -1.531 17822 6009 1 9 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.610 0.688 17822 6010 1 9 . 1 1 121 121 ASN H H 121 8.112 8.112 8.794 -0.682 17822 6011 1 9 . 1 1 122 122 GLN N N 122 118.826 118.826 115.967 2.859 17822 6012 1 9 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.489 -0.077 17822 6013 1 9 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.870 -0.472 17822 6014 1 9 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.861 0.625 17822 6015 1 9 . 1 1 122 122 GLN H H 122 7.009 7.009 7.645 -0.636 17822 6016 1 9 . 1 1 123 123 PHE N N 123 122.795 122.795 118.454 4.341 17822 6017 1 9 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.458 0.256 17822 6018 1 9 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.870 -0.663 17822 6019 1 9 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.043 0.675 17822 6020 1 9 . 1 1 123 123 PHE H H 123 8.335 8.335 8.461 -0.126 17822 6021 1 9 . 1 1 124 124 MET N N 124 126.990 126.990 126.638 0.352 17822 6022 1 9 . 1 1 124 124 MET HA H 124 3.984 3.984 4.450 -0.466 17822 6023 1 9 . 1 1 124 124 MET CA C 124 54.799 54.799 54.443 0.356 17822 6024 1 9 . 1 1 124 124 MET CB C 124 37.330 37.330 36.372 0.958 17822 6025 1 9 . 1 1 124 124 MET H H 124 7.992 7.992 8.449 -0.457 17822 6026 1 9 . 1 1 125 125 TYR N N 125 122.216 122.216 124.896 -2.680 17822 6027 1 9 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.522 0.382 17822 6028 1 9 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.264 -0.515 17822 6029 1 9 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.359 0.794 17822 6030 1 9 . 1 1 125 125 TYR H H 125 7.552 7.552 8.121 -0.569 17822 6031 1 9 . 1 1 126 126 PHE N N 126 124.584 124.584 118.674 5.910 17822 6032 1 9 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.667 -0.592 17822 6033 1 9 . 1 1 126 126 PHE CA C 126 56.405 56.405 56.048 0.357 17822 6034 1 9 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.685 3.734 17822 6035 1 9 . 1 1 126 126 PHE H H 126 8.271 8.271 6.688 1.583 17822 6036 1 9 . 1 1 127 127 CYS N N 127 124.011 124.011 120.144 3.867 17822 6037 1 9 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.596 0.200 17822 6038 1 9 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.194 0.646 17822 6039 1 9 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.897 -4.966 17822 6040 1 9 . 1 1 127 127 CYS H H 127 8.442 8.442 8.938 -0.496 17822 6041 1 9 . 1 1 128 128 ASP N N 128 127.486 127.486 121.484 6.002 17822 6042 1 9 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.529 0.477 17822 6043 1 9 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.682 -2.176 17822 6044 1 9 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.750 2.646 17822 6045 1 9 . 1 1 128 128 ASP H H 128 8.907 8.907 8.506 0.401 17822 6046 1 9 . 1 1 129 129 ASN N N 129 119.092 119.092 118.319 0.773 17822 6047 1 9 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.244 0.420 17822 6048 1 9 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.244 -1.509 17822 6049 1 9 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.483 0.419 17822 6050 1 9 . 1 1 129 129 ASN H H 129 9.136 9.136 8.690 0.446 17822 6051 1 9 . 1 1 130 130 LYS N N 130 114.367 114.367 114.299 0.068 17822 6052 1 9 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.393 -0.230 17822 6053 1 9 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.348 -1.122 17822 6054 1 9 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.627 0.465 17822 6055 1 9 . 1 1 130 130 LYS H H 130 7.115 7.115 7.115 0.000 17822 6056 1 9 . 1 1 131 131 PHE N N 131 121.117 121.117 122.695 -1.578 17822 6057 1 9 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.448 0.067 17822 6058 1 9 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.554 -2.404 17822 6059 1 9 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.645 -0.556 17822 6060 1 9 . 1 1 131 131 PHE H H 131 9.291 9.291 8.850 0.441 17822 6061 1 9 . 1 1 132 132 HIS N N 132 121.897 121.897 127.471 -5.574 17822 6062 1 9 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.811 -0.428 17822 6063 1 9 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.851 0.152 17822 6064 1 9 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.175 -1.832 17822 6065 1 9 . 1 1 132 132 HIS H H 132 9.026 9.026 8.367 0.659 17822 6066 1 9 . 1 1 133 133 THR N N 133 117.915 117.915 118.094 -0.179 17822 6067 1 9 . 1 1 133 133 THR HA H 133 4.612 4.612 4.707 -0.095 17822 6068 1 9 . 1 1 133 133 THR CA C 133 61.679 61.679 61.791 -0.112 17822 6069 1 9 . 1 1 133 133 THR CB C 133 73.856 73.856 70.384 3.472 17822 6070 1 9 . 1 1 133 133 THR H H 133 8.700 8.700 8.415 0.285 17822 6071 1 9 . 1 1 134 134 GLU N N 134 129.072 129.072 128.367 0.705 17822 6072 1 9 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.224 -0.245 17822 6073 1 9 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.464 1.069 17822 6074 1 9 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.917 -2.414 17822 6075 1 9 . 1 1 134 134 GLU H H 134 10.805 10.805 8.637 2.168 17822 6076 1 9 . 1 1 135 135 ALA N N 135 122.099 122.099 122.044 0.055 17822 6077 1 9 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.053 0.018 17822 6078 1 9 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.138 -0.625 17822 6079 1 9 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.760 1.001 17822 6080 1 9 . 1 1 135 135 ALA H H 135 8.590 8.590 8.647 -0.057 17822 6081 1 9 . 1 1 136 136 LEU N N 136 116.720 116.720 117.875 -1.155 17822 6082 1 9 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.023 0.031 17822 6083 1 9 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.978 -1.401 17822 6084 1 9 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.476 -0.165 17822 6085 1 9 . 1 1 136 136 LEU H H 136 7.471 7.471 7.805 -0.334 17822 6086 1 9 . 1 1 137 137 THR N N 137 117.177 117.177 113.150 4.027 17822 6087 1 9 . 1 1 137 137 THR HA H 137 4.005 4.005 4.078 -0.073 17822 6088 1 9 . 1 1 137 137 THR CA C 137 66.610 66.610 65.310 1.300 17822 6089 1 9 . 1 1 137 137 THR CB C 137 67.980 67.980 68.818 -0.838 17822 6090 1 9 . 1 1 137 137 THR H H 137 8.044 8.044 7.609 0.435 17822 6091 1 9 . 1 1 138 138 ALA N N 138 124.719 124.719 123.711 1.008 17822 6092 1 9 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.334 -0.333 17822 6093 1 9 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.237 0.677 17822 6094 1 9 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.809 -1.312 17822 6095 1 9 . 1 1 138 138 ALA H H 138 7.695 7.695 8.029 -0.334 17822 6096 1 9 . 1 1 139 139 LEU N N 139 120.059 120.059 120.932 -0.873 17822 6097 1 9 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.032 -0.033 17822 6098 1 9 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.974 -0.480 17822 6099 1 9 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.656 1.156 17822 6100 1 9 . 1 1 139 139 LEU H H 139 7.345 7.345 8.393 -1.048 17822 6101 1 9 . 1 1 140 140 LEU N N 140 117.771 117.771 119.012 -1.241 17822 6102 1 9 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.046 -0.089 17822 6103 1 9 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.581 -1.603 17822 6104 1 9 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.840 0.399 17822 6105 1 9 . 1 1 140 140 LEU H H 140 7.748 7.748 7.826 -0.078 17822 6106 1 9 . 1 1 141 141 SER N N 141 114.778 114.778 113.040 1.738 17822 6107 1 9 . 1 1 141 141 SER HA H 141 4.107 4.107 4.235 -0.128 17822 6108 1 9 . 1 1 141 141 SER CA C 141 60.647 60.647 61.322 -0.675 17822 6109 1 9 . 1 1 141 141 SER CB C 141 62.650 62.650 62.892 -0.242 17822 6110 1 9 . 1 1 141 141 SER H H 141 7.807 7.807 7.633 0.174 17822 6111 1 9 . 1 1 142 142 ASP N N 142 121.827 121.827 121.332 0.495 17822 6112 1 9 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.560 -0.202 17822 6113 1 9 . 1 1 142 142 ASP CA C 142 56.061 56.061 55.990 0.071 17822 6114 1 9 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.318 -0.709 17822 6115 1 9 . 1 1 142 142 ASP H H 142 7.878 7.878 8.129 -0.251 17822 6116 1 9 . 1 1 143 143 LEU N N 143 120.220 120.220 119.556 0.664 17822 6117 1 9 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.311 -0.339 17822 6118 1 9 . 1 1 143 143 LEU CA C 143 56.462 56.462 55.898 0.564 17822 6119 1 9 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.841 -0.627 17822 6120 1 9 . 1 1 143 143 LEU H H 143 7.846 7.846 8.270 -0.424 17822 6121 1 10 . 1 1 2 2 ALA N N 2 125.964 125.964 125.532 0.432 17822 6122 1 10 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.512 0.100 17822 6123 1 10 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.257 0.035 17822 6124 1 10 . 1 1 2 2 ALA H H 2 8.065 8.065 8.485 -0.420 17822 6125 1 10 . 1 1 3 3 ASP N N 3 119.188 119.188 117.810 1.378 17822 6126 1 10 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.755 -0.145 17822 6127 1 10 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.898 -1.016 17822 6128 1 10 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.876 -1.066 17822 6129 1 10 . 1 1 3 3 ASP H H 3 8.203 8.203 8.676 -0.473 17822 6130 1 10 . 1 1 4 4 ASP N N 4 121.607 121.607 118.531 3.076 17822 6131 1 10 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.943 -0.571 17822 6132 1 10 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.594 -0.833 17822 6133 1 10 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.976 -2.066 17822 6134 1 10 . 1 1 4 4 ASP H H 4 7.954 7.954 8.200 -0.246 17822 6135 1 10 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.449 -0.197 17822 6136 1 10 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.403 -1.035 17822 6137 1 10 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.034 -0.175 17822 6138 1 10 . 1 1 6 6 SER N N 6 115.864 115.864 114.609 1.255 17822 6139 1 10 . 1 1 6 6 SER HA H 6 4.252 4.252 4.338 -0.086 17822 6140 1 10 . 1 1 6 6 SER CA C 6 58.870 58.870 60.196 -1.326 17822 6141 1 10 . 1 1 6 6 SER CB C 6 63.368 63.368 62.168 1.200 17822 6142 1 10 . 1 1 6 6 SER H H 6 8.310 8.310 8.407 -0.097 17822 6143 1 10 . 1 1 7 7 ALA N N 7 125.955 125.955 124.274 1.681 17822 6144 1 10 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.190 -0.191 17822 6145 1 10 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.112 -0.803 17822 6146 1 10 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.113 0.438 17822 6147 1 10 . 1 1 7 7 ALA H H 7 7.854 7.854 7.586 0.268 17822 6148 1 10 . 1 1 8 8 ALA N N 8 122.354 122.354 121.805 0.549 17822 6149 1 10 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.024 -0.227 17822 6150 1 10 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.050 -1.454 17822 6151 1 10 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.426 0.026 17822 6152 1 10 . 1 1 8 8 ALA H H 8 7.910 7.910 7.742 0.168 17822 6153 1 10 . 1 1 9 9 ASP N N 9 119.431 119.431 117.632 1.799 17822 6154 1 10 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.451 -0.132 17822 6155 1 10 . 1 1 9 9 ASP CA C 9 55.143 55.143 56.997 -1.854 17822 6156 1 10 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.538 0.085 17822 6157 1 10 . 1 1 9 9 ASP H H 9 7.970 7.970 7.916 0.054 17822 6158 1 10 . 1 1 10 10 ARG N N 10 122.263 122.263 120.901 1.362 17822 6159 1 10 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.340 -0.504 17822 6160 1 10 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.532 -0.751 17822 6161 1 10 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.555 -0.674 17822 6162 1 10 . 1 1 10 10 ARG H H 10 8.036 8.036 8.045 -0.009 17822 6163 1 10 . 1 1 11 11 ASN N N 11 118.325 118.325 117.937 0.388 17822 6164 1 10 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.446 -0.143 17822 6165 1 10 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.973 -0.830 17822 6166 1 10 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.361 -0.559 17822 6167 1 10 . 1 1 11 11 ASN H H 11 8.077 8.077 7.771 0.306 17822 6168 1 10 . 1 1 12 12 VAL N N 12 122.103 122.103 120.783 1.320 17822 6169 1 10 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.698 0.917 17822 6170 1 10 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.165 -0.544 17822 6171 1 10 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.145 0.341 17822 6172 1 10 . 1 1 12 12 VAL H H 12 7.741 7.741 7.788 -0.047 17822 6173 1 10 . 1 1 13 13 GLU N N 13 120.785 120.785 119.548 1.237 17822 6174 1 10 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.936 -0.702 17822 6175 1 10 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.289 5.772 17822 6176 1 10 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.963 0.805 17822 6177 1 10 . 1 1 13 13 GLU H H 13 7.751 7.751 7.640 0.111 17822 6178 1 10 . 1 1 14 14 ILE N N 14 120.199 120.199 120.243 -0.044 17822 6179 1 10 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.293 0.495 17822 6180 1 10 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.476 -5.294 17822 6181 1 10 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.267 -1.273 17822 6182 1 10 . 1 1 14 14 ILE H H 14 7.650 7.650 7.127 0.523 17822 6183 1 10 . 1 1 15 15 TRP N N 15 120.828 120.828 117.561 3.267 17822 6184 1 10 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.589 -0.536 17822 6185 1 10 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.591 2.999 17822 6186 1 10 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.670 -0.226 17822 6187 1 10 . 1 1 15 15 TRP H H 15 7.759 7.759 7.095 0.664 17822 6188 1 10 . 1 1 16 16 LYS N N 16 119.063 119.063 122.212 -3.149 17822 6189 1 10 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.156 -0.666 17822 6190 1 10 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.113 1.856 17822 6191 1 10 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.963 0.215 17822 6192 1 10 . 1 1 16 16 LYS H H 16 7.963 7.963 7.712 0.251 17822 6193 1 10 . 1 1 17 17 ILE N N 17 120.609 120.609 119.492 1.117 17822 6194 1 10 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.845 -0.234 17822 6195 1 10 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.514 -1.058 17822 6196 1 10 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.561 -1.263 17822 6197 1 10 . 1 1 17 17 ILE H H 17 7.630 7.630 8.458 -0.828 17822 6198 1 10 . 1 1 18 18 LYS N N 18 121.687 121.687 118.997 2.690 17822 6199 1 10 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.022 -0.439 17822 6200 1 10 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.492 1.438 17822 6201 1 10 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.541 0.541 17822 6202 1 10 . 1 1 18 18 LYS H H 18 8.297 8.297 7.781 0.516 17822 6203 1 10 . 1 1 19 19 LYS N N 19 119.253 119.253 118.336 0.917 17822 6204 1 10 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.148 -0.531 17822 6205 1 10 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.502 0.483 17822 6206 1 10 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.363 -0.504 17822 6207 1 10 . 1 1 19 19 LYS H H 19 7.685 7.685 7.705 -0.020 17822 6208 1 10 . 1 1 20 20 LEU N N 20 123.001 123.001 121.707 1.294 17822 6209 1 10 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.069 -0.244 17822 6210 1 10 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.691 0.090 17822 6211 1 10 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.857 -0.446 17822 6212 1 10 . 1 1 20 20 LEU H H 20 7.509 7.509 7.342 0.167 17822 6213 1 10 . 1 1 21 21 ILE N N 21 119.392 119.392 119.519 -0.127 17822 6214 1 10 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.742 -0.672 17822 6215 1 10 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.277 3.218 17822 6216 1 10 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.040 1.163 17822 6217 1 10 . 1 1 21 21 ILE H H 21 8.474 8.474 8.339 0.135 17822 6218 1 10 . 1 1 22 22 LYS N N 22 117.524 117.524 119.460 -1.936 17822 6219 1 10 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.066 -0.260 17822 6220 1 10 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.293 -0.480 17822 6221 1 10 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.200 -0.313 17822 6222 1 10 . 1 1 22 22 LYS H H 22 7.300 7.300 7.645 -0.345 17822 6223 1 10 . 1 1 23 23 SER N N 23 114.880 114.880 114.770 0.110 17822 6224 1 10 . 1 1 23 23 SER HA H 23 4.008 4.008 4.297 -0.289 17822 6225 1 10 . 1 1 23 23 SER CA C 23 61.106 61.106 61.027 0.079 17822 6226 1 10 . 1 1 23 23 SER CB C 23 62.587 62.587 63.437 -0.850 17822 6227 1 10 . 1 1 23 23 SER H H 23 7.653 7.653 7.490 0.163 17822 6228 1 10 . 1 1 24 24 LEU N N 24 121.607 121.607 123.194 -1.587 17822 6229 1 10 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.436 0.436 17822 6230 1 10 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.751 -0.888 17822 6231 1 10 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.301 -0.012 17822 6232 1 10 . 1 1 24 24 LEU H H 24 8.158 8.158 7.976 0.182 17822 6233 1 10 . 1 1 25 25 GLU N N 25 119.392 119.392 117.435 1.957 17822 6234 1 10 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.213 -0.332 17822 6235 1 10 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.498 0.085 17822 6236 1 10 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.514 -0.334 17822 6237 1 10 . 1 1 25 25 GLU H H 25 8.344 8.344 7.762 0.582 17822 6238 1 10 . 1 1 26 26 ALA N N 26 119.228 119.228 120.604 -1.376 17822 6239 1 10 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.439 -0.322 17822 6240 1 10 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.427 0.563 17822 6241 1 10 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.613 -0.660 17822 6242 1 10 . 1 1 26 26 ALA H H 26 7.154 7.154 7.495 -0.341 17822 6243 1 10 . 1 1 27 27 ALA N N 27 121.417 121.417 123.420 -2.003 17822 6244 1 10 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.590 -0.520 17822 6245 1 10 . 1 1 27 27 ALA CA C 27 52.468 52.468 51.960 0.508 17822 6246 1 10 . 1 1 27 27 ALA CB C 27 19.303 19.303 20.306 -1.003 17822 6247 1 10 . 1 1 27 27 ALA H H 27 6.833 6.833 7.568 -0.735 17822 6248 1 10 . 1 1 28 28 ARG N N 28 123.986 123.986 122.285 1.701 17822 6249 1 10 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.582 -0.086 17822 6250 1 10 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.325 -1.156 17822 6251 1 10 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.919 0.042 17822 6252 1 10 . 1 1 28 28 ARG H H 28 8.679 8.679 8.488 0.191 17822 6253 1 10 . 1 1 29 29 GLY N N 29 109.466 109.466 108.643 0.823 17822 6254 1 10 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.901 -0.512 17822 6255 1 10 . 1 1 29 29 GLY H H 29 8.091 8.091 8.309 -0.218 17822 6256 1 10 . 1 1 30 30 ASN N N 30 120.048 120.048 115.852 4.196 17822 6257 1 10 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.640 0.015 17822 6258 1 10 . 1 1 30 30 ASN CA C 30 51.629 51.629 52.995 -1.366 17822 6259 1 10 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.017 -1.215 17822 6260 1 10 . 1 1 30 30 ASN H H 30 8.419 8.419 8.429 -0.010 17822 6261 1 10 . 1 1 31 31 GLY N N 31 110.450 110.450 105.910 4.540 17822 6262 1 10 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.631 -0.945 17822 6263 1 10 . 1 1 31 31 GLY H H 31 8.071 8.071 8.623 -0.552 17822 6264 1 10 . 1 1 32 32 THR N N 32 112.929 112.929 116.346 -3.417 17822 6265 1 10 . 1 1 32 32 THR HA H 32 4.993 4.993 4.566 0.427 17822 6266 1 10 . 1 1 32 32 THR CA C 32 59.598 59.598 60.335 -0.737 17822 6267 1 10 . 1 1 32 32 THR H H 32 7.747 7.747 7.749 -0.002 17822 6268 1 10 . 1 1 33 33 SER N N 33 115.208 115.208 116.192 -0.984 17822 6269 1 10 . 1 1 33 33 SER HA H 33 4.335 4.335 4.712 -0.377 17822 6270 1 10 . 1 1 33 33 SER CA C 33 58.067 58.067 57.452 0.615 17822 6271 1 10 . 1 1 33 33 SER CB C 33 64.572 64.572 65.653 -1.081 17822 6272 1 10 . 1 1 33 33 SER H H 33 7.701 7.701 8.652 -0.951 17822 6273 1 10 . 1 1 34 34 MET N N 34 120.869 120.869 121.547 -0.678 17822 6274 1 10 . 1 1 34 34 MET HA H 34 4.666 4.666 4.722 -0.056 17822 6275 1 10 . 1 1 34 34 MET CA C 34 54.799 54.799 54.806 -0.007 17822 6276 1 10 . 1 1 34 34 MET CB C 34 34.700 34.700 34.187 0.513 17822 6277 1 10 . 1 1 34 34 MET H H 34 8.679 8.679 8.397 0.282 17822 6278 1 10 . 1 1 35 35 ILE N N 35 126.806 126.806 122.229 4.577 17822 6279 1 10 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.229 1.941 17822 6280 1 10 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.732 0.170 17822 6281 1 10 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.532 -0.859 17822 6282 1 10 . 1 1 35 35 ILE H H 35 9.562 9.562 8.318 1.244 17822 6283 1 10 . 1 1 36 36 SER N N 36 122.217 122.217 123.016 -0.799 17822 6284 1 10 . 1 1 36 36 SER HA H 36 4.968 4.968 5.119 -0.151 17822 6285 1 10 . 1 1 36 36 SER CA C 36 56.602 56.602 56.864 -0.262 17822 6286 1 10 . 1 1 36 36 SER CB C 36 64.572 64.572 64.339 0.233 17822 6287 1 10 . 1 1 36 36 SER H H 36 8.422 8.422 8.069 0.353 17822 6288 1 10 . 1 1 37 37 LEU N N 37 128.938 128.938 123.938 5.000 17822 6289 1 10 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.901 0.080 17822 6290 1 10 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.873 0.608 17822 6291 1 10 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.423 -0.047 17822 6292 1 10 . 1 1 37 37 LEU H H 37 8.916 8.916 7.625 1.291 17822 6293 1 10 . 1 1 38 38 ILE N N 38 128.296 128.296 115.222 13.074 17822 6294 1 10 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.950 0.022 17822 6295 1 10 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.737 0.108 17822 6296 1 10 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.072 -2.067 17822 6297 1 10 . 1 1 38 38 ILE H H 38 8.740 8.740 8.389 0.351 17822 6298 1 10 . 1 1 39 39 ILE N N 39 125.429 125.429 123.901 1.528 17822 6299 1 10 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.593 -0.194 17822 6300 1 10 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.598 -0.875 17822 6301 1 10 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.426 2.235 17822 6302 1 10 . 1 1 39 39 ILE H H 39 8.960 8.960 8.027 0.933 17822 6303 1 10 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.793 -0.386 17822 6304 1 10 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.504 5.678 17822 6305 1 10 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.184 0.188 17822 6306 1 10 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.539 -0.718 17822 6307 1 10 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.439 3.376 17822 6308 1 10 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.853 0.324 17822 6309 1 10 . 1 1 42 42 LYS N N 42 113.683 113.683 117.911 -4.228 17822 6310 1 10 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.396 -0.440 17822 6311 1 10 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.397 0.409 17822 6312 1 10 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.197 -2.015 17822 6313 1 10 . 1 1 42 42 LYS H H 42 8.004 8.004 8.304 -0.300 17822 6314 1 10 . 1 1 43 43 ASP N N 43 121.628 121.628 117.786 3.842 17822 6315 1 10 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.825 -0.390 17822 6316 1 10 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.327 -0.821 17822 6317 1 10 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.846 -1.631 17822 6318 1 10 . 1 1 43 43 ASP H H 43 7.290 7.290 7.432 -0.142 17822 6319 1 10 . 1 1 44 44 GLN N N 44 117.587 117.587 118.819 -1.232 17822 6320 1 10 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.588 -0.051 17822 6321 1 10 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.551 -0.612 17822 6322 1 10 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.573 -0.029 17822 6323 1 10 . 1 1 44 44 GLN H H 44 9.610 9.610 8.435 1.175 17822 6324 1 10 . 1 1 45 45 ILE N N 45 126.939 126.939 124.200 2.739 17822 6325 1 10 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.686 -0.385 17822 6326 1 10 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.517 -1.233 17822 6327 1 10 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.513 -1.880 17822 6328 1 10 . 1 1 45 45 ILE H H 45 8.806 8.806 8.892 -0.086 17822 6329 1 10 . 1 1 46 46 SER N N 46 113.239 113.239 114.526 -1.287 17822 6330 1 10 . 1 1 46 46 SER HA H 46 3.931 3.931 4.193 -0.262 17822 6331 1 10 . 1 1 46 46 SER CA C 46 60.762 60.762 61.433 -0.671 17822 6332 1 10 . 1 1 46 46 SER CB C 46 61.464 61.464 62.717 -1.253 17822 6333 1 10 . 1 1 46 46 SER H H 46 8.476 8.476 8.333 0.143 17822 6334 1 10 . 1 1 47 47 ARG N N 47 124.530 124.530 122.521 2.009 17822 6335 1 10 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.025 -0.234 17822 6336 1 10 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.796 0.131 17822 6337 1 10 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.344 1.239 17822 6338 1 10 . 1 1 47 47 ARG H H 47 6.731 6.731 7.661 -0.930 17822 6339 1 10 . 1 1 48 48 VAL N N 48 121.935 121.935 118.668 3.267 17822 6340 1 10 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.683 -0.536 17822 6341 1 10 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.767 -0.559 17822 6342 1 10 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.295 0.173 17822 6343 1 10 . 1 1 48 48 VAL H H 48 7.257 7.257 7.599 -0.342 17822 6344 1 10 . 1 1 49 49 ALA N N 49 122.345 122.345 120.021 2.324 17822 6345 1 10 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.024 -0.142 17822 6346 1 10 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.839 0.305 17822 6347 1 10 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.254 -0.604 17822 6348 1 10 . 1 1 49 49 ALA H H 49 8.864 8.864 7.753 1.111 17822 6349 1 10 . 1 1 50 50 LYS N N 50 120.376 120.376 119.828 0.548 17822 6350 1 10 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.132 -0.229 17822 6351 1 10 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.683 0.244 17822 6352 1 10 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.349 -0.763 17822 6353 1 10 . 1 1 50 50 LYS H H 50 7.380 7.380 7.875 -0.495 17822 6354 1 10 . 1 1 51 51 MET N N 51 121.641 121.641 117.977 3.664 17822 6355 1 10 . 1 1 51 51 MET HA H 51 3.935 3.935 4.158 -0.223 17822 6356 1 10 . 1 1 51 51 MET CA C 51 58.927 58.927 58.670 0.257 17822 6357 1 10 . 1 1 51 51 MET CB C 51 30.734 30.734 32.074 -1.340 17822 6358 1 10 . 1 1 51 51 MET H H 51 7.508 7.508 8.050 -0.542 17822 6359 1 10 . 1 1 52 52 LEU N N 52 120.125 120.125 120.000 0.125 17822 6360 1 10 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.264 -0.607 17822 6361 1 10 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.800 0.637 17822 6362 1 10 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.826 -0.272 17822 6363 1 10 . 1 1 52 52 LEU H H 52 8.203 8.203 7.755 0.448 17822 6364 1 10 . 1 1 53 53 ALA N N 53 123.639 123.639 122.334 1.305 17822 6365 1 10 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.880 0.065 17822 6366 1 10 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.417 -0.618 17822 6367 1 10 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.751 -0.502 17822 6368 1 10 . 1 1 53 53 ALA H H 53 7.775 7.775 7.484 0.291 17822 6369 1 10 . 1 1 54 54 ASP N N 54 123.165 123.165 118.066 5.099 17822 6370 1 10 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.418 -0.089 17822 6371 1 10 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.927 0.280 17822 6372 1 10 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.812 -1.707 17822 6373 1 10 . 1 1 54 54 ASP H H 54 8.156 8.156 7.710 0.446 17822 6374 1 10 . 1 1 55 55 GLU N N 55 122.017 122.017 119.380 2.637 17822 6375 1 10 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.045 -0.169 17822 6376 1 10 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.847 -0.264 17822 6377 1 10 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.358 -0.339 17822 6378 1 10 . 1 1 55 55 GLU H H 55 8.221 8.221 7.635 0.586 17822 6379 1 10 . 1 1 56 56 PHE N N 56 123.334 123.334 121.544 1.790 17822 6380 1 10 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.214 0.467 17822 6381 1 10 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.406 0.109 17822 6382 1 10 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.870 0.343 17822 6383 1 10 . 1 1 56 56 PHE H H 56 8.711 8.711 8.293 0.418 17822 6384 1 10 . 1 1 57 57 GLY N N 57 107.156 107.156 105.479 1.677 17822 6385 1 10 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.619 -0.136 17822 6386 1 10 . 1 1 57 57 GLY H H 57 7.985 7.985 8.087 -0.102 17822 6387 1 10 . 1 1 58 58 THR N N 58 118.940 118.940 116.986 1.954 17822 6388 1 10 . 1 1 58 58 THR HA H 58 4.062 4.062 4.130 -0.068 17822 6389 1 10 . 1 1 58 58 THR CA C 58 65.406 65.406 65.292 0.114 17822 6390 1 10 . 1 1 58 58 THR CB C 58 68.408 68.408 68.491 -0.083 17822 6391 1 10 . 1 1 58 58 THR H H 58 7.992 7.992 7.726 0.266 17822 6392 1 10 . 1 1 59 59 ALA N N 59 126.365 126.365 123.734 2.631 17822 6393 1 10 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.248 -0.320 17822 6394 1 10 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.593 -0.654 17822 6395 1 10 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.883 0.268 17822 6396 1 10 . 1 1 59 59 ALA H H 59 8.351 8.351 7.704 0.647 17822 6397 1 10 . 1 1 60 60 SER N N 60 112.435 112.435 112.559 -0.124 17822 6398 1 10 . 1 1 60 60 SER HA H 60 4.632 4.632 4.153 0.479 17822 6399 1 10 . 1 1 60 60 SER CA C 60 61.220 61.220 59.794 1.426 17822 6400 1 10 . 1 1 60 60 SER CB C 60 62.686 62.686 62.904 -0.218 17822 6401 1 10 . 1 1 60 60 SER H H 60 7.459 7.459 7.647 -0.188 17822 6402 1 10 . 1 1 61 61 ASN N N 61 116.971 116.971 118.195 -1.224 17822 6403 1 10 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.654 -0.141 17822 6404 1 10 . 1 1 61 61 ASN CA C 61 53.022 53.022 54.084 -1.062 17822 6405 1 10 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.133 -0.128 17822 6406 1 10 . 1 1 61 61 ASN H H 61 7.372 7.372 7.442 -0.070 17822 6407 1 10 . 1 1 62 62 ILE N N 62 123.980 123.980 122.140 1.840 17822 6408 1 10 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.850 -0.214 17822 6409 1 10 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.477 0.951 17822 6410 1 10 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.990 -0.560 17822 6411 1 10 . 1 1 62 62 ILE H H 62 7.461 7.461 7.303 0.158 17822 6412 1 10 . 1 1 63 63 LYS N N 63 128.982 128.982 125.809 3.173 17822 6413 1 10 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.084 -0.287 17822 6414 1 10 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.240 0.458 17822 6415 1 10 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.542 0.164 17822 6416 1 10 . 1 1 63 63 LYS H H 63 8.417 8.417 8.357 0.060 17822 6417 1 10 . 1 1 64 64 SER N N 64 114.306 114.306 118.020 -3.714 17822 6418 1 10 . 1 1 64 64 SER HA H 64 4.616 4.616 4.569 0.047 17822 6419 1 10 . 1 1 64 64 SER CA C 64 56.749 56.749 57.017 -0.268 17822 6420 1 10 . 1 1 64 64 SER CB C 64 62.962 62.962 63.349 -0.387 17822 6421 1 10 . 1 1 64 64 SER H H 64 7.599 7.599 8.040 -0.441 17822 6422 1 10 . 1 1 65 65 ARG N N 65 132.125 132.125 128.216 3.909 17822 6423 1 10 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.881 0.425 17822 6424 1 10 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.901 0.001 17822 6425 1 10 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.893 3.205 17822 6426 1 10 . 1 1 65 65 ARG H H 65 8.689 8.689 8.781 -0.092 17822 6427 1 10 . 1 1 66 66 VAL N N 66 116.947 116.947 118.905 -1.958 17822 6428 1 10 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.557 -0.006 17822 6429 1 10 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.830 -1.367 17822 6430 1 10 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.234 0.352 17822 6431 1 10 . 1 1 66 66 VAL H H 66 7.946 7.946 8.227 -0.281 17822 6432 1 10 . 1 1 67 67 ASN N N 67 119.499 119.499 116.863 2.636 17822 6433 1 10 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.337 0.075 17822 6434 1 10 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.046 -0.673 17822 6435 1 10 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.220 -0.184 17822 6436 1 10 . 1 1 67 67 ASN H H 67 7.386 7.386 7.717 -0.331 17822 6437 1 10 . 1 1 68 68 ARG N N 68 122.132 122.132 121.674 0.458 17822 6438 1 10 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.905 -0.311 17822 6439 1 10 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.337 0.461 17822 6440 1 10 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.062 0.497 17822 6441 1 10 . 1 1 68 68 ARG H H 68 8.566 8.566 7.586 0.980 17822 6442 1 10 . 1 1 69 69 LEU N N 69 116.564 116.564 118.835 -2.271 17822 6443 1 10 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.066 -0.283 17822 6444 1 10 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.939 -0.044 17822 6445 1 10 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.673 -0.064 17822 6446 1 10 . 1 1 69 69 LEU H H 69 8.167 8.167 8.549 -0.382 17822 6447 1 10 . 1 1 70 70 SER N N 70 116.805 116.805 112.653 4.152 17822 6448 1 10 . 1 1 70 70 SER HA H 70 4.132 4.132 4.194 -0.062 17822 6449 1 10 . 1 1 70 70 SER CA C 70 61.450 61.450 61.517 -0.067 17822 6450 1 10 . 1 1 70 70 SER CB C 70 62.635 62.635 63.021 -0.386 17822 6451 1 10 . 1 1 70 70 SER H H 70 7.589 7.589 7.574 0.015 17822 6452 1 10 . 1 1 71 71 VAL N N 71 124.991 124.991 121.081 3.910 17822 6453 1 10 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.876 -0.393 17822 6454 1 10 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.665 1.175 17822 6455 1 10 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.731 -0.082 17822 6456 1 10 . 1 1 71 71 VAL H H 71 7.934 7.934 8.105 -0.171 17822 6457 1 10 . 1 1 72 72 LEU N N 72 118.680 118.680 120.046 -1.366 17822 6458 1 10 . 1 1 72 72 LEU HA H 72 3.721 3.721 3.998 -0.277 17822 6459 1 10 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.291 -0.053 17822 6460 1 10 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.467 -0.169 17822 6461 1 10 . 1 1 72 72 LEU H H 72 8.354 8.354 8.799 -0.445 17822 6462 1 10 . 1 1 73 73 GLY N N 73 106.674 106.674 106.045 0.629 17822 6463 1 10 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.920 0.025 17822 6464 1 10 . 1 1 73 73 GLY H H 73 8.052 8.052 8.295 -0.243 17822 6465 1 10 . 1 1 74 74 ALA N N 74 127.313 127.313 124.334 2.979 17822 6466 1 10 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.029 0.124 17822 6467 1 10 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.492 0.881 17822 6468 1 10 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.768 -0.962 17822 6469 1 10 . 1 1 74 74 ALA H H 74 7.784 7.784 7.375 0.409 17822 6470 1 10 . 1 1 75 75 ILE N N 75 119.310 119.310 118.918 0.392 17822 6471 1 10 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.637 -0.275 17822 6472 1 10 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.825 0.785 17822 6473 1 10 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.068 0.356 17822 6474 1 10 . 1 1 75 75 ILE H H 75 8.638 8.638 8.712 -0.074 17822 6475 1 10 . 1 1 76 76 THR N N 76 116.205 116.205 112.207 3.998 17822 6476 1 10 . 1 1 76 76 THR HA H 76 4.227 4.227 3.893 0.334 17822 6477 1 10 . 1 1 76 76 THR CA C 76 66.782 66.782 66.537 0.245 17822 6478 1 10 . 1 1 76 76 THR CB C 76 68.478 68.478 68.196 0.282 17822 6479 1 10 . 1 1 76 76 THR H H 76 8.317 8.317 7.899 0.418 17822 6480 1 10 . 1 1 77 77 SER N N 77 118.405 118.405 117.339 1.066 17822 6481 1 10 . 1 1 77 77 SER HA H 77 4.173 4.173 4.196 -0.023 17822 6482 1 10 . 1 1 77 77 SER CA C 77 62.482 62.482 61.135 1.347 17822 6483 1 10 . 1 1 77 77 SER CB C 77 63.484 63.484 62.745 0.739 17822 6484 1 10 . 1 1 77 77 SER H H 77 7.843 7.843 7.584 0.259 17822 6485 1 10 . 1 1 78 78 VAL N N 78 124.171 124.171 122.806 1.365 17822 6486 1 10 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.842 -0.269 17822 6487 1 10 . 1 1 78 78 VAL CA C 78 66.724 66.724 64.824 1.900 17822 6488 1 10 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.262 -0.278 17822 6489 1 10 . 1 1 78 78 VAL H H 78 8.153 8.153 7.954 0.199 17822 6490 1 10 . 1 1 79 79 GLN N N 79 120.008 120.008 118.628 1.380 17822 6491 1 10 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.845 0.084 17822 6492 1 10 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.514 -0.127 17822 6493 1 10 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.282 0.497 17822 6494 1 10 . 1 1 79 79 GLN H H 79 8.688 8.688 8.415 0.273 17822 6495 1 10 . 1 1 80 80 GLN N N 80 116.870 116.870 118.501 -1.631 17822 6496 1 10 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.038 -0.263 17822 6497 1 10 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.388 -0.862 17822 6498 1 10 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.461 -0.484 17822 6499 1 10 . 1 1 80 80 GLN H H 80 7.850 7.850 7.770 0.080 17822 6500 1 10 . 1 1 81 81 ARG N N 81 119.074 119.074 119.319 -0.245 17822 6501 1 10 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.114 -0.122 17822 6502 1 10 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.833 -2.199 17822 6503 1 10 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.615 -1.293 17822 6504 1 10 . 1 1 81 81 ARG H H 81 7.520 7.520 7.635 -0.115 17822 6505 1 10 . 1 1 82 82 LEU N N 82 117.238 117.238 117.443 -0.205 17822 6506 1 10 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.354 -0.463 17822 6507 1 10 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.879 -0.442 17822 6508 1 10 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.129 -0.319 17822 6509 1 10 . 1 1 82 82 LEU H H 82 8.189 8.189 8.045 0.144 17822 6510 1 10 . 1 1 83 83 LYS N N 83 114.899 114.899 119.955 -5.056 17822 6511 1 10 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.065 -0.120 17822 6512 1 10 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.114 -1.448 17822 6513 1 10 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.947 0.040 17822 6514 1 10 . 1 1 83 83 LYS H H 83 7.064 7.064 7.754 -0.690 17822 6515 1 10 . 1 1 84 84 LEU N N 84 117.840 117.840 119.391 -1.551 17822 6516 1 10 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.086 -0.213 17822 6517 1 10 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.908 -1.593 17822 6518 1 10 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.009 -0.080 17822 6519 1 10 . 1 1 84 84 LEU H H 84 7.271 7.271 7.617 -0.346 17822 6520 1 10 . 1 1 85 85 TYR N N 85 119.720 119.720 115.692 4.028 17822 6521 1 10 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.371 -0.116 17822 6522 1 10 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.041 -0.973 17822 6523 1 10 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.858 0.210 17822 6524 1 10 . 1 1 85 85 TYR H H 85 7.633 7.633 7.274 0.359 17822 6525 1 10 . 1 1 86 86 ASN N N 86 119.638 119.638 116.608 3.030 17822 6526 1 10 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.415 0.059 17822 6527 1 10 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.343 -0.461 17822 6528 1 10 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.279 0.463 17822 6529 1 10 . 1 1 86 86 ASN H H 86 8.622 8.622 8.650 -0.028 17822 6530 1 10 . 1 1 87 87 LYS N N 87 116.321 116.321 117.744 -1.423 17822 6531 1 10 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.532 -0.034 17822 6532 1 10 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.908 -0.739 17822 6533 1 10 . 1 1 87 87 LYS CB C 87 34.673 34.673 36.132 -1.459 17822 6534 1 10 . 1 1 87 87 LYS H H 87 7.631 7.631 7.855 -0.224 17822 6535 1 10 . 1 1 88 88 VAL N N 88 125.141 125.141 118.922 6.219 17822 6536 1 10 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.516 -0.894 17822 6537 1 10 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.698 3.268 17822 6538 1 10 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.822 0.466 17822 6539 1 10 . 1 1 88 88 VAL H H 88 8.357 8.357 8.418 -0.061 17822 6540 1 10 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.686 -0.433 17822 6541 1 10 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.323 2.017 17822 6542 1 10 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.913 0.641 17822 6543 1 10 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.212 0.288 17822 6544 1 10 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.159 0.820 17822 6545 1 10 . 1 1 90 90 PRO CB C 90 32.188 32.188 31.919 0.269 17822 6546 1 10 . 1 1 91 91 ASN N N 91 112.735 112.735 116.487 -3.752 17822 6547 1 10 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.447 0.208 17822 6548 1 10 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.760 -1.885 17822 6549 1 10 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.267 -0.824 17822 6550 1 10 . 1 1 91 91 ASN H H 91 9.163 9.163 8.434 0.729 17822 6551 1 10 . 1 1 92 92 GLY N N 92 108.893 108.893 104.840 4.053 17822 6552 1 10 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.672 -1.231 17822 6553 1 10 . 1 1 92 92 GLY H H 92 7.898 7.898 7.065 0.833 17822 6554 1 10 . 1 1 93 93 LEU N N 93 117.751 117.751 125.500 -7.749 17822 6555 1 10 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.250 0.074 17822 6556 1 10 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.063 -0.296 17822 6557 1 10 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.038 5.489 17822 6558 1 10 . 1 1 93 93 LEU H H 93 8.508 8.508 7.659 0.849 17822 6559 1 10 . 1 1 94 94 VAL N N 94 126.296 126.296 128.616 -2.320 17822 6560 1 10 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.679 -0.329 17822 6561 1 10 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.270 -0.795 17822 6562 1 10 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.384 -0.216 17822 6563 1 10 . 1 1 94 94 VAL H H 94 8.168 8.168 7.856 0.312 17822 6564 1 10 . 1 1 95 95 VAL N N 95 125.531 125.531 118.483 7.048 17822 6565 1 10 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.022 -0.882 17822 6566 1 10 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.637 0.666 17822 6567 1 10 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.338 0.857 17822 6568 1 10 . 1 1 95 95 VAL H H 95 8.744 8.744 8.168 0.576 17822 6569 1 10 . 1 1 96 96 TYR N N 96 123.577 123.577 123.233 0.344 17822 6570 1 10 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.576 -0.244 17822 6571 1 10 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.812 0.765 17822 6572 1 10 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.941 -0.321 17822 6573 1 10 . 1 1 96 96 TYR H H 96 8.698 8.698 9.100 -0.402 17822 6574 1 10 . 1 1 97 97 CYS N N 97 120.144 120.144 122.944 -2.800 17822 6575 1 10 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.795 -0.247 17822 6576 1 10 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.756 -1.179 17822 6577 1 10 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.513 1.273 17822 6578 1 10 . 1 1 97 97 CYS H H 97 8.796 8.796 8.338 0.458 17822 6579 1 10 . 1 1 98 98 GLY N N 98 112.534 112.534 112.850 -0.316 17822 6580 1 10 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.383 0.415 17822 6581 1 10 . 1 1 98 98 GLY H H 98 8.776 8.776 8.387 0.389 17822 6582 1 10 . 1 1 99 99 THR N N 99 119.083 119.083 116.317 2.766 17822 6583 1 10 . 1 1 99 99 THR HA H 99 4.821 4.821 5.437 -0.616 17822 6584 1 10 . 1 1 99 99 THR CA C 99 62.294 62.294 61.813 0.481 17822 6585 1 10 . 1 1 99 99 THR CB C 99 69.781 69.781 70.866 -1.085 17822 6586 1 10 . 1 1 99 99 THR H H 99 8.168 8.168 8.380 -0.212 17822 6587 1 10 . 1 1 100 100 ILE N N 100 122.250 122.250 124.083 -1.833 17822 6588 1 10 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.641 -0.064 17822 6589 1 10 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.689 -0.106 17822 6590 1 10 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.860 -0.351 17822 6591 1 10 . 1 1 100 100 ILE H H 100 8.838 8.838 8.541 0.297 17822 6592 1 10 . 1 1 101 101 VAL N N 101 120.622 120.622 124.354 -3.732 17822 6593 1 10 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.903 -0.253 17822 6594 1 10 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.586 1.004 17822 6595 1 10 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.547 -1.658 17822 6596 1 10 . 1 1 101 101 VAL H H 101 8.310 8.310 8.462 -0.152 17822 6597 1 10 . 1 1 102 102 THR N N 102 118.661 118.661 121.851 -3.190 17822 6598 1 10 . 1 1 102 102 THR HA H 102 4.658 4.658 4.574 0.084 17822 6599 1 10 . 1 1 102 102 THR CA C 102 60.590 60.590 60.762 -0.172 17822 6600 1 10 . 1 1 102 102 THR CB C 102 71.189 71.189 70.333 0.856 17822 6601 1 10 . 1 1 102 102 THR H H 102 8.867 8.867 8.206 0.661 17822 6602 1 10 . 1 1 103 103 GLU N N 103 121.906 121.906 121.468 0.438 17822 6603 1 10 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.126 -0.208 17822 6604 1 10 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.833 0.094 17822 6605 1 10 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.522 -0.592 17822 6606 1 10 . 1 1 103 103 GLU H H 103 9.243 9.243 8.853 0.390 17822 6607 1 10 . 1 1 104 104 GLU N N 104 116.013 116.013 117.654 -1.641 17822 6608 1 10 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.153 0.021 17822 6609 1 10 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.171 0.062 17822 6610 1 10 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.225 0.242 17822 6611 1 10 . 1 1 104 104 GLU H H 104 7.716 7.716 7.790 -0.074 17822 6612 1 10 . 1 1 105 105 GLY N N 105 109.001 109.001 107.679 1.322 17822 6613 1 10 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.315 -0.610 17822 6614 1 10 . 1 1 105 105 GLY H H 105 8.045 8.045 8.017 0.028 17822 6615 1 10 . 1 1 106 106 LYS N N 106 119.559 119.559 119.222 0.337 17822 6616 1 10 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.618 -0.287 17822 6617 1 10 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.521 -0.066 17822 6618 1 10 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.509 -0.087 17822 6619 1 10 . 1 1 106 106 LYS H H 106 6.924 6.924 7.566 -0.642 17822 6620 1 10 . 1 1 107 107 GLU N N 107 121.771 121.771 124.255 -2.484 17822 6621 1 10 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.349 0.605 17822 6622 1 10 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.364 -0.762 17822 6623 1 10 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.737 0.548 17822 6624 1 10 . 1 1 107 107 GLU H H 107 8.371 8.371 8.728 -0.357 17822 6625 1 10 . 1 1 108 108 LYS N N 108 125.216 125.216 122.191 3.025 17822 6626 1 10 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.481 -0.041 17822 6627 1 10 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.143 -0.057 17822 6628 1 10 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.780 1.135 17822 6629 1 10 . 1 1 108 108 LYS H H 108 8.946 8.946 8.367 0.579 17822 6630 1 10 . 1 1 109 109 LYS N N 109 125.136 125.136 128.982 -3.846 17822 6631 1 10 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.402 0.234 17822 6632 1 10 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.419 -0.645 17822 6633 1 10 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.709 0.091 17822 6634 1 10 . 1 1 109 109 LYS H H 109 8.548 8.548 8.636 -0.088 17822 6635 1 10 . 1 1 110 110 VAL N N 110 125.626 125.626 127.881 -2.255 17822 6636 1 10 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.095 -0.019 17822 6637 1 10 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.488 -0.924 17822 6638 1 10 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.037 1.855 17822 6639 1 10 . 1 1 110 110 VAL H H 110 8.850 8.850 8.995 -0.145 17822 6640 1 10 . 1 1 111 111 ASN N N 111 126.837 126.837 127.071 -0.234 17822 6641 1 10 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.310 -0.022 17822 6642 1 10 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.453 0.856 17822 6643 1 10 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.608 -0.139 17822 6644 1 10 . 1 1 111 111 ASN H H 111 8.711 8.711 8.489 0.222 17822 6645 1 10 . 1 1 112 112 ILE N N 112 125.729 125.729 123.763 1.966 17822 6646 1 10 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.515 -0.131 17822 6647 1 10 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.867 -0.678 17822 6648 1 10 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.106 -0.254 17822 6649 1 10 . 1 1 112 112 ILE H H 112 8.931 8.931 8.524 0.407 17822 6650 1 10 . 1 1 113 113 ASP N N 113 122.734 122.734 123.477 -0.743 17822 6651 1 10 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.929 -0.139 17822 6652 1 10 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.623 -1.418 17822 6653 1 10 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.673 -0.152 17822 6654 1 10 . 1 1 113 113 ASP H H 113 8.116 8.116 8.508 -0.392 17822 6655 1 10 . 1 1 114 114 PHE N N 114 116.385 116.385 118.039 -1.654 17822 6656 1 10 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.829 -0.126 17822 6657 1 10 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.573 -0.111 17822 6658 1 10 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.849 -1.142 17822 6659 1 10 . 1 1 114 114 PHE H H 114 8.613 8.613 8.183 0.430 17822 6660 1 10 . 1 1 115 115 GLU N N 115 124.642 124.642 120.689 3.953 17822 6661 1 10 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.391 0.402 17822 6662 1 10 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.421 -1.718 17822 6663 1 10 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.597 1.528 17822 6664 1 10 . 1 1 115 115 GLU H H 115 8.591 8.591 8.337 0.254 17822 6665 1 10 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.244 0.339 17822 6666 1 10 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.545 -0.194 17822 6667 1 10 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.259 -1.297 17822 6668 1 10 . 1 1 117 117 PHE N N 117 116.676 116.676 111.630 5.046 17822 6669 1 10 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.745 -0.551 17822 6670 1 10 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.356 1.283 17822 6671 1 10 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.254 -1.502 17822 6672 1 10 . 1 1 117 117 PHE H H 117 7.842 7.842 8.200 -0.358 17822 6673 1 10 . 1 1 118 118 LYS N N 118 118.589 118.589 119.276 -0.687 17822 6674 1 10 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.346 -0.163 17822 6675 1 10 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.449 -0.115 17822 6676 1 10 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.820 1.373 17822 6677 1 10 . 1 1 118 118 LYS H H 118 6.889 6.889 7.103 -0.214 17822 6678 1 10 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.487 0.036 17822 6679 1 10 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.239 0.377 17822 6680 1 10 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.356 -0.184 17822 6681 1 10 . 1 1 120 120 ILE N N 120 121.968 121.968 121.647 0.321 17822 6682 1 10 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.158 -0.252 17822 6683 1 10 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.962 1.456 17822 6684 1 10 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.289 0.516 17822 6685 1 10 . 1 1 120 120 ILE H H 120 7.440 7.440 7.729 -0.288 17822 6686 1 10 . 1 1 121 121 ASN N N 121 120.951 120.951 124.466 -3.515 17822 6687 1 10 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.492 0.140 17822 6688 1 10 . 1 1 121 121 ASN CA C 121 53.882 53.882 54.534 -0.652 17822 6689 1 10 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.937 0.361 17822 6690 1 10 . 1 1 121 121 ASN H H 121 8.112 8.112 8.531 -0.419 17822 6691 1 10 . 1 1 122 122 GLN N N 122 118.826 118.826 115.385 3.441 17822 6692 1 10 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.417 -0.005 17822 6693 1 10 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.958 -0.560 17822 6694 1 10 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.360 0.126 17822 6695 1 10 . 1 1 122 122 GLN H H 122 7.009 7.009 7.564 -0.555 17822 6696 1 10 . 1 1 123 123 PHE N N 123 122.795 122.795 119.571 3.224 17822 6697 1 10 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.398 0.316 17822 6698 1 10 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.144 -0.937 17822 6699 1 10 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.408 1.310 17822 6700 1 10 . 1 1 123 123 PHE H H 123 8.335 8.335 8.755 -0.420 17822 6701 1 10 . 1 1 124 124 MET N N 124 126.990 126.990 126.060 0.930 17822 6702 1 10 . 1 1 124 124 MET HA H 124 3.984 3.984 4.452 -0.468 17822 6703 1 10 . 1 1 124 124 MET CA C 124 54.799 54.799 54.324 0.475 17822 6704 1 10 . 1 1 124 124 MET CB C 124 37.330 37.330 35.158 2.172 17822 6705 1 10 . 1 1 124 124 MET H H 124 7.992 7.992 7.875 0.117 17822 6706 1 10 . 1 1 125 125 TYR N N 125 122.216 122.216 123.988 -1.772 17822 6707 1 10 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.519 0.385 17822 6708 1 10 . 1 1 125 125 TYR CA C 125 56.749 56.749 56.711 0.038 17822 6709 1 10 . 1 1 125 125 TYR CB C 125 41.153 41.153 41.036 0.117 17822 6710 1 10 . 1 1 125 125 TYR H H 125 7.552 7.552 8.072 -0.520 17822 6711 1 10 . 1 1 126 126 PHE N N 126 124.584 124.584 118.074 6.510 17822 6712 1 10 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.656 -0.581 17822 6713 1 10 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.575 0.830 17822 6714 1 10 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.918 3.501 17822 6715 1 10 . 1 1 126 126 PHE H H 126 8.271 8.271 6.688 1.583 17822 6716 1 10 . 1 1 127 127 CYS N N 127 124.011 124.011 120.173 3.838 17822 6717 1 10 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.574 0.222 17822 6718 1 10 . 1 1 127 127 CYS CA C 127 57.840 57.840 58.481 -0.641 17822 6719 1 10 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.916 -4.985 17822 6720 1 10 . 1 1 127 127 CYS H H 127 8.442 8.442 8.914 -0.472 17822 6721 1 10 . 1 1 128 128 ASP N N 128 127.486 127.486 121.430 6.056 17822 6722 1 10 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.655 0.351 17822 6723 1 10 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.963 -2.457 17822 6724 1 10 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.697 2.699 17822 6725 1 10 . 1 1 128 128 ASP H H 128 8.907 8.907 8.477 0.430 17822 6726 1 10 . 1 1 129 129 ASN N N 129 119.092 119.092 115.156 3.936 17822 6727 1 10 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.190 0.474 17822 6728 1 10 . 1 1 129 129 ASN CA C 129 52.735 52.735 53.939 -1.204 17822 6729 1 10 . 1 1 129 129 ASN CB C 129 37.902 37.902 36.963 0.939 17822 6730 1 10 . 1 1 129 129 ASN H H 129 9.136 9.136 8.880 0.256 17822 6731 1 10 . 1 1 130 130 LYS N N 130 114.367 114.367 113.961 0.406 17822 6732 1 10 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.414 -0.251 17822 6733 1 10 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.544 -1.318 17822 6734 1 10 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.774 0.318 17822 6735 1 10 . 1 1 130 130 LYS H H 130 7.115 7.115 7.271 -0.156 17822 6736 1 10 . 1 1 131 131 PHE N N 131 121.117 121.117 122.725 -1.608 17822 6737 1 10 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.454 0.061 17822 6738 1 10 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.469 -2.319 17822 6739 1 10 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.636 -0.547 17822 6740 1 10 . 1 1 131 131 PHE H H 131 9.291 9.291 8.831 0.460 17822 6741 1 10 . 1 1 132 132 HIS N N 132 121.897 121.897 125.493 -3.596 17822 6742 1 10 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.842 -0.459 17822 6743 1 10 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.839 0.164 17822 6744 1 10 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.303 -1.960 17822 6745 1 10 . 1 1 132 132 HIS H H 132 9.026 9.026 8.451 0.575 17822 6746 1 10 . 1 1 133 133 THR N N 133 117.915 117.915 118.739 -0.824 17822 6747 1 10 . 1 1 133 133 THR HA H 133 4.612 4.612 4.756 -0.144 17822 6748 1 10 . 1 1 133 133 THR CA C 133 61.679 61.679 61.548 0.131 17822 6749 1 10 . 1 1 133 133 THR CB C 133 73.856 73.856 71.014 2.842 17822 6750 1 10 . 1 1 133 133 THR H H 133 8.700 8.700 8.335 0.365 17822 6751 1 10 . 1 1 134 134 GLU N N 134 129.072 129.072 126.957 2.115 17822 6752 1 10 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.276 -0.297 17822 6753 1 10 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.352 1.181 17822 6754 1 10 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.713 -2.210 17822 6755 1 10 . 1 1 134 134 GLU H H 134 10.805 10.805 8.626 2.179 17822 6756 1 10 . 1 1 135 135 ALA N N 135 122.099 122.099 121.929 0.170 17822 6757 1 10 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.079 -0.008 17822 6758 1 10 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.842 -0.329 17822 6759 1 10 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.823 0.938 17822 6760 1 10 . 1 1 135 135 ALA H H 135 8.590 8.590 8.590 -0.000 17822 6761 1 10 . 1 1 136 136 LEU N N 136 116.720 116.720 117.384 -0.664 17822 6762 1 10 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.137 -0.083 17822 6763 1 10 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.601 -1.024 17822 6764 1 10 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.725 -0.414 17822 6765 1 10 . 1 1 136 136 LEU H H 136 7.471 7.471 7.714 -0.243 17822 6766 1 10 . 1 1 137 137 THR N N 137 117.177 117.177 113.410 3.767 17822 6767 1 10 . 1 1 137 137 THR HA H 137 4.005 4.005 4.043 -0.038 17822 6768 1 10 . 1 1 137 137 THR CA C 137 66.610 66.610 65.612 0.998 17822 6769 1 10 . 1 1 137 137 THR CB C 137 67.980 67.980 68.970 -0.990 17822 6770 1 10 . 1 1 137 137 THR H H 137 8.044 8.044 7.604 0.440 17822 6771 1 10 . 1 1 138 138 ALA N N 138 124.719 124.719 123.872 0.847 17822 6772 1 10 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.309 -0.308 17822 6773 1 10 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.513 0.402 17822 6774 1 10 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.577 -1.080 17822 6775 1 10 . 1 1 138 138 ALA H H 138 7.695 7.695 8.350 -0.655 17822 6776 1 10 . 1 1 139 139 LEU N N 139 120.059 120.059 120.738 -0.679 17822 6777 1 10 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.005 -0.006 17822 6778 1 10 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.028 -0.534 17822 6779 1 10 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.862 0.950 17822 6780 1 10 . 1 1 139 139 LEU H H 139 7.345 7.345 7.594 -0.249 17822 6781 1 10 . 1 1 140 140 LEU N N 140 117.771 117.771 119.018 -1.247 17822 6782 1 10 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.066 -0.109 17822 6783 1 10 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.532 -1.554 17822 6784 1 10 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.859 0.380 17822 6785 1 10 . 1 1 140 140 LEU H H 140 7.748 7.748 7.836 -0.088 17822 6786 1 10 . 1 1 141 141 SER N N 141 114.778 114.778 112.997 1.781 17822 6787 1 10 . 1 1 141 141 SER HA H 141 4.107 4.107 4.237 -0.130 17822 6788 1 10 . 1 1 141 141 SER CA C 141 60.647 60.647 60.689 -0.042 17822 6789 1 10 . 1 1 141 141 SER CB C 141 62.650 62.650 62.970 -0.320 17822 6790 1 10 . 1 1 141 141 SER H H 141 7.807 7.807 7.380 0.427 17822 6791 1 10 . 1 1 142 142 ASP N N 142 121.827 121.827 121.091 0.736 17822 6792 1 10 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.557 -0.199 17822 6793 1 10 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.123 -0.062 17822 6794 1 10 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.379 -0.770 17822 6795 1 10 . 1 1 142 142 ASP H H 142 7.878 7.878 8.080 -0.202 17822 6796 1 10 . 1 1 143 143 LEU N N 143 120.220 120.220 119.596 0.624 17822 6797 1 10 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.328 -0.356 17822 6798 1 10 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.211 0.251 17822 6799 1 10 . 1 1 143 143 LEU CB C 143 42.214 42.214 43.188 -0.974 17822 6800 1 10 . 1 1 143 143 LEU H H 143 7.846 7.846 8.338 -0.492 17822 6801 1 11 . 1 1 2 2 ALA N N 2 125.964 125.964 129.938 -3.974 17822 6802 1 11 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.597 0.015 17822 6803 1 11 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.036 0.256 17822 6804 1 11 . 1 1 2 2 ALA H H 2 8.065 8.065 8.478 -0.413 17822 6805 1 11 . 1 1 3 3 ASP N N 3 119.188 119.188 122.176 -2.988 17822 6806 1 11 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.651 -0.041 17822 6807 1 11 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.620 0.263 17822 6808 1 11 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.495 -0.685 17822 6809 1 11 . 1 1 3 3 ASP H H 3 8.203 8.203 8.678 -0.475 17822 6810 1 11 . 1 1 4 4 ASP N N 4 121.607 121.607 122.916 -1.309 17822 6811 1 11 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.632 -0.260 17822 6812 1 11 . 1 1 4 4 ASP CA C 4 51.761 51.761 53.458 -1.697 17822 6813 1 11 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.440 -0.530 17822 6814 1 11 . 1 1 4 4 ASP H H 4 7.954 7.954 8.059 -0.105 17822 6815 1 11 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.352 -0.100 17822 6816 1 11 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.980 -1.612 17822 6817 1 11 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.208 -0.349 17822 6818 1 11 . 1 1 6 6 SER N N 6 115.864 115.864 116.040 -0.176 17822 6819 1 11 . 1 1 6 6 SER HA H 6 4.252 4.252 4.215 0.037 17822 6820 1 11 . 1 1 6 6 SER CA C 6 58.870 58.870 61.407 -2.537 17822 6821 1 11 . 1 1 6 6 SER CB C 6 63.368 63.368 62.847 0.520 17822 6822 1 11 . 1 1 6 6 SER H H 6 8.310 8.310 8.434 -0.124 17822 6823 1 11 . 1 1 7 7 ALA N N 7 125.955 125.955 123.577 2.378 17822 6824 1 11 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.177 -0.178 17822 6825 1 11 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.138 -0.829 17822 6826 1 11 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.947 0.604 17822 6827 1 11 . 1 1 7 7 ALA H H 7 7.854 7.854 8.128 -0.274 17822 6828 1 11 . 1 1 8 8 ALA N N 8 122.354 122.354 121.120 1.234 17822 6829 1 11 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.991 -0.194 17822 6830 1 11 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.124 -1.529 17822 6831 1 11 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.437 0.015 17822 6832 1 11 . 1 1 8 8 ALA H H 8 7.910 7.910 8.189 -0.279 17822 6833 1 11 . 1 1 9 9 ASP N N 9 119.431 119.431 118.058 1.373 17822 6834 1 11 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.388 -0.069 17822 6835 1 11 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.886 -2.743 17822 6836 1 11 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.637 -0.014 17822 6837 1 11 . 1 1 9 9 ASP H H 9 7.970 7.970 7.984 -0.014 17822 6838 1 11 . 1 1 10 10 ARG N N 10 122.263 122.263 120.496 1.767 17822 6839 1 11 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.290 -0.454 17822 6840 1 11 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.818 -1.037 17822 6841 1 11 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.076 -0.195 17822 6842 1 11 . 1 1 10 10 ARG H H 10 8.036 8.036 7.876 0.160 17822 6843 1 11 . 1 1 11 11 ASN N N 11 118.325 118.325 117.229 1.096 17822 6844 1 11 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.470 -0.167 17822 6845 1 11 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.941 -0.798 17822 6846 1 11 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.552 -0.750 17822 6847 1 11 . 1 1 11 11 ASN H H 11 8.077 8.077 7.748 0.329 17822 6848 1 11 . 1 1 12 12 VAL N N 12 122.103 122.103 121.521 0.582 17822 6849 1 11 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.613 1.002 17822 6850 1 11 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.437 -0.816 17822 6851 1 11 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.521 -0.035 17822 6852 1 11 . 1 1 12 12 VAL H H 12 7.741 7.741 7.629 0.112 17822 6853 1 11 . 1 1 13 13 GLU N N 13 120.785 120.785 119.424 1.361 17822 6854 1 11 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.850 -0.616 17822 6855 1 11 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.401 5.660 17822 6856 1 11 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.836 0.932 17822 6857 1 11 . 1 1 13 13 GLU H H 13 7.751 7.751 7.937 -0.186 17822 6858 1 11 . 1 1 14 14 ILE N N 14 120.199 120.199 120.247 -0.048 17822 6859 1 11 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.615 0.173 17822 6860 1 11 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.591 -5.409 17822 6861 1 11 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.376 -1.382 17822 6862 1 11 . 1 1 14 14 ILE H H 14 7.650 7.650 7.167 0.483 17822 6863 1 11 . 1 1 15 15 TRP N N 15 120.828 120.828 117.598 3.230 17822 6864 1 11 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.632 -0.579 17822 6865 1 11 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.581 3.009 17822 6866 1 11 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.702 -0.258 17822 6867 1 11 . 1 1 15 15 TRP H H 15 7.759 7.759 7.157 0.602 17822 6868 1 11 . 1 1 16 16 LYS N N 16 119.063 119.063 122.255 -3.192 17822 6869 1 11 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.166 -0.676 17822 6870 1 11 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.145 1.823 17822 6871 1 11 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.047 0.132 17822 6872 1 11 . 1 1 16 16 LYS H H 16 7.963 7.963 7.732 0.231 17822 6873 1 11 . 1 1 17 17 ILE N N 17 120.609 120.609 119.481 1.128 17822 6874 1 11 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.850 -0.239 17822 6875 1 11 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.371 -0.915 17822 6876 1 11 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.503 -1.205 17822 6877 1 11 . 1 1 17 17 ILE H H 17 7.630 7.630 8.474 -0.844 17822 6878 1 11 . 1 1 18 18 LYS N N 18 121.687 121.687 119.041 2.646 17822 6879 1 11 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.018 -0.435 17822 6880 1 11 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.513 1.417 17822 6881 1 11 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.540 0.543 17822 6882 1 11 . 1 1 18 18 LYS H H 18 8.297 8.297 7.830 0.467 17822 6883 1 11 . 1 1 19 19 LYS N N 19 119.253 119.253 118.411 0.842 17822 6884 1 11 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.159 -0.541 17822 6885 1 11 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.506 0.479 17822 6886 1 11 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.382 -0.523 17822 6887 1 11 . 1 1 19 19 LYS H H 19 7.685 7.685 7.697 -0.012 17822 6888 1 11 . 1 1 20 20 LEU N N 20 123.001 123.001 121.869 1.132 17822 6889 1 11 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.060 -0.235 17822 6890 1 11 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.703 0.077 17822 6891 1 11 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.813 -0.402 17822 6892 1 11 . 1 1 20 20 LEU H H 20 7.509 7.509 7.308 0.201 17822 6893 1 11 . 1 1 21 21 ILE N N 21 119.392 119.392 119.558 -0.166 17822 6894 1 11 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.784 -0.714 17822 6895 1 11 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.529 2.966 17822 6896 1 11 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.024 1.179 17822 6897 1 11 . 1 1 21 21 ILE H H 21 8.474 8.474 8.292 0.182 17822 6898 1 11 . 1 1 22 22 LYS N N 22 117.524 117.524 119.253 -1.729 17822 6899 1 11 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.107 -0.301 17822 6900 1 11 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.725 0.088 17822 6901 1 11 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.027 -0.140 17822 6902 1 11 . 1 1 22 22 LYS H H 22 7.300 7.300 7.593 -0.293 17822 6903 1 11 . 1 1 23 23 SER N N 23 114.880 114.880 114.905 -0.025 17822 6904 1 11 . 1 1 23 23 SER HA H 23 4.008 4.008 4.348 -0.340 17822 6905 1 11 . 1 1 23 23 SER CA C 23 61.106 61.106 60.594 0.512 17822 6906 1 11 . 1 1 23 23 SER CB C 23 62.587 62.587 63.487 -0.900 17822 6907 1 11 . 1 1 23 23 SER H H 23 7.653 7.653 7.501 0.152 17822 6908 1 11 . 1 1 24 24 LEU N N 24 121.607 121.607 122.124 -0.517 17822 6909 1 11 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.396 0.476 17822 6910 1 11 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.893 -1.030 17822 6911 1 11 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.381 -0.092 17822 6912 1 11 . 1 1 24 24 LEU H H 24 8.158 8.158 7.936 0.222 17822 6913 1 11 . 1 1 25 25 GLU N N 25 119.392 119.392 117.679 1.713 17822 6914 1 11 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.157 -0.276 17822 6915 1 11 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.711 -0.128 17822 6916 1 11 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.392 -0.212 17822 6917 1 11 . 1 1 25 25 GLU H H 25 8.344 8.344 7.751 0.593 17822 6918 1 11 . 1 1 26 26 ALA N N 26 119.228 119.228 120.364 -1.136 17822 6919 1 11 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.360 -0.243 17822 6920 1 11 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.961 0.029 17822 6921 1 11 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.256 -0.303 17822 6922 1 11 . 1 1 26 26 ALA H H 26 7.154 7.154 7.169 -0.015 17822 6923 1 11 . 1 1 27 27 ALA N N 27 121.417 121.417 123.294 -1.877 17822 6924 1 11 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.200 -0.130 17822 6925 1 11 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.214 -0.746 17822 6926 1 11 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.239 0.064 17822 6927 1 11 . 1 1 27 27 ALA H H 27 6.833 6.833 7.656 -0.823 17822 6928 1 11 . 1 1 28 28 ARG N N 28 123.986 123.986 122.097 1.889 17822 6929 1 11 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.473 0.023 17822 6930 1 11 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.169 -1.000 17822 6931 1 11 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.593 0.368 17822 6932 1 11 . 1 1 28 28 ARG H H 28 8.679 8.679 8.087 0.592 17822 6933 1 11 . 1 1 29 29 GLY N N 29 109.466 109.466 106.923 2.543 17822 6934 1 11 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.776 -0.387 17822 6935 1 11 . 1 1 29 29 GLY H H 29 8.091 8.091 8.201 -0.110 17822 6936 1 11 . 1 1 30 30 ASN N N 30 120.048 120.048 116.989 3.059 17822 6937 1 11 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.632 0.023 17822 6938 1 11 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.009 -1.380 17822 6939 1 11 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.179 -1.377 17822 6940 1 11 . 1 1 30 30 ASN H H 30 8.419 8.419 8.619 -0.200 17822 6941 1 11 . 1 1 31 31 GLY N N 31 110.450 110.450 105.895 4.555 17822 6942 1 11 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.546 -0.860 17822 6943 1 11 . 1 1 31 31 GLY H H 31 8.071 8.071 8.584 -0.513 17822 6944 1 11 . 1 1 32 32 THR N N 32 112.929 112.929 116.601 -3.672 17822 6945 1 11 . 1 1 32 32 THR HA H 32 4.993 4.993 4.677 0.316 17822 6946 1 11 . 1 1 32 32 THR CA C 32 59.598 59.598 60.202 -0.604 17822 6947 1 11 . 1 1 32 32 THR H H 32 7.747 7.747 7.642 0.105 17822 6948 1 11 . 1 1 33 33 SER N N 33 115.208 115.208 115.296 -0.088 17822 6949 1 11 . 1 1 33 33 SER HA H 33 4.335 4.335 4.666 -0.331 17822 6950 1 11 . 1 1 33 33 SER CA C 33 58.067 58.067 57.460 0.607 17822 6951 1 11 . 1 1 33 33 SER CB C 33 64.572 64.572 64.969 -0.397 17822 6952 1 11 . 1 1 33 33 SER H H 33 7.701 7.701 8.409 -0.708 17822 6953 1 11 . 1 1 34 34 MET N N 34 120.869 120.869 120.316 0.553 17822 6954 1 11 . 1 1 34 34 MET HA H 34 4.666 4.666 4.879 -0.213 17822 6955 1 11 . 1 1 34 34 MET CA C 34 54.799 54.799 53.320 1.479 17822 6956 1 11 . 1 1 34 34 MET CB C 34 34.700 34.700 34.171 0.529 17822 6957 1 11 . 1 1 34 34 MET H H 34 8.679 8.679 8.254 0.425 17822 6958 1 11 . 1 1 35 35 ILE N N 35 126.806 126.806 120.124 6.682 17822 6959 1 11 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.240 1.930 17822 6960 1 11 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.156 -0.254 17822 6961 1 11 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.245 -1.572 17822 6962 1 11 . 1 1 35 35 ILE H H 35 9.562 9.562 8.022 1.540 17822 6963 1 11 . 1 1 36 36 SER N N 36 122.217 122.217 121.421 0.796 17822 6964 1 11 . 1 1 36 36 SER HA H 36 4.968 4.968 5.133 -0.165 17822 6965 1 11 . 1 1 36 36 SER CA C 36 56.602 56.602 57.474 -0.872 17822 6966 1 11 . 1 1 36 36 SER CB C 36 64.572 64.572 64.391 0.180 17822 6967 1 11 . 1 1 36 36 SER H H 36 8.422 8.422 8.141 0.281 17822 6968 1 11 . 1 1 37 37 LEU N N 37 128.938 128.938 124.265 4.673 17822 6969 1 11 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.873 0.108 17822 6970 1 11 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.459 0.022 17822 6971 1 11 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.846 -0.470 17822 6972 1 11 . 1 1 37 37 LEU H H 37 8.916 8.916 7.759 1.157 17822 6973 1 11 . 1 1 38 38 ILE N N 38 128.296 128.296 115.496 12.800 17822 6974 1 11 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.976 -0.004 17822 6975 1 11 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.586 0.259 17822 6976 1 11 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.074 -2.069 17822 6977 1 11 . 1 1 38 38 ILE H H 38 8.740 8.740 8.387 0.353 17822 6978 1 11 . 1 1 39 39 ILE N N 39 125.429 125.429 123.452 1.977 17822 6979 1 11 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.600 -0.201 17822 6980 1 11 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.622 -0.899 17822 6981 1 11 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.282 2.379 17822 6982 1 11 . 1 1 39 39 ILE H H 39 8.960 8.960 8.671 0.289 17822 6983 1 11 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.780 -0.373 17822 6984 1 11 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.534 5.648 17822 6985 1 11 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.214 0.158 17822 6986 1 11 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.519 -0.698 17822 6987 1 11 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.409 3.406 17822 6988 1 11 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.781 0.396 17822 6989 1 11 . 1 1 42 42 LYS N N 42 113.683 113.683 117.798 -4.115 17822 6990 1 11 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.456 -0.500 17822 6991 1 11 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.887 0.919 17822 6992 1 11 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.028 -1.846 17822 6993 1 11 . 1 1 42 42 LYS H H 42 8.004 8.004 8.471 -0.467 17822 6994 1 11 . 1 1 43 43 ASP N N 43 121.628 121.628 118.061 3.567 17822 6995 1 11 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.789 -0.354 17822 6996 1 11 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.453 -0.947 17822 6997 1 11 . 1 1 43 43 ASP CB C 43 42.215 42.215 44.040 -1.825 17822 6998 1 11 . 1 1 43 43 ASP H H 43 7.290 7.290 7.442 -0.152 17822 6999 1 11 . 1 1 44 44 GLN N N 44 117.587 117.587 118.265 -0.678 17822 7000 1 11 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.627 -0.090 17822 7001 1 11 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.426 -0.487 17822 7002 1 11 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.178 0.366 17822 7003 1 11 . 1 1 44 44 GLN H H 44 9.610 9.610 8.428 1.182 17822 7004 1 11 . 1 1 45 45 ILE N N 45 126.939 126.939 122.652 4.287 17822 7005 1 11 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.669 -0.368 17822 7006 1 11 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.365 -0.082 17822 7007 1 11 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.379 -1.746 17822 7008 1 11 . 1 1 45 45 ILE H H 45 8.806 8.806 8.848 -0.042 17822 7009 1 11 . 1 1 46 46 SER N N 46 113.239 113.239 114.831 -1.592 17822 7010 1 11 . 1 1 46 46 SER HA H 46 3.931 3.931 4.177 -0.246 17822 7011 1 11 . 1 1 46 46 SER CA C 46 60.762 60.762 61.721 -0.959 17822 7012 1 11 . 1 1 46 46 SER CB C 46 61.464 61.464 62.416 -0.952 17822 7013 1 11 . 1 1 46 46 SER H H 46 8.476 8.476 8.194 0.282 17822 7014 1 11 . 1 1 47 47 ARG N N 47 124.530 124.530 122.519 2.011 17822 7015 1 11 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.020 -0.229 17822 7016 1 11 . 1 1 47 47 ARG CA C 47 58.927 58.927 59.028 -0.101 17822 7017 1 11 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.612 0.971 17822 7018 1 11 . 1 1 47 47 ARG H H 47 6.731 6.731 7.590 -0.859 17822 7019 1 11 . 1 1 48 48 VAL N N 48 121.935 121.935 119.340 2.595 17822 7020 1 11 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.668 -0.521 17822 7021 1 11 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.770 -0.562 17822 7022 1 11 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.476 -0.008 17822 7023 1 11 . 1 1 48 48 VAL H H 48 7.257 7.257 7.574 -0.317 17822 7024 1 11 . 1 1 49 49 ALA N N 49 122.345 122.345 119.403 2.942 17822 7025 1 11 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.010 -0.128 17822 7026 1 11 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.925 0.218 17822 7027 1 11 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.259 -0.609 17822 7028 1 11 . 1 1 49 49 ALA H H 49 8.864 8.864 7.721 1.143 17822 7029 1 11 . 1 1 50 50 LYS N N 50 120.376 120.376 119.858 0.518 17822 7030 1 11 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.173 -0.270 17822 7031 1 11 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.703 0.224 17822 7032 1 11 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.495 -0.909 17822 7033 1 11 . 1 1 50 50 LYS H H 50 7.380 7.380 7.822 -0.442 17822 7034 1 11 . 1 1 51 51 MET N N 51 121.641 121.641 118.069 3.572 17822 7035 1 11 . 1 1 51 51 MET HA H 51 3.935 3.935 4.149 -0.214 17822 7036 1 11 . 1 1 51 51 MET CA C 51 58.927 58.927 58.666 0.261 17822 7037 1 11 . 1 1 51 51 MET CB C 51 30.734 30.734 32.087 -1.353 17822 7038 1 11 . 1 1 51 51 MET H H 51 7.508 7.508 8.418 -0.910 17822 7039 1 11 . 1 1 52 52 LEU N N 52 120.125 120.125 120.083 0.042 17822 7040 1 11 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.233 -0.576 17822 7041 1 11 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.117 0.320 17822 7042 1 11 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.589 -0.035 17822 7043 1 11 . 1 1 52 52 LEU H H 52 8.203 8.203 7.829 0.374 17822 7044 1 11 . 1 1 53 53 ALA N N 53 123.639 123.639 122.153 1.486 17822 7045 1 11 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.871 0.074 17822 7046 1 11 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.376 -0.577 17822 7047 1 11 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.766 -0.517 17822 7048 1 11 . 1 1 53 53 ALA H H 53 7.775 7.775 7.503 0.272 17822 7049 1 11 . 1 1 54 54 ASP N N 54 123.165 123.165 117.981 5.184 17822 7050 1 11 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.421 -0.092 17822 7051 1 11 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.978 0.229 17822 7052 1 11 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.872 -1.767 17822 7053 1 11 . 1 1 54 54 ASP H H 54 8.156 8.156 7.713 0.443 17822 7054 1 11 . 1 1 55 55 GLU N N 55 122.017 122.017 119.403 2.614 17822 7055 1 11 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.034 -0.158 17822 7056 1 11 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.939 -0.356 17822 7057 1 11 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.416 -0.397 17822 7058 1 11 . 1 1 55 55 GLU H H 55 8.221 8.221 7.624 0.597 17822 7059 1 11 . 1 1 56 56 PHE N N 56 123.334 123.334 121.227 2.107 17822 7060 1 11 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.293 0.388 17822 7061 1 11 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.240 0.275 17822 7062 1 11 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.950 0.262 17822 7063 1 11 . 1 1 56 56 PHE H H 56 8.711 8.711 8.308 0.403 17822 7064 1 11 . 1 1 57 57 GLY N N 57 107.156 107.156 105.955 1.201 17822 7065 1 11 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.680 -0.197 17822 7066 1 11 . 1 1 57 57 GLY H H 57 7.985 7.985 8.024 -0.039 17822 7067 1 11 . 1 1 58 58 THR N N 58 118.940 118.940 116.610 2.330 17822 7068 1 11 . 1 1 58 58 THR HA H 58 4.062 4.062 4.110 -0.048 17822 7069 1 11 . 1 1 58 58 THR CA C 58 65.406 65.406 65.624 -0.218 17822 7070 1 11 . 1 1 58 58 THR CB C 58 68.408 68.408 68.370 0.038 17822 7071 1 11 . 1 1 58 58 THR H H 58 7.992 7.992 7.714 0.278 17822 7072 1 11 . 1 1 59 59 ALA N N 59 126.365 126.365 124.022 2.343 17822 7073 1 11 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.225 -0.297 17822 7074 1 11 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.666 -0.727 17822 7075 1 11 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.841 0.310 17822 7076 1 11 . 1 1 59 59 ALA H H 59 8.351 8.351 7.601 0.750 17822 7077 1 11 . 1 1 60 60 SER N N 60 112.435 112.435 112.569 -0.134 17822 7078 1 11 . 1 1 60 60 SER HA H 60 4.632 4.632 4.157 0.475 17822 7079 1 11 . 1 1 60 60 SER CA C 60 61.220 61.220 59.871 1.349 17822 7080 1 11 . 1 1 60 60 SER CB C 60 62.686 62.686 62.874 -0.188 17822 7081 1 11 . 1 1 60 60 SER H H 60 7.459 7.459 7.663 -0.204 17822 7082 1 11 . 1 1 61 61 ASN N N 61 116.971 116.971 119.050 -2.079 17822 7083 1 11 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.696 -0.183 17822 7084 1 11 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.813 -0.791 17822 7085 1 11 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.233 -0.227 17822 7086 1 11 . 1 1 61 61 ASN H H 61 7.372 7.372 7.445 -0.073 17822 7087 1 11 . 1 1 62 62 ILE N N 62 123.980 123.980 121.690 2.290 17822 7088 1 11 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.847 -0.211 17822 7089 1 11 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.369 1.059 17822 7090 1 11 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.974 -0.544 17822 7091 1 11 . 1 1 62 62 ILE H H 62 7.461 7.461 7.358 0.103 17822 7092 1 11 . 1 1 63 63 LYS N N 63 128.982 128.982 125.466 3.516 17822 7093 1 11 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.127 -0.330 17822 7094 1 11 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.850 0.848 17822 7095 1 11 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.565 0.141 17822 7096 1 11 . 1 1 63 63 LYS H H 63 8.417 8.417 8.316 0.101 17822 7097 1 11 . 1 1 64 64 SER N N 64 114.306 114.306 118.380 -4.074 17822 7098 1 11 . 1 1 64 64 SER HA H 64 4.616 4.616 4.531 0.085 17822 7099 1 11 . 1 1 64 64 SER CA C 64 56.749 56.749 57.949 -1.200 17822 7100 1 11 . 1 1 64 64 SER CB C 64 62.962 62.962 63.087 -0.125 17822 7101 1 11 . 1 1 64 64 SER H H 64 7.599 7.599 8.019 -0.420 17822 7102 1 11 . 1 1 65 65 ARG N N 65 132.125 132.125 128.431 3.694 17822 7103 1 11 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.893 0.413 17822 7104 1 11 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.825 0.077 17822 7105 1 11 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.929 3.169 17822 7106 1 11 . 1 1 65 65 ARG H H 65 8.689 8.689 8.679 0.010 17822 7107 1 11 . 1 1 66 66 VAL N N 66 116.947 116.947 118.922 -1.975 17822 7108 1 11 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.564 -0.013 17822 7109 1 11 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.798 -1.335 17822 7110 1 11 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.268 0.318 17822 7111 1 11 . 1 1 66 66 VAL H H 66 7.946 7.946 8.224 -0.278 17822 7112 1 11 . 1 1 67 67 ASN N N 67 119.499 119.499 117.139 2.360 17822 7113 1 11 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.328 0.084 17822 7114 1 11 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.190 -0.817 17822 7115 1 11 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.262 -0.226 17822 7116 1 11 . 1 1 67 67 ASN H H 67 7.386 7.386 7.737 -0.351 17822 7117 1 11 . 1 1 68 68 ARG N N 68 122.132 122.132 121.638 0.494 17822 7118 1 11 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.925 -0.331 17822 7119 1 11 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.387 0.411 17822 7120 1 11 . 1 1 68 68 ARG CB C 68 30.559 30.559 29.952 0.607 17822 7121 1 11 . 1 1 68 68 ARG H H 68 8.566 8.566 7.742 0.824 17822 7122 1 11 . 1 1 69 69 LEU N N 69 116.564 116.564 118.118 -1.554 17822 7123 1 11 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.196 -0.413 17822 7124 1 11 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.200 0.695 17822 7125 1 11 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.540 0.069 17822 7126 1 11 . 1 1 69 69 LEU H H 69 8.167 8.167 8.652 -0.485 17822 7127 1 11 . 1 1 70 70 SER N N 70 116.805 116.805 114.705 2.100 17822 7128 1 11 . 1 1 70 70 SER HA H 70 4.132 4.132 4.316 -0.184 17822 7129 1 11 . 1 1 70 70 SER CA C 70 61.450 61.450 61.352 0.098 17822 7130 1 11 . 1 1 70 70 SER CB C 70 62.635 62.635 63.138 -0.503 17822 7131 1 11 . 1 1 70 70 SER H H 70 7.589 7.589 7.866 -0.277 17822 7132 1 11 . 1 1 71 71 VAL N N 71 124.991 124.991 122.356 2.635 17822 7133 1 11 . 1 1 71 71 VAL HA H 71 3.483 3.483 4.028 -0.545 17822 7134 1 11 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.273 2.566 17822 7135 1 11 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.849 -0.200 17822 7136 1 11 . 1 1 71 71 VAL H H 71 7.934 7.934 7.846 0.088 17822 7137 1 11 . 1 1 72 72 LEU N N 72 118.680 118.680 121.290 -2.610 17822 7138 1 11 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.289 -0.568 17822 7139 1 11 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.815 0.424 17822 7140 1 11 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.320 -1.022 17822 7141 1 11 . 1 1 72 72 LEU H H 72 8.354 8.354 8.734 -0.380 17822 7142 1 11 . 1 1 73 73 GLY N N 73 106.674 106.674 105.991 0.683 17822 7143 1 11 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.933 0.012 17822 7144 1 11 . 1 1 73 73 GLY H H 73 8.052 8.052 8.036 0.016 17822 7145 1 11 . 1 1 74 74 ALA N N 74 127.313 127.313 124.142 3.171 17822 7146 1 11 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.040 0.113 17822 7147 1 11 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.675 0.698 17822 7148 1 11 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.717 -0.911 17822 7149 1 11 . 1 1 74 74 ALA H H 74 7.784 7.784 7.446 0.338 17822 7150 1 11 . 1 1 75 75 ILE N N 75 119.310 119.310 118.779 0.531 17822 7151 1 11 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.651 -0.289 17822 7152 1 11 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.488 1.122 17822 7153 1 11 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.146 0.278 17822 7154 1 11 . 1 1 75 75 ILE H H 75 8.638 8.638 7.770 0.868 17822 7155 1 11 . 1 1 76 76 THR N N 76 116.205 116.205 112.021 4.184 17822 7156 1 11 . 1 1 76 76 THR HA H 76 4.227 4.227 3.915 0.312 17822 7157 1 11 . 1 1 76 76 THR CA C 76 66.782 66.782 66.557 0.225 17822 7158 1 11 . 1 1 76 76 THR CB C 76 68.478 68.478 68.311 0.166 17822 7159 1 11 . 1 1 76 76 THR H H 76 8.317 8.317 7.940 0.377 17822 7160 1 11 . 1 1 77 77 SER N N 77 118.405 118.405 116.943 1.462 17822 7161 1 11 . 1 1 77 77 SER HA H 77 4.173 4.173 4.295 -0.122 17822 7162 1 11 . 1 1 77 77 SER CA C 77 62.482 62.482 60.950 1.532 17822 7163 1 11 . 1 1 77 77 SER CB C 77 63.484 63.484 62.988 0.496 17822 7164 1 11 . 1 1 77 77 SER H H 77 7.843 7.843 7.646 0.197 17822 7165 1 11 . 1 1 78 78 VAL N N 78 124.171 124.171 123.084 1.087 17822 7166 1 11 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.711 -0.138 17822 7167 1 11 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.650 0.074 17822 7168 1 11 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.958 -0.974 17822 7169 1 11 . 1 1 78 78 VAL H H 78 8.153 8.153 7.856 0.297 17822 7170 1 11 . 1 1 79 79 GLN N N 79 120.008 120.008 118.516 1.492 17822 7171 1 11 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.830 0.099 17822 7172 1 11 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.372 0.014 17822 7173 1 11 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.420 0.359 17822 7174 1 11 . 1 1 79 79 GLN H H 79 8.688 8.688 8.487 0.201 17822 7175 1 11 . 1 1 80 80 GLN N N 80 116.870 116.870 118.156 -1.286 17822 7176 1 11 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.028 -0.253 17822 7177 1 11 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.298 -0.772 17822 7178 1 11 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.316 -0.339 17822 7179 1 11 . 1 1 80 80 GLN H H 80 7.850 7.850 7.820 0.030 17822 7180 1 11 . 1 1 81 81 ARG N N 81 119.074 119.074 120.105 -1.031 17822 7181 1 11 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.092 -0.100 17822 7182 1 11 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.971 -2.337 17822 7183 1 11 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.677 -1.355 17822 7184 1 11 . 1 1 81 81 ARG H H 81 7.520 7.520 7.653 -0.133 17822 7185 1 11 . 1 1 82 82 LEU N N 82 117.238 117.238 117.798 -0.560 17822 7186 1 11 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.334 -0.443 17822 7187 1 11 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.693 -0.256 17822 7188 1 11 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.071 -0.261 17822 7189 1 11 . 1 1 82 82 LEU H H 82 8.189 8.189 7.870 0.319 17822 7190 1 11 . 1 1 83 83 LYS N N 83 114.899 114.899 120.022 -5.123 17822 7191 1 11 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.094 -0.149 17822 7192 1 11 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.989 -1.323 17822 7193 1 11 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.088 -0.101 17822 7194 1 11 . 1 1 83 83 LYS H H 83 7.064 7.064 7.761 -0.697 17822 7195 1 11 . 1 1 84 84 LEU N N 84 117.840 117.840 118.216 -0.376 17822 7196 1 11 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.117 -0.244 17822 7197 1 11 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.220 -0.905 17822 7198 1 11 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.588 -0.659 17822 7199 1 11 . 1 1 84 84 LEU H H 84 7.271 7.271 7.681 -0.410 17822 7200 1 11 . 1 1 85 85 TYR N N 85 119.720 119.720 115.189 4.531 17822 7201 1 11 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.407 -0.152 17822 7202 1 11 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.362 -1.296 17822 7203 1 11 . 1 1 85 85 TYR CB C 85 39.068 39.068 39.524 -0.456 17822 7204 1 11 . 1 1 85 85 TYR H H 85 7.633 7.633 7.239 0.394 17822 7205 1 11 . 1 1 86 86 ASN N N 86 119.638 119.638 115.066 4.572 17822 7206 1 11 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.402 0.072 17822 7207 1 11 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.331 -0.449 17822 7208 1 11 . 1 1 86 86 ASN CB C 86 38.742 38.742 37.999 0.743 17822 7209 1 11 . 1 1 86 86 ASN H H 86 8.622 8.622 8.669 -0.047 17822 7210 1 11 . 1 1 87 87 LYS N N 87 116.321 116.321 117.670 -1.349 17822 7211 1 11 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.563 -0.065 17822 7212 1 11 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.619 -0.450 17822 7213 1 11 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.912 -1.239 17822 7214 1 11 . 1 1 87 87 LYS H H 87 7.631 7.631 7.921 -0.290 17822 7215 1 11 . 1 1 88 88 VAL N N 88 125.141 125.141 118.568 6.573 17822 7216 1 11 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.493 -0.871 17822 7217 1 11 . 1 1 88 88 VAL CA C 88 61.966 61.966 57.088 4.878 17822 7218 1 11 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.368 1.920 17822 7219 1 11 . 1 1 88 88 VAL H H 88 8.357 8.357 8.380 -0.023 17822 7220 1 11 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.748 -0.495 17822 7221 1 11 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.502 1.838 17822 7222 1 11 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.001 0.553 17822 7223 1 11 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.214 0.286 17822 7224 1 11 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.145 0.834 17822 7225 1 11 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.046 0.142 17822 7226 1 11 . 1 1 91 91 ASN N N 91 112.735 112.735 115.701 -2.966 17822 7227 1 11 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.452 0.203 17822 7228 1 11 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.278 -1.403 17822 7229 1 11 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.117 -0.674 17822 7230 1 11 . 1 1 91 91 ASN H H 91 9.163 9.163 8.325 0.838 17822 7231 1 11 . 1 1 92 92 GLY N N 92 108.893 108.893 106.679 2.214 17822 7232 1 11 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.837 -1.396 17822 7233 1 11 . 1 1 92 92 GLY H H 92 7.898 7.898 7.131 0.767 17822 7234 1 11 . 1 1 93 93 LEU N N 93 117.751 117.751 126.883 -9.132 17822 7235 1 11 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.182 0.142 17822 7236 1 11 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.568 -0.801 17822 7237 1 11 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.243 5.284 17822 7238 1 11 . 1 1 93 93 LEU H H 93 8.508 8.508 7.672 0.836 17822 7239 1 11 . 1 1 94 94 VAL N N 94 126.296 126.296 127.780 -1.484 17822 7240 1 11 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.805 -0.455 17822 7241 1 11 . 1 1 94 94 VAL CA C 94 60.475 60.475 60.791 -0.316 17822 7242 1 11 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.713 -0.545 17822 7243 1 11 . 1 1 94 94 VAL H H 94 8.168 8.168 7.957 0.211 17822 7244 1 11 . 1 1 95 95 VAL N N 95 125.531 125.531 117.535 7.996 17822 7245 1 11 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.023 -0.883 17822 7246 1 11 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.895 0.408 17822 7247 1 11 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.753 0.442 17822 7248 1 11 . 1 1 95 95 VAL H H 95 8.744 8.744 8.503 0.241 17822 7249 1 11 . 1 1 96 96 TYR N N 96 123.577 123.577 122.961 0.616 17822 7250 1 11 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.645 -0.313 17822 7251 1 11 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.828 0.749 17822 7252 1 11 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.911 -1.291 17822 7253 1 11 . 1 1 96 96 TYR H H 96 8.698 8.698 9.210 -0.512 17822 7254 1 11 . 1 1 97 97 CYS N N 97 120.144 120.144 122.587 -2.443 17822 7255 1 11 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.801 -0.253 17822 7256 1 11 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.910 -1.333 17822 7257 1 11 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.858 0.928 17822 7258 1 11 . 1 1 97 97 CYS H H 97 8.796 8.796 8.371 0.425 17822 7259 1 11 . 1 1 98 98 GLY N N 98 112.534 112.534 112.719 -0.185 17822 7260 1 11 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.176 0.622 17822 7261 1 11 . 1 1 98 98 GLY H H 98 8.776 8.776 8.532 0.244 17822 7262 1 11 . 1 1 99 99 THR N N 99 119.083 119.083 116.742 2.341 17822 7263 1 11 . 1 1 99 99 THR HA H 99 4.821 4.821 5.248 -0.427 17822 7264 1 11 . 1 1 99 99 THR CA C 99 62.294 62.294 61.535 0.758 17822 7265 1 11 . 1 1 99 99 THR CB C 99 69.781 69.781 70.658 -0.877 17822 7266 1 11 . 1 1 99 99 THR H H 99 8.168 8.168 8.323 -0.155 17822 7267 1 11 . 1 1 100 100 ILE N N 100 122.250 122.250 123.914 -1.664 17822 7268 1 11 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.606 -0.029 17822 7269 1 11 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.463 0.120 17822 7270 1 11 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.332 0.177 17822 7271 1 11 . 1 1 100 100 ILE H H 100 8.838 8.838 8.722 0.116 17822 7272 1 11 . 1 1 101 101 VAL N N 101 120.622 120.622 124.461 -3.839 17822 7273 1 11 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.848 -0.198 17822 7274 1 11 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.307 1.283 17822 7275 1 11 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.697 -1.808 17822 7276 1 11 . 1 1 101 101 VAL H H 101 8.310 8.310 8.342 -0.032 17822 7277 1 11 . 1 1 102 102 THR N N 102 118.661 118.661 121.167 -2.506 17822 7278 1 11 . 1 1 102 102 THR HA H 102 4.658 4.658 4.675 -0.017 17822 7279 1 11 . 1 1 102 102 THR CA C 102 60.590 60.590 59.973 0.617 17822 7280 1 11 . 1 1 102 102 THR CB C 102 71.189 71.189 70.601 0.588 17822 7281 1 11 . 1 1 102 102 THR H H 102 8.867 8.867 8.146 0.721 17822 7282 1 11 . 1 1 103 103 GLU N N 103 121.906 121.906 121.759 0.147 17822 7283 1 11 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.046 -0.128 17822 7284 1 11 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.899 0.028 17822 7285 1 11 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.262 -0.332 17822 7286 1 11 . 1 1 103 103 GLU H H 103 9.243 9.243 8.751 0.492 17822 7287 1 11 . 1 1 104 104 GLU N N 104 116.013 116.013 119.001 -2.988 17822 7288 1 11 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.145 0.029 17822 7289 1 11 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.099 0.134 17822 7290 1 11 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.151 0.317 17822 7291 1 11 . 1 1 104 104 GLU H H 104 7.716 7.716 7.779 -0.062 17822 7292 1 11 . 1 1 105 105 GLY N N 105 109.001 109.001 107.661 1.340 17822 7293 1 11 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.301 -0.596 17822 7294 1 11 . 1 1 105 105 GLY H H 105 8.045 8.045 7.975 0.070 17822 7295 1 11 . 1 1 106 106 LYS N N 106 119.559 119.559 118.982 0.577 17822 7296 1 11 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.661 -0.330 17822 7297 1 11 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.414 0.041 17822 7298 1 11 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.737 -0.315 17822 7299 1 11 . 1 1 106 106 LYS H H 106 6.924 6.924 7.545 -0.621 17822 7300 1 11 . 1 1 107 107 GLU N N 107 121.771 121.771 124.236 -2.465 17822 7301 1 11 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.331 0.623 17822 7302 1 11 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.578 -0.976 17822 7303 1 11 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.648 0.637 17822 7304 1 11 . 1 1 107 107 GLU H H 107 8.371 8.371 8.730 -0.359 17822 7305 1 11 . 1 1 108 108 LYS N N 108 125.216 125.216 121.592 3.624 17822 7306 1 11 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.410 0.030 17822 7307 1 11 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.526 -0.440 17822 7308 1 11 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.601 1.314 17822 7309 1 11 . 1 1 108 108 LYS H H 108 8.946 8.946 8.028 0.918 17822 7310 1 11 . 1 1 109 109 LYS N N 109 125.136 125.136 129.283 -4.147 17822 7311 1 11 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.584 0.052 17822 7312 1 11 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.143 -0.369 17822 7313 1 11 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.385 0.415 17822 7314 1 11 . 1 1 109 109 LYS H H 109 8.548 8.548 8.558 -0.010 17822 7315 1 11 . 1 1 110 110 VAL N N 110 125.626 125.626 127.124 -1.498 17822 7316 1 11 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.077 -0.000 17822 7317 1 11 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.127 -0.562 17822 7318 1 11 . 1 1 110 110 VAL CB C 110 33.892 33.892 33.426 0.466 17822 7319 1 11 . 1 1 110 110 VAL H H 110 8.850 8.850 8.367 0.483 17822 7320 1 11 . 1 1 111 111 ASN N N 111 126.837 126.837 127.017 -0.180 17822 7321 1 11 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.691 -0.403 17822 7322 1 11 . 1 1 111 111 ASN CA C 111 53.309 53.309 51.883 1.426 17822 7323 1 11 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.182 0.287 17822 7324 1 11 . 1 1 111 111 ASN H H 111 8.711 8.711 8.353 0.358 17822 7325 1 11 . 1 1 112 112 ILE N N 112 125.729 125.729 123.375 2.354 17822 7326 1 11 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.389 -0.005 17822 7327 1 11 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.998 -0.809 17822 7328 1 11 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.319 -0.467 17822 7329 1 11 . 1 1 112 112 ILE H H 112 8.931 8.931 8.855 0.076 17822 7330 1 11 . 1 1 113 113 ASP N N 113 122.734 122.734 126.526 -3.792 17822 7331 1 11 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.802 -0.012 17822 7332 1 11 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.877 -1.672 17822 7333 1 11 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.712 -0.191 17822 7334 1 11 . 1 1 113 113 ASP H H 113 8.116 8.116 8.447 -0.331 17822 7335 1 11 . 1 1 114 114 PHE N N 114 116.385 116.385 119.761 -3.376 17822 7336 1 11 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.996 -0.293 17822 7337 1 11 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.811 -0.349 17822 7338 1 11 . 1 1 114 114 PHE CB C 114 39.707 39.707 39.939 -0.232 17822 7339 1 11 . 1 1 114 114 PHE H H 114 8.613 8.613 8.190 0.423 17822 7340 1 11 . 1 1 115 115 GLU N N 115 124.642 124.642 121.941 2.701 17822 7341 1 11 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.482 0.311 17822 7342 1 11 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.573 -0.870 17822 7343 1 11 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.856 1.269 17822 7344 1 11 . 1 1 115 115 GLU H H 115 8.591 8.591 8.458 0.133 17822 7345 1 11 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.208 0.375 17822 7346 1 11 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.229 0.122 17822 7347 1 11 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.253 -1.291 17822 7348 1 11 . 1 1 117 117 PHE N N 117 116.676 116.676 113.189 3.487 17822 7349 1 11 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.548 -0.354 17822 7350 1 11 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.332 0.307 17822 7351 1 11 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.265 -1.513 17822 7352 1 11 . 1 1 117 117 PHE H H 117 7.842 7.842 8.103 -0.261 17822 7353 1 11 . 1 1 118 118 LYS N N 118 118.589 118.589 119.095 -0.506 17822 7354 1 11 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.315 -0.132 17822 7355 1 11 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.528 -0.194 17822 7356 1 11 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.377 1.817 17822 7357 1 11 . 1 1 118 118 LYS H H 118 6.889 6.889 7.032 -0.143 17822 7358 1 11 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.529 -0.006 17822 7359 1 11 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.082 0.534 17822 7360 1 11 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.444 -0.272 17822 7361 1 11 . 1 1 120 120 ILE N N 120 121.968 121.968 122.602 -0.634 17822 7362 1 11 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.159 -0.253 17822 7363 1 11 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.559 1.859 17822 7364 1 11 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.039 0.766 17822 7365 1 11 . 1 1 120 120 ILE H H 120 7.440 7.440 7.670 -0.230 17822 7366 1 11 . 1 1 121 121 ASN N N 121 120.951 120.951 127.044 -6.093 17822 7367 1 11 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.373 0.259 17822 7368 1 11 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.209 -1.327 17822 7369 1 11 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.601 0.697 17822 7370 1 11 . 1 1 121 121 ASN H H 121 8.112 8.112 8.754 -0.642 17822 7371 1 11 . 1 1 122 122 GLN N N 122 118.826 118.826 115.557 3.269 17822 7372 1 11 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.485 -0.073 17822 7373 1 11 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.674 -0.276 17822 7374 1 11 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.855 -0.369 17822 7375 1 11 . 1 1 122 122 GLN H H 122 7.009 7.009 7.677 -0.668 17822 7376 1 11 . 1 1 123 123 PHE N N 123 122.795 122.795 119.779 3.016 17822 7377 1 11 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.482 0.232 17822 7378 1 11 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.286 -1.079 17822 7379 1 11 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.082 0.636 17822 7380 1 11 . 1 1 123 123 PHE H H 123 8.335 8.335 8.948 -0.613 17822 7381 1 11 . 1 1 124 124 MET N N 124 126.990 126.990 126.639 0.351 17822 7382 1 11 . 1 1 124 124 MET HA H 124 3.984 3.984 4.459 -0.475 17822 7383 1 11 . 1 1 124 124 MET CA C 124 54.799 54.799 54.392 0.407 17822 7384 1 11 . 1 1 124 124 MET CB C 124 37.330 37.330 36.303 1.027 17822 7385 1 11 . 1 1 124 124 MET H H 124 7.992 7.992 8.509 -0.517 17822 7386 1 11 . 1 1 125 125 TYR N N 125 122.216 122.216 125.062 -2.846 17822 7387 1 11 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.487 0.417 17822 7388 1 11 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.209 -0.460 17822 7389 1 11 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.333 0.820 17822 7390 1 11 . 1 1 125 125 TYR H H 125 7.552 7.552 8.129 -0.577 17822 7391 1 11 . 1 1 126 126 PHE N N 126 124.584 124.584 118.344 6.240 17822 7392 1 11 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.822 -0.747 17822 7393 1 11 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.514 0.891 17822 7394 1 11 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.989 3.430 17822 7395 1 11 . 1 1 126 126 PHE H H 126 8.271 8.271 6.463 1.808 17822 7396 1 11 . 1 1 127 127 CYS N N 127 124.011 124.011 118.735 5.276 17822 7397 1 11 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.633 0.163 17822 7398 1 11 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.087 0.753 17822 7399 1 11 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.565 -4.634 17822 7400 1 11 . 1 1 127 127 CYS H H 127 8.442 8.442 8.753 -0.311 17822 7401 1 11 . 1 1 128 128 ASP N N 128 127.486 127.486 121.629 5.857 17822 7402 1 11 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.549 0.457 17822 7403 1 11 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.807 -2.301 17822 7404 1 11 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.338 2.058 17822 7405 1 11 . 1 1 128 128 ASP H H 128 8.907 8.907 8.396 0.511 17822 7406 1 11 . 1 1 129 129 ASN N N 129 119.092 119.092 117.703 1.389 17822 7407 1 11 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.263 0.401 17822 7408 1 11 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.331 -1.596 17822 7409 1 11 . 1 1 129 129 ASN CB C 129 37.902 37.902 38.131 -0.229 17822 7410 1 11 . 1 1 129 129 ASN H H 129 9.136 9.136 8.561 0.575 17822 7411 1 11 . 1 1 130 130 LYS N N 130 114.367 114.367 114.197 0.170 17822 7412 1 11 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.436 -0.273 17822 7413 1 11 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.170 -0.944 17822 7414 1 11 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.414 -0.323 17822 7415 1 11 . 1 1 130 130 LYS H H 130 7.115 7.115 7.133 -0.018 17822 7416 1 11 . 1 1 131 131 PHE N N 131 121.117 121.117 120.252 0.865 17822 7417 1 11 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.541 -0.026 17822 7418 1 11 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.037 -1.887 17822 7419 1 11 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.242 -1.153 17822 7420 1 11 . 1 1 131 131 PHE H H 131 9.291 9.291 8.730 0.561 17822 7421 1 11 . 1 1 132 132 HIS N N 132 121.897 121.897 124.586 -2.689 17822 7422 1 11 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.885 -0.502 17822 7423 1 11 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.388 0.615 17822 7424 1 11 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.599 -2.256 17822 7425 1 11 . 1 1 132 132 HIS H H 132 9.026 9.026 8.418 0.608 17822 7426 1 11 . 1 1 133 133 THR N N 133 117.915 117.915 118.148 -0.233 17822 7427 1 11 . 1 1 133 133 THR HA H 133 4.612 4.612 4.706 -0.094 17822 7428 1 11 . 1 1 133 133 THR CA C 133 61.679 61.679 61.808 -0.129 17822 7429 1 11 . 1 1 133 133 THR CB C 133 73.856 73.856 70.569 3.287 17822 7430 1 11 . 1 1 133 133 THR H H 133 8.700 8.700 8.544 0.156 17822 7431 1 11 . 1 1 134 134 GLU N N 134 129.072 129.072 127.517 1.555 17822 7432 1 11 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.319 -0.340 17822 7433 1 11 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.430 1.103 17822 7434 1 11 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.615 -2.112 17822 7435 1 11 . 1 1 134 134 GLU H H 134 10.805 10.805 8.673 2.132 17822 7436 1 11 . 1 1 135 135 ALA N N 135 122.099 122.099 121.989 0.110 17822 7437 1 11 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.076 -0.005 17822 7438 1 11 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.849 -0.336 17822 7439 1 11 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.789 0.972 17822 7440 1 11 . 1 1 135 135 ALA H H 135 8.590 8.590 8.589 0.001 17822 7441 1 11 . 1 1 136 136 LEU N N 136 116.720 116.720 117.463 -0.743 17822 7442 1 11 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.164 -0.110 17822 7443 1 11 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.640 -1.063 17822 7444 1 11 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.676 -0.365 17822 7445 1 11 . 1 1 136 136 LEU H H 136 7.471 7.471 7.637 -0.166 17822 7446 1 11 . 1 1 137 137 THR N N 137 117.177 117.177 113.845 3.332 17822 7447 1 11 . 1 1 137 137 THR HA H 137 4.005 4.005 4.079 -0.074 17822 7448 1 11 . 1 1 137 137 THR CA C 137 66.610 66.610 65.191 1.419 17822 7449 1 11 . 1 1 137 137 THR CB C 137 67.980 67.980 68.818 -0.838 17822 7450 1 11 . 1 1 137 137 THR H H 137 8.044 8.044 7.619 0.425 17822 7451 1 11 . 1 1 138 138 ALA N N 138 124.719 124.719 123.452 1.267 17822 7452 1 11 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.343 -0.342 17822 7453 1 11 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.266 0.649 17822 7454 1 11 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.696 -1.199 17822 7455 1 11 . 1 1 138 138 ALA H H 138 7.695 7.695 8.332 -0.637 17822 7456 1 11 . 1 1 139 139 LEU N N 139 120.059 120.059 120.513 -0.454 17822 7457 1 11 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.992 0.007 17822 7458 1 11 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.994 -0.500 17822 7459 1 11 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.894 0.918 17822 7460 1 11 . 1 1 139 139 LEU H H 139 7.345 7.345 7.625 -0.280 17822 7461 1 11 . 1 1 140 140 LEU N N 140 117.771 117.771 118.699 -0.928 17822 7462 1 11 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.012 -0.055 17822 7463 1 11 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.731 -1.753 17822 7464 1 11 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.785 -0.546 17822 7465 1 11 . 1 1 140 140 LEU H H 140 7.748 7.748 7.864 -0.116 17822 7466 1 11 . 1 1 141 141 SER N N 141 114.778 114.778 113.338 1.440 17822 7467 1 11 . 1 1 141 141 SER HA H 141 4.107 4.107 4.220 -0.113 17822 7468 1 11 . 1 1 141 141 SER CA C 141 60.647 60.647 61.410 -0.763 17822 7469 1 11 . 1 1 141 141 SER CB C 141 62.650 62.650 62.787 -0.137 17822 7470 1 11 . 1 1 141 141 SER H H 141 7.807 7.807 7.425 0.382 17822 7471 1 11 . 1 1 142 142 ASP N N 142 121.827 121.827 121.659 0.168 17822 7472 1 11 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.564 -0.206 17822 7473 1 11 . 1 1 142 142 ASP CA C 142 56.061 56.061 55.949 0.112 17822 7474 1 11 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.441 -0.832 17822 7475 1 11 . 1 1 142 142 ASP H H 142 7.878 7.878 8.083 -0.205 17822 7476 1 11 . 1 1 143 143 LEU N N 143 120.220 120.220 118.431 1.789 17822 7477 1 11 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.252 -0.280 17822 7478 1 11 . 1 1 143 143 LEU CA C 143 56.462 56.462 55.903 0.559 17822 7479 1 11 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.809 -0.595 17822 7480 1 11 . 1 1 143 143 LEU H H 143 7.846 7.846 8.381 -0.535 17822 7481 1 12 . 1 1 2 2 ALA N N 2 125.964 125.964 124.163 1.801 17822 7482 1 12 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.152 0.460 17822 7483 1 12 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.230 0.062 17822 7484 1 12 . 1 1 2 2 ALA H H 2 8.065 8.065 8.461 -0.396 17822 7485 1 12 . 1 1 3 3 ASP N N 3 119.188 119.188 119.990 -0.802 17822 7486 1 12 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.670 -0.060 17822 7487 1 12 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.058 0.824 17822 7488 1 12 . 1 1 3 3 ASP CB C 3 40.810 40.810 40.687 0.123 17822 7489 1 12 . 1 1 3 3 ASP H H 3 8.203 8.203 8.317 -0.114 17822 7490 1 12 . 1 1 4 4 ASP N N 4 121.607 121.607 123.560 -1.953 17822 7491 1 12 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.724 -0.352 17822 7492 1 12 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.564 -0.803 17822 7493 1 12 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.877 -0.967 17822 7494 1 12 . 1 1 4 4 ASP H H 4 7.954 7.954 8.118 -0.164 17822 7495 1 12 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.357 -0.105 17822 7496 1 12 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.823 -1.455 17822 7497 1 12 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.283 -0.424 17822 7498 1 12 . 1 1 6 6 SER N N 6 115.864 115.864 114.073 1.791 17822 7499 1 12 . 1 1 6 6 SER HA H 6 4.252 4.252 4.409 -0.157 17822 7500 1 12 . 1 1 6 6 SER CA C 6 58.870 58.870 60.129 -1.259 17822 7501 1 12 . 1 1 6 6 SER CB C 6 63.368 63.368 63.122 0.246 17822 7502 1 12 . 1 1 6 6 SER H H 6 8.310 8.310 7.978 0.332 17822 7503 1 12 . 1 1 7 7 ALA N N 7 125.955 125.955 124.522 1.433 17822 7504 1 12 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.254 -0.255 17822 7505 1 12 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.378 -1.069 17822 7506 1 12 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.805 0.747 17822 7507 1 12 . 1 1 7 7 ALA H H 7 7.854 7.854 8.438 -0.584 17822 7508 1 12 . 1 1 8 8 ALA N N 8 122.354 122.354 121.749 0.605 17822 7509 1 12 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.971 -0.174 17822 7510 1 12 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.807 -1.212 17822 7511 1 12 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.334 0.118 17822 7512 1 12 . 1 1 8 8 ALA H H 8 7.910 7.910 7.828 0.082 17822 7513 1 12 . 1 1 9 9 ASP N N 9 119.431 119.431 117.780 1.651 17822 7514 1 12 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.424 -0.105 17822 7515 1 12 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.079 -1.936 17822 7516 1 12 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.379 0.244 17822 7517 1 12 . 1 1 9 9 ASP H H 9 7.970 7.970 7.867 0.103 17822 7518 1 12 . 1 1 10 10 ARG N N 10 122.263 122.263 120.620 1.643 17822 7519 1 12 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.345 -0.509 17822 7520 1 12 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.697 -0.916 17822 7521 1 12 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.465 -0.584 17822 7522 1 12 . 1 1 10 10 ARG H H 10 8.036 8.036 8.145 -0.109 17822 7523 1 12 . 1 1 11 11 ASN N N 11 118.325 118.325 117.682 0.643 17822 7524 1 12 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.441 -0.138 17822 7525 1 12 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.993 -0.850 17822 7526 1 12 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.326 -0.524 17822 7527 1 12 . 1 1 11 11 ASN H H 11 8.077 8.077 7.695 0.382 17822 7528 1 12 . 1 1 12 12 VAL N N 12 122.103 122.103 120.753 1.350 17822 7529 1 12 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.660 0.955 17822 7530 1 12 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.760 -0.139 17822 7531 1 12 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.214 0.272 17822 7532 1 12 . 1 1 12 12 VAL H H 12 7.741 7.741 7.889 -0.148 17822 7533 1 12 . 1 1 13 13 GLU N N 13 120.785 120.785 120.022 0.763 17822 7534 1 12 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.944 -0.710 17822 7535 1 12 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.316 5.745 17822 7536 1 12 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.892 0.876 17822 7537 1 12 . 1 1 13 13 GLU H H 13 7.751 7.751 7.650 0.101 17822 7538 1 12 . 1 1 14 14 ILE N N 14 120.199 120.199 120.182 0.017 17822 7539 1 12 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.251 0.537 17822 7540 1 12 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.481 -5.299 17822 7541 1 12 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.244 -1.250 17822 7542 1 12 . 1 1 14 14 ILE H H 14 7.650 7.650 7.121 0.529 17822 7543 1 12 . 1 1 15 15 TRP N N 15 120.828 120.828 117.563 3.265 17822 7544 1 12 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.592 -0.539 17822 7545 1 12 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.566 3.024 17822 7546 1 12 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.690 -0.246 17822 7547 1 12 . 1 1 15 15 TRP H H 15 7.759 7.759 7.085 0.674 17822 7548 1 12 . 1 1 16 16 LYS N N 16 119.063 119.063 122.198 -3.135 17822 7549 1 12 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.170 -0.680 17822 7550 1 12 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.151 1.818 17822 7551 1 12 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.938 0.240 17822 7552 1 12 . 1 1 16 16 LYS H H 16 7.963 7.963 7.733 0.230 17822 7553 1 12 . 1 1 17 17 ILE N N 17 120.609 120.609 119.585 1.024 17822 7554 1 12 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.855 -0.244 17822 7555 1 12 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.358 -0.902 17822 7556 1 12 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.537 -1.239 17822 7557 1 12 . 1 1 17 17 ILE H H 17 7.630 7.630 8.458 -0.828 17822 7558 1 12 . 1 1 18 18 LYS N N 18 121.687 121.687 119.049 2.638 17822 7559 1 12 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.021 -0.438 17822 7560 1 12 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.501 1.429 17822 7561 1 12 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.537 0.545 17822 7562 1 12 . 1 1 18 18 LYS H H 18 8.297 8.297 7.763 0.533 17822 7563 1 12 . 1 1 19 19 LYS N N 19 119.253 119.253 118.954 0.299 17822 7564 1 12 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.086 -0.469 17822 7565 1 12 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.710 0.275 17822 7566 1 12 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.147 -0.287 17822 7567 1 12 . 1 1 19 19 LYS H H 19 7.685 7.685 7.646 0.039 17822 7568 1 12 . 1 1 20 20 LEU N N 20 123.001 123.001 121.927 1.074 17822 7569 1 12 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.933 -0.108 17822 7570 1 12 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.796 -0.015 17822 7571 1 12 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.888 -0.477 17822 7572 1 12 . 1 1 20 20 LEU H H 20 7.509 7.509 7.120 0.389 17822 7573 1 12 . 1 1 21 21 ILE N N 21 119.392 119.392 118.411 0.981 17822 7574 1 12 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.656 -0.586 17822 7575 1 12 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.750 2.745 17822 7576 1 12 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.118 1.085 17822 7577 1 12 . 1 1 21 21 ILE H H 21 8.474 8.474 7.924 0.550 17822 7578 1 12 . 1 1 22 22 LYS N N 22 117.524 117.524 118.321 -0.797 17822 7579 1 12 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.063 -0.257 17822 7580 1 12 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.146 -0.333 17822 7581 1 12 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.228 -0.342 17822 7582 1 12 . 1 1 22 22 LYS H H 22 7.300 7.300 7.575 -0.275 17822 7583 1 12 . 1 1 23 23 SER N N 23 114.880 114.880 114.480 0.400 17822 7584 1 12 . 1 1 23 23 SER HA H 23 4.008 4.008 4.324 -0.316 17822 7585 1 12 . 1 1 23 23 SER CA C 23 61.106 61.106 60.574 0.532 17822 7586 1 12 . 1 1 23 23 SER CB C 23 62.587 62.587 63.724 -1.137 17822 7587 1 12 . 1 1 23 23 SER H H 23 7.653 7.653 7.553 0.100 17822 7588 1 12 . 1 1 24 24 LEU N N 24 121.607 121.607 122.108 -0.501 17822 7589 1 12 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.473 0.399 17822 7590 1 12 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.828 -0.966 17822 7591 1 12 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.164 0.125 17822 7592 1 12 . 1 1 24 24 LEU H H 24 8.158 8.158 8.584 -0.426 17822 7593 1 12 . 1 1 25 25 GLU N N 25 119.392 119.392 117.872 1.520 17822 7594 1 12 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.157 -0.276 17822 7595 1 12 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.760 -0.177 17822 7596 1 12 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.392 -0.212 17822 7597 1 12 . 1 1 25 25 GLU H H 25 8.344 8.344 7.803 0.541 17822 7598 1 12 . 1 1 26 26 ALA N N 26 119.228 119.228 119.531 -0.303 17822 7599 1 12 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.391 -0.274 17822 7600 1 12 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.596 0.394 17822 7601 1 12 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.456 -0.503 17822 7602 1 12 . 1 1 26 26 ALA H H 26 7.154 7.154 7.475 -0.321 17822 7603 1 12 . 1 1 27 27 ALA N N 27 121.417 121.417 123.806 -2.389 17822 7604 1 12 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.262 -0.192 17822 7605 1 12 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.045 -0.577 17822 7606 1 12 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.367 -0.064 17822 7607 1 12 . 1 1 27 27 ALA H H 27 6.833 6.833 7.558 -0.725 17822 7608 1 12 . 1 1 28 28 ARG N N 28 123.986 123.986 121.803 2.183 17822 7609 1 12 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.518 -0.022 17822 7610 1 12 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.268 -1.099 17822 7611 1 12 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.897 0.064 17822 7612 1 12 . 1 1 28 28 ARG H H 28 8.679 8.679 8.235 0.444 17822 7613 1 12 . 1 1 29 29 GLY N N 29 109.466 109.466 108.803 0.663 17822 7614 1 12 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.865 -0.476 17822 7615 1 12 . 1 1 29 29 GLY H H 29 8.091 8.091 8.236 -0.145 17822 7616 1 12 . 1 1 30 30 ASN N N 30 120.048 120.048 116.777 3.271 17822 7617 1 12 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.585 0.070 17822 7618 1 12 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.148 -1.519 17822 7619 1 12 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.148 -1.346 17822 7620 1 12 . 1 1 30 30 ASN H H 30 8.419 8.419 8.585 -0.166 17822 7621 1 12 . 1 1 31 31 GLY N N 31 110.450 110.450 106.447 4.003 17822 7622 1 12 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.596 -0.910 17822 7623 1 12 . 1 1 31 31 GLY H H 31 8.071 8.071 8.708 -0.637 17822 7624 1 12 . 1 1 32 32 THR N N 32 112.929 112.929 118.004 -5.075 17822 7625 1 12 . 1 1 32 32 THR HA H 32 4.993 4.993 4.525 0.468 17822 7626 1 12 . 1 1 32 32 THR CA C 32 59.598 59.598 60.755 -1.157 17822 7627 1 12 . 1 1 32 32 THR H H 32 7.747 7.747 7.855 -0.108 17822 7628 1 12 . 1 1 33 33 SER N N 33 115.208 115.208 116.565 -1.357 17822 7629 1 12 . 1 1 33 33 SER HA H 33 4.335 4.335 4.787 -0.452 17822 7630 1 12 . 1 1 33 33 SER CA C 33 58.067 58.067 57.365 0.702 17822 7631 1 12 . 1 1 33 33 SER CB C 33 64.572 64.572 64.348 0.224 17822 7632 1 12 . 1 1 33 33 SER H H 33 7.701 7.701 8.699 -0.998 17822 7633 1 12 . 1 1 34 34 MET N N 34 120.869 120.869 124.987 -4.118 17822 7634 1 12 . 1 1 34 34 MET HA H 34 4.666 4.666 4.670 -0.004 17822 7635 1 12 . 1 1 34 34 MET CA C 34 54.799 54.799 54.539 0.260 17822 7636 1 12 . 1 1 34 34 MET CB C 34 34.700 34.700 34.099 0.601 17822 7637 1 12 . 1 1 34 34 MET H H 34 8.679 8.679 8.397 0.282 17822 7638 1 12 . 1 1 35 35 ILE N N 35 126.806 126.806 120.990 5.816 17822 7639 1 12 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.375 1.795 17822 7640 1 12 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.998 -0.096 17822 7641 1 12 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.750 -1.077 17822 7642 1 12 . 1 1 35 35 ILE H H 35 9.562 9.562 8.320 1.242 17822 7643 1 12 . 1 1 36 36 SER N N 36 122.217 122.217 122.604 -0.387 17822 7644 1 12 . 1 1 36 36 SER HA H 36 4.968 4.968 5.019 -0.051 17822 7645 1 12 . 1 1 36 36 SER CA C 36 56.602 56.602 57.461 -0.858 17822 7646 1 12 . 1 1 36 36 SER CB C 36 64.572 64.572 64.356 0.216 17822 7647 1 12 . 1 1 36 36 SER H H 36 8.422 8.422 8.070 0.352 17822 7648 1 12 . 1 1 37 37 LEU N N 37 128.938 128.938 124.279 4.659 17822 7649 1 12 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.934 0.047 17822 7650 1 12 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.358 0.123 17822 7651 1 12 . 1 1 37 37 LEU CB C 37 45.376 45.376 46.223 -0.847 17822 7652 1 12 . 1 1 37 37 LEU H H 37 8.916 8.916 7.680 1.236 17822 7653 1 12 . 1 1 38 38 ILE N N 38 128.296 128.296 115.114 13.182 17822 7654 1 12 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.949 0.023 17822 7655 1 12 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.436 0.409 17822 7656 1 12 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.367 -2.362 17822 7657 1 12 . 1 1 38 38 ILE H H 38 8.740 8.740 8.374 0.366 17822 7658 1 12 . 1 1 39 39 ILE N N 39 125.429 125.429 121.482 3.947 17822 7659 1 12 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.629 -0.230 17822 7660 1 12 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.508 -0.785 17822 7661 1 12 . 1 1 39 39 ILE CB C 39 40.661 40.661 37.578 3.083 17822 7662 1 12 . 1 1 39 39 ILE H H 39 8.960 8.960 8.170 0.790 17822 7663 1 12 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.762 -0.355 17822 7664 1 12 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.787 5.395 17822 7665 1 12 . 1 1 40 40 PRO CB C 40 31.372 31.372 30.791 0.581 17822 7666 1 12 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.382 -0.561 17822 7667 1 12 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.793 3.022 17822 7668 1 12 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.856 0.321 17822 7669 1 12 . 1 1 42 42 LYS N N 42 113.683 113.683 116.070 -2.387 17822 7670 1 12 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.170 -0.214 17822 7671 1 12 . 1 1 42 42 LYS CA C 42 56.806 56.806 57.586 -0.780 17822 7672 1 12 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.525 -2.343 17822 7673 1 12 . 1 1 42 42 LYS H H 42 8.004 8.004 8.202 -0.198 17822 7674 1 12 . 1 1 43 43 ASP N N 43 121.628 121.628 116.792 4.836 17822 7675 1 12 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.885 -0.450 17822 7676 1 12 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.342 0.164 17822 7677 1 12 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.633 -1.418 17822 7678 1 12 . 1 1 43 43 ASP H H 43 7.290 7.290 7.430 -0.140 17822 7679 1 12 . 1 1 44 44 GLN N N 44 117.587 117.587 116.137 1.450 17822 7680 1 12 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.585 -0.048 17822 7681 1 12 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.245 -0.306 17822 7682 1 12 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.743 -0.199 17822 7683 1 12 . 1 1 44 44 GLN H H 44 9.610 9.610 8.220 1.390 17822 7684 1 12 . 1 1 45 45 ILE N N 45 126.939 126.939 120.696 6.243 17822 7685 1 12 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.776 -0.475 17822 7686 1 12 . 1 1 45 45 ILE CA C 45 63.284 63.284 62.715 0.569 17822 7687 1 12 . 1 1 45 45 ILE CB C 45 35.633 35.633 36.952 -1.319 17822 7688 1 12 . 1 1 45 45 ILE H H 45 8.806 8.806 8.995 -0.189 17822 7689 1 12 . 1 1 46 46 SER N N 46 113.239 113.239 115.480 -2.241 17822 7690 1 12 . 1 1 46 46 SER HA H 46 3.931 3.931 4.164 -0.233 17822 7691 1 12 . 1 1 46 46 SER CA C 46 60.762 60.762 61.298 -0.536 17822 7692 1 12 . 1 1 46 46 SER CB C 46 61.464 61.464 62.877 -1.413 17822 7693 1 12 . 1 1 46 46 SER H H 46 8.476 8.476 8.374 0.102 17822 7694 1 12 . 1 1 47 47 ARG N N 47 124.530 124.530 121.907 2.623 17822 7695 1 12 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.060 -0.269 17822 7696 1 12 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.876 0.051 17822 7697 1 12 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.216 1.367 17822 7698 1 12 . 1 1 47 47 ARG H H 47 6.731 6.731 8.179 -1.448 17822 7699 1 12 . 1 1 48 48 VAL N N 48 121.935 121.935 118.864 3.071 17822 7700 1 12 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.709 -0.562 17822 7701 1 12 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.639 -0.431 17822 7702 1 12 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.392 0.076 17822 7703 1 12 . 1 1 48 48 VAL H H 48 7.257 7.257 7.633 -0.376 17822 7704 1 12 . 1 1 49 49 ALA N N 49 122.345 122.345 119.557 2.788 17822 7705 1 12 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.004 -0.122 17822 7706 1 12 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.897 0.246 17822 7707 1 12 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.271 -0.621 17822 7708 1 12 . 1 1 49 49 ALA H H 49 8.864 8.864 7.648 1.216 17822 7709 1 12 . 1 1 50 50 LYS N N 50 120.376 120.376 119.788 0.588 17822 7710 1 12 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.147 -0.244 17822 7711 1 12 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.536 0.390 17822 7712 1 12 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.419 -0.833 17822 7713 1 12 . 1 1 50 50 LYS H H 50 7.380 7.380 7.974 -0.594 17822 7714 1 12 . 1 1 51 51 MET N N 51 121.641 121.641 118.314 3.327 17822 7715 1 12 . 1 1 51 51 MET HA H 51 3.935 3.935 4.148 -0.213 17822 7716 1 12 . 1 1 51 51 MET CA C 51 58.927 58.927 58.704 0.223 17822 7717 1 12 . 1 1 51 51 MET CB C 51 30.734 30.734 32.051 -1.317 17822 7718 1 12 . 1 1 51 51 MET H H 51 7.508 7.508 8.413 -0.905 17822 7719 1 12 . 1 1 52 52 LEU N N 52 120.125 120.125 120.126 -0.001 17822 7720 1 12 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.236 -0.579 17822 7721 1 12 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.983 0.454 17822 7722 1 12 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.875 -0.321 17822 7723 1 12 . 1 1 52 52 LEU H H 52 8.203 8.203 7.762 0.441 17822 7724 1 12 . 1 1 53 53 ALA N N 53 123.639 123.639 121.961 1.678 17822 7725 1 12 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.849 0.096 17822 7726 1 12 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.360 -0.561 17822 7727 1 12 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.874 -0.625 17822 7728 1 12 . 1 1 53 53 ALA H H 53 7.775 7.775 7.609 0.166 17822 7729 1 12 . 1 1 54 54 ASP N N 54 123.165 123.165 118.082 5.083 17822 7730 1 12 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.364 -0.035 17822 7731 1 12 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.239 -0.031 17822 7732 1 12 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.883 -1.778 17822 7733 1 12 . 1 1 54 54 ASP H H 54 8.156 8.156 7.714 0.442 17822 7734 1 12 . 1 1 55 55 GLU N N 55 122.017 122.017 119.420 2.597 17822 7735 1 12 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.026 -0.150 17822 7736 1 12 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.996 -0.413 17822 7737 1 12 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.412 -0.393 17822 7738 1 12 . 1 1 55 55 GLU H H 55 8.221 8.221 7.631 0.590 17822 7739 1 12 . 1 1 56 56 PHE N N 56 123.334 123.334 121.492 1.842 17822 7740 1 12 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.248 0.433 17822 7741 1 12 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.283 0.232 17822 7742 1 12 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.869 0.343 17822 7743 1 12 . 1 1 56 56 PHE H H 56 8.711 8.711 8.127 0.584 17822 7744 1 12 . 1 1 57 57 GLY N N 57 107.156 107.156 106.143 1.013 17822 7745 1 12 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.426 0.057 17822 7746 1 12 . 1 1 57 57 GLY H H 57 7.985 7.985 8.037 -0.052 17822 7747 1 12 . 1 1 58 58 THR N N 58 118.940 118.940 115.966 2.974 17822 7748 1 12 . 1 1 58 58 THR HA H 58 4.062 4.062 4.257 -0.195 17822 7749 1 12 . 1 1 58 58 THR CA C 58 65.406 65.406 65.280 0.126 17822 7750 1 12 . 1 1 58 58 THR CB C 58 68.408 68.408 68.958 -0.550 17822 7751 1 12 . 1 1 58 58 THR H H 58 7.992 7.992 7.780 0.212 17822 7752 1 12 . 1 1 59 59 ALA N N 59 126.365 126.365 124.259 2.106 17822 7753 1 12 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.210 -0.282 17822 7754 1 12 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.652 -0.713 17822 7755 1 12 . 1 1 59 59 ALA CB C 59 18.151 18.151 18.002 0.149 17822 7756 1 12 . 1 1 59 59 ALA H H 59 8.351 8.351 7.505 0.846 17822 7757 1 12 . 1 1 60 60 SER N N 60 112.435 112.435 112.738 -0.303 17822 7758 1 12 . 1 1 60 60 SER HA H 60 4.632 4.632 4.148 0.484 17822 7759 1 12 . 1 1 60 60 SER CA C 60 61.220 61.220 60.073 1.147 17822 7760 1 12 . 1 1 60 60 SER CB C 60 62.686 62.686 63.114 -0.428 17822 7761 1 12 . 1 1 60 60 SER H H 60 7.459 7.459 7.784 -0.325 17822 7762 1 12 . 1 1 61 61 ASN N N 61 116.971 116.971 117.965 -0.994 17822 7763 1 12 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.659 -0.146 17822 7764 1 12 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.783 -0.761 17822 7765 1 12 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.118 -0.113 17822 7766 1 12 . 1 1 61 61 ASN H H 61 7.372 7.372 7.431 -0.059 17822 7767 1 12 . 1 1 62 62 ILE N N 62 123.980 123.980 121.854 2.126 17822 7768 1 12 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.837 -0.201 17822 7769 1 12 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.126 1.302 17822 7770 1 12 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.877 -0.447 17822 7771 1 12 . 1 1 62 62 ILE H H 62 7.461 7.461 7.314 0.147 17822 7772 1 12 . 1 1 63 63 LYS N N 63 128.982 128.982 126.057 2.925 17822 7773 1 12 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.092 -0.295 17822 7774 1 12 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.023 0.675 17822 7775 1 12 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.541 0.165 17822 7776 1 12 . 1 1 63 63 LYS H H 63 8.417 8.417 8.408 0.009 17822 7777 1 12 . 1 1 64 64 SER N N 64 114.306 114.306 118.033 -3.727 17822 7778 1 12 . 1 1 64 64 SER HA H 64 4.616 4.616 4.520 0.096 17822 7779 1 12 . 1 1 64 64 SER CA C 64 56.749 56.749 57.228 -0.479 17822 7780 1 12 . 1 1 64 64 SER CB C 64 62.962 62.962 63.255 -0.293 17822 7781 1 12 . 1 1 64 64 SER H H 64 7.599 7.599 8.098 -0.499 17822 7782 1 12 . 1 1 65 65 ARG N N 65 132.125 132.125 127.930 4.195 17822 7783 1 12 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.890 0.416 17822 7784 1 12 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.886 0.016 17822 7785 1 12 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.812 3.286 17822 7786 1 12 . 1 1 65 65 ARG H H 65 8.689 8.689 8.799 -0.110 17822 7787 1 12 . 1 1 66 66 VAL N N 66 116.947 116.947 119.257 -2.310 17822 7788 1 12 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.613 -0.062 17822 7789 1 12 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.443 -0.980 17822 7790 1 12 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.864 0.722 17822 7791 1 12 . 1 1 66 66 VAL H H 66 7.946 7.946 8.307 -0.361 17822 7792 1 12 . 1 1 67 67 ASN N N 67 119.499 119.499 117.545 1.954 17822 7793 1 12 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.411 0.001 17822 7794 1 12 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.120 -0.747 17822 7795 1 12 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.177 -0.141 17822 7796 1 12 . 1 1 67 67 ASN H H 67 7.386 7.386 7.747 -0.361 17822 7797 1 12 . 1 1 68 68 ARG N N 68 122.132 122.132 121.994 0.138 17822 7798 1 12 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.947 -0.353 17822 7799 1 12 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.460 0.338 17822 7800 1 12 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.017 0.542 17822 7801 1 12 . 1 1 68 68 ARG H H 68 8.566 8.566 7.801 0.765 17822 7802 1 12 . 1 1 69 69 LEU N N 69 116.564 116.564 118.738 -2.174 17822 7803 1 12 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.248 -0.465 17822 7804 1 12 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.307 0.588 17822 7805 1 12 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.829 -0.220 17822 7806 1 12 . 1 1 69 69 LEU H H 69 8.167 8.167 8.651 -0.484 17822 7807 1 12 . 1 1 70 70 SER N N 70 116.805 116.805 114.154 2.651 17822 7808 1 12 . 1 1 70 70 SER HA H 70 4.132 4.132 4.271 -0.139 17822 7809 1 12 . 1 1 70 70 SER CA C 70 61.450 61.450 61.177 0.273 17822 7810 1 12 . 1 1 70 70 SER CB C 70 62.635 62.635 63.040 -0.405 17822 7811 1 12 . 1 1 70 70 SER H H 70 7.589 7.589 7.459 0.130 17822 7812 1 12 . 1 1 71 71 VAL N N 71 124.991 124.991 123.789 1.202 17822 7813 1 12 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.971 -0.488 17822 7814 1 12 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.740 2.099 17822 7815 1 12 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.472 0.177 17822 7816 1 12 . 1 1 71 71 VAL H H 71 7.934 7.934 8.490 -0.556 17822 7817 1 12 . 1 1 72 72 LEU N N 72 118.680 118.680 119.817 -1.137 17822 7818 1 12 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.055 -0.334 17822 7819 1 12 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.878 0.361 17822 7820 1 12 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.889 -0.591 17822 7821 1 12 . 1 1 72 72 LEU H H 72 8.354 8.354 8.605 -0.251 17822 7822 1 12 . 1 1 73 73 GLY N N 73 106.674 106.674 106.143 0.531 17822 7823 1 12 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.395 -0.450 17822 7824 1 12 . 1 1 73 73 GLY H H 73 8.052 8.052 7.964 0.088 17822 7825 1 12 . 1 1 74 74 ALA N N 74 127.313 127.313 125.015 2.298 17822 7826 1 12 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.234 -0.081 17822 7827 1 12 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.095 1.278 17822 7828 1 12 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.701 -0.895 17822 7829 1 12 . 1 1 74 74 ALA H H 74 7.784 7.784 7.421 0.363 17822 7830 1 12 . 1 1 75 75 ILE N N 75 119.310 119.310 119.085 0.225 17822 7831 1 12 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.639 -0.277 17822 7832 1 12 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.489 1.121 17822 7833 1 12 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.054 0.370 17822 7834 1 12 . 1 1 75 75 ILE H H 75 8.638 8.638 8.127 0.511 17822 7835 1 12 . 1 1 76 76 THR N N 76 116.205 116.205 113.594 2.611 17822 7836 1 12 . 1 1 76 76 THR HA H 76 4.227 4.227 4.045 0.182 17822 7837 1 12 . 1 1 76 76 THR CA C 76 66.782 66.782 66.954 -0.172 17822 7838 1 12 . 1 1 76 76 THR CB C 76 68.478 68.478 68.624 -0.146 17822 7839 1 12 . 1 1 76 76 THR H H 76 8.317 8.317 8.518 -0.201 17822 7840 1 12 . 1 1 77 77 SER N N 77 118.405 118.405 118.332 0.073 17822 7841 1 12 . 1 1 77 77 SER HA H 77 4.173 4.173 4.324 -0.151 17822 7842 1 12 . 1 1 77 77 SER CA C 77 62.482 62.482 61.714 0.768 17822 7843 1 12 . 1 1 77 77 SER CB C 77 63.484 63.484 62.975 0.509 17822 7844 1 12 . 1 1 77 77 SER H H 77 7.843 7.843 7.712 0.131 17822 7845 1 12 . 1 1 78 78 VAL N N 78 124.171 124.171 120.601 3.570 17822 7846 1 12 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.959 -0.386 17822 7847 1 12 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.241 1.483 17822 7848 1 12 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.638 -0.654 17822 7849 1 12 . 1 1 78 78 VAL H H 78 8.153 8.153 8.141 0.012 17822 7850 1 12 . 1 1 79 79 GLN N N 79 120.008 120.008 119.229 0.779 17822 7851 1 12 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.890 0.039 17822 7852 1 12 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.833 -0.447 17822 7853 1 12 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.390 0.390 17822 7854 1 12 . 1 1 79 79 GLN H H 79 8.688 8.688 8.536 0.152 17822 7855 1 12 . 1 1 80 80 GLN N N 80 116.870 116.870 116.988 -0.118 17822 7856 1 12 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.107 -0.332 17822 7857 1 12 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.517 0.009 17822 7858 1 12 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.596 -0.620 17822 7859 1 12 . 1 1 80 80 GLN H H 80 7.850 7.850 7.770 0.080 17822 7860 1 12 . 1 1 81 81 ARG N N 81 119.074 119.074 119.542 -0.468 17822 7861 1 12 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.134 -0.142 17822 7862 1 12 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.388 -1.754 17822 7863 1 12 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.583 -2.261 17822 7864 1 12 . 1 1 81 81 ARG H H 81 7.520 7.520 7.807 -0.287 17822 7865 1 12 . 1 1 82 82 LEU N N 82 117.238 117.238 119.517 -2.279 17822 7866 1 12 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.243 -0.352 17822 7867 1 12 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.119 -0.682 17822 7868 1 12 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.249 -0.439 17822 7869 1 12 . 1 1 82 82 LEU H H 82 8.189 8.189 8.221 -0.032 17822 7870 1 12 . 1 1 83 83 LYS N N 83 114.899 114.899 117.915 -3.016 17822 7871 1 12 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.052 -0.107 17822 7872 1 12 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.837 -1.171 17822 7873 1 12 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.079 -0.092 17822 7874 1 12 . 1 1 83 83 LYS H H 83 7.064 7.064 7.603 -0.539 17822 7875 1 12 . 1 1 84 84 LEU N N 84 117.840 117.840 117.710 0.130 17822 7876 1 12 . 1 1 84 84 LEU HA H 84 3.873 3.873 3.975 -0.102 17822 7877 1 12 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.451 -1.136 17822 7878 1 12 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.972 -1.043 17822 7879 1 12 . 1 1 84 84 LEU H H 84 7.271 7.271 7.660 -0.389 17822 7880 1 12 . 1 1 85 85 TYR N N 85 119.720 119.720 116.441 3.279 17822 7881 1 12 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.527 -0.272 17822 7882 1 12 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.558 1.509 17822 7883 1 12 . 1 1 85 85 TYR CB C 85 39.068 39.068 36.084 2.985 17822 7884 1 12 . 1 1 85 85 TYR H H 85 7.633 7.633 7.322 0.311 17822 7885 1 12 . 1 1 86 86 ASN N N 86 119.638 119.638 119.219 0.419 17822 7886 1 12 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.380 0.094 17822 7887 1 12 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.598 -1.716 17822 7888 1 12 . 1 1 86 86 ASN CB C 86 38.742 38.742 39.124 -0.382 17822 7889 1 12 . 1 1 86 86 ASN H H 86 8.622 8.622 8.049 0.573 17822 7890 1 12 . 1 1 87 87 LYS N N 87 116.321 116.321 117.491 -1.170 17822 7891 1 12 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.348 0.150 17822 7892 1 12 . 1 1 87 87 LYS CA C 87 54.169 54.169 56.081 -1.912 17822 7893 1 12 . 1 1 87 87 LYS CB C 87 34.673 34.673 33.844 0.829 17822 7894 1 12 . 1 1 87 87 LYS H H 87 7.631 7.631 7.832 -0.201 17822 7895 1 12 . 1 1 88 88 VAL N N 88 125.141 125.141 120.742 4.399 17822 7896 1 12 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.428 -0.806 17822 7897 1 12 . 1 1 88 88 VAL CA C 88 61.966 61.966 57.112 4.854 17822 7898 1 12 . 1 1 88 88 VAL CB C 88 32.288 32.288 33.908 -1.620 17822 7899 1 12 . 1 1 88 88 VAL H H 88 8.357 8.357 8.220 0.137 17822 7900 1 12 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.823 -0.570 17822 7901 1 12 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.404 1.936 17822 7902 1 12 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.696 0.858 17822 7903 1 12 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.262 0.238 17822 7904 1 12 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.105 0.874 17822 7905 1 12 . 1 1 90 90 PRO CB C 90 32.188 32.188 31.939 0.249 17822 7906 1 12 . 1 1 91 91 ASN N N 91 112.735 112.735 116.057 -3.322 17822 7907 1 12 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.439 0.216 17822 7908 1 12 . 1 1 91 91 ASN CA C 91 51.875 51.875 54.036 -2.161 17822 7909 1 12 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.273 -0.830 17822 7910 1 12 . 1 1 91 91 ASN H H 91 9.163 9.163 8.500 0.663 17822 7911 1 12 . 1 1 92 92 GLY N N 92 108.893 108.893 106.551 2.342 17822 7912 1 12 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.912 -1.471 17822 7913 1 12 . 1 1 92 92 GLY H H 92 7.898 7.898 7.430 0.468 17822 7914 1 12 . 1 1 93 93 LEU N N 93 117.751 117.751 125.963 -8.212 17822 7915 1 12 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.161 0.163 17822 7916 1 12 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.291 -0.524 17822 7917 1 12 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.112 5.415 17822 7918 1 12 . 1 1 93 93 LEU H H 93 8.508 8.508 7.543 0.965 17822 7919 1 12 . 1 1 94 94 VAL N N 94 126.296 126.296 128.530 -2.234 17822 7920 1 12 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.678 -0.328 17822 7921 1 12 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.513 -1.038 17822 7922 1 12 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.753 -0.585 17822 7923 1 12 . 1 1 94 94 VAL H H 94 8.168 8.168 7.946 0.222 17822 7924 1 12 . 1 1 95 95 VAL N N 95 125.531 125.531 118.029 7.502 17822 7925 1 12 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.131 -0.991 17822 7926 1 12 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.600 0.703 17822 7927 1 12 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.072 1.123 17822 7928 1 12 . 1 1 95 95 VAL H H 95 8.744 8.744 8.479 0.265 17822 7929 1 12 . 1 1 96 96 TYR N N 96 123.577 123.577 124.232 -0.655 17822 7930 1 12 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.619 -0.287 17822 7931 1 12 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.906 0.672 17822 7932 1 12 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.243 -0.623 17822 7933 1 12 . 1 1 96 96 TYR H H 96 8.698 8.698 9.376 -0.678 17822 7934 1 12 . 1 1 97 97 CYS N N 97 120.144 120.144 123.601 -3.457 17822 7935 1 12 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.804 -0.256 17822 7936 1 12 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.107 -0.530 17822 7937 1 12 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.012 1.774 17822 7938 1 12 . 1 1 97 97 CYS H H 97 8.796 8.796 8.271 0.525 17822 7939 1 12 . 1 1 98 98 GLY N N 98 112.534 112.534 114.834 -2.300 17822 7940 1 12 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.255 0.542 17822 7941 1 12 . 1 1 98 98 GLY H H 98 8.776 8.776 8.172 0.604 17822 7942 1 12 . 1 1 99 99 THR N N 99 119.083 119.083 116.153 2.930 17822 7943 1 12 . 1 1 99 99 THR HA H 99 4.821 4.821 5.409 -0.588 17822 7944 1 12 . 1 1 99 99 THR CA C 99 62.294 62.294 62.078 0.216 17822 7945 1 12 . 1 1 99 99 THR CB C 99 69.781 69.781 70.414 -0.633 17822 7946 1 12 . 1 1 99 99 THR H H 99 8.168 8.168 8.397 -0.229 17822 7947 1 12 . 1 1 100 100 ILE N N 100 122.250 122.250 122.993 -0.743 17822 7948 1 12 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.700 -0.123 17822 7949 1 12 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.567 0.016 17822 7950 1 12 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.344 0.165 17822 7951 1 12 . 1 1 100 100 ILE H H 100 8.838 8.838 8.503 0.335 17822 7952 1 12 . 1 1 101 101 VAL N N 101 120.622 120.622 124.423 -3.801 17822 7953 1 12 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.884 -0.234 17822 7954 1 12 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.422 1.168 17822 7955 1 12 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.655 -1.766 17822 7956 1 12 . 1 1 101 101 VAL H H 101 8.310 8.310 8.450 -0.140 17822 7957 1 12 . 1 1 102 102 THR N N 102 118.661 118.661 121.474 -2.813 17822 7958 1 12 . 1 1 102 102 THR HA H 102 4.658 4.658 4.691 -0.033 17822 7959 1 12 . 1 1 102 102 THR CA C 102 60.590 60.590 59.997 0.593 17822 7960 1 12 . 1 1 102 102 THR CB C 102 71.189 71.189 70.594 0.595 17822 7961 1 12 . 1 1 102 102 THR H H 102 8.867 8.867 8.174 0.693 17822 7962 1 12 . 1 1 103 103 GLU N N 103 121.906 121.906 121.691 0.215 17822 7963 1 12 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.043 -0.125 17822 7964 1 12 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.839 0.088 17822 7965 1 12 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.270 -0.340 17822 7966 1 12 . 1 1 103 103 GLU H H 103 9.243 9.243 8.753 0.490 17822 7967 1 12 . 1 1 104 104 GLU N N 104 116.013 116.013 119.088 -3.075 17822 7968 1 12 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.147 0.027 17822 7969 1 12 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.119 0.114 17822 7970 1 12 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.193 0.274 17822 7971 1 12 . 1 1 104 104 GLU H H 104 7.716 7.716 7.778 -0.062 17822 7972 1 12 . 1 1 105 105 GLY N N 105 109.001 109.001 107.606 1.395 17822 7973 1 12 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.287 -0.582 17822 7974 1 12 . 1 1 105 105 GLY H H 105 8.045 8.045 7.929 0.116 17822 7975 1 12 . 1 1 106 106 LYS N N 106 119.559 119.559 119.001 0.558 17822 7976 1 12 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.659 -0.328 17822 7977 1 12 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.450 0.005 17822 7978 1 12 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.780 -0.358 17822 7979 1 12 . 1 1 106 106 LYS H H 106 6.924 6.924 7.555 -0.631 17822 7980 1 12 . 1 1 107 107 GLU N N 107 121.771 121.771 124.019 -2.248 17822 7981 1 12 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.346 0.608 17822 7982 1 12 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.392 -0.789 17822 7983 1 12 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.728 0.557 17822 7984 1 12 . 1 1 107 107 GLU H H 107 8.371 8.371 8.733 -0.362 17822 7985 1 12 . 1 1 108 108 LYS N N 108 125.216 125.216 121.927 3.289 17822 7986 1 12 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.469 -0.029 17822 7987 1 12 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.204 -0.118 17822 7988 1 12 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.830 1.085 17822 7989 1 12 . 1 1 108 108 LYS H H 108 8.946 8.946 8.361 0.585 17822 7990 1 12 . 1 1 109 109 LYS N N 109 125.136 125.136 128.997 -3.861 17822 7991 1 12 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.428 0.208 17822 7992 1 12 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.395 -0.622 17822 7993 1 12 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.752 0.048 17822 7994 1 12 . 1 1 109 109 LYS H H 109 8.548 8.548 8.616 -0.068 17822 7995 1 12 . 1 1 110 110 VAL N N 110 125.626 125.626 127.929 -2.303 17822 7996 1 12 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.091 -0.015 17822 7997 1 12 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.478 -0.914 17822 7998 1 12 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.069 1.823 17822 7999 1 12 . 1 1 110 110 VAL H H 110 8.850 8.850 9.003 -0.153 17822 8000 1 12 . 1 1 111 111 ASN N N 111 126.837 126.837 127.145 -0.308 17822 8001 1 12 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.359 -0.071 17822 8002 1 12 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.396 0.913 17822 8003 1 12 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.770 -0.301 17822 8004 1 12 . 1 1 111 111 ASN H H 111 8.711 8.711 8.480 0.231 17822 8005 1 12 . 1 1 112 112 ILE N N 112 125.729 125.729 124.117 1.612 17822 8006 1 12 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.375 0.009 17822 8007 1 12 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.022 -0.833 17822 8008 1 12 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.310 0.542 17822 8009 1 12 . 1 1 112 112 ILE H H 112 8.931 8.931 8.447 0.484 17822 8010 1 12 . 1 1 113 113 ASP N N 113 122.734 122.734 127.060 -4.326 17822 8011 1 12 . 1 1 113 113 ASP HA H 113 5.790 5.790 6.031 -0.241 17822 8012 1 12 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.414 -1.209 17822 8013 1 12 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.342 -0.821 17822 8014 1 12 . 1 1 113 113 ASP H H 113 8.116 8.116 8.600 -0.484 17822 8015 1 12 . 1 1 114 114 PHE N N 114 116.385 116.385 119.640 -3.255 17822 8016 1 12 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.694 0.009 17822 8017 1 12 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.427 0.035 17822 8018 1 12 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.441 -0.734 17822 8019 1 12 . 1 1 114 114 PHE H H 114 8.613 8.613 8.241 0.372 17822 8020 1 12 . 1 1 115 115 GLU N N 115 124.642 124.642 120.159 4.483 17822 8021 1 12 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.381 0.412 17822 8022 1 12 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.230 -1.527 17822 8023 1 12 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.596 1.529 17822 8024 1 12 . 1 1 115 115 GLU H H 115 8.591 8.591 8.238 0.353 17822 8025 1 12 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.070 0.513 17822 8026 1 12 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.282 0.069 17822 8027 1 12 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.128 -1.166 17822 8028 1 12 . 1 1 117 117 PHE N N 117 116.676 116.676 113.136 3.540 17822 8029 1 12 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.626 -0.432 17822 8030 1 12 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.389 1.250 17822 8031 1 12 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.479 -1.727 17822 8032 1 12 . 1 1 117 117 PHE H H 117 7.842 7.842 8.467 -0.625 17822 8033 1 12 . 1 1 118 118 LYS N N 118 118.589 118.589 119.498 -0.909 17822 8034 1 12 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.324 -0.141 17822 8035 1 12 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.285 0.049 17822 8036 1 12 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.726 1.467 17822 8037 1 12 . 1 1 118 118 LYS H H 118 6.889 6.889 7.077 -0.188 17822 8038 1 12 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.489 0.034 17822 8039 1 12 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.214 0.402 17822 8040 1 12 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.296 -0.124 17822 8041 1 12 . 1 1 120 120 ILE N N 120 121.968 121.968 123.007 -1.039 17822 8042 1 12 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.106 -0.200 17822 8043 1 12 . 1 1 120 120 ILE CA C 120 60.418 60.418 59.020 1.399 17822 8044 1 12 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.110 0.695 17822 8045 1 12 . 1 1 120 120 ILE H H 120 7.440 7.440 7.802 -0.362 17822 8046 1 12 . 1 1 121 121 ASN N N 121 120.951 120.951 126.178 -5.227 17822 8047 1 12 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.413 0.219 17822 8048 1 12 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.222 -1.340 17822 8049 1 12 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.579 0.719 17822 8050 1 12 . 1 1 121 121 ASN H H 121 8.112 8.112 8.678 -0.566 17822 8051 1 12 . 1 1 122 122 GLN N N 122 118.826 118.826 115.215 3.611 17822 8052 1 12 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.364 0.048 17822 8053 1 12 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.821 -0.423 17822 8054 1 12 . 1 1 122 122 GLN CB C 122 31.486 31.486 29.837 1.649 17822 8055 1 12 . 1 1 122 122 GLN H H 122 7.009 7.009 7.654 -0.645 17822 8056 1 12 . 1 1 123 123 PHE N N 123 122.795 122.795 118.591 4.204 17822 8057 1 12 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.424 0.290 17822 8058 1 12 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.149 -0.942 17822 8059 1 12 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.449 1.269 17822 8060 1 12 . 1 1 123 123 PHE H H 123 8.335 8.335 8.625 -0.290 17822 8061 1 12 . 1 1 124 124 MET N N 124 126.990 126.990 126.305 0.685 17822 8062 1 12 . 1 1 124 124 MET HA H 124 3.984 3.984 4.481 -0.497 17822 8063 1 12 . 1 1 124 124 MET CA C 124 54.799 54.799 54.254 0.545 17822 8064 1 12 . 1 1 124 124 MET CB C 124 37.330 37.330 35.601 1.729 17822 8065 1 12 . 1 1 124 124 MET H H 124 7.992 7.992 7.811 0.181 17822 8066 1 12 . 1 1 125 125 TYR N N 125 122.216 122.216 125.513 -3.297 17822 8067 1 12 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.514 0.390 17822 8068 1 12 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.222 -0.473 17822 8069 1 12 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.606 0.547 17822 8070 1 12 . 1 1 125 125 TYR H H 125 7.552 7.552 8.162 -0.610 17822 8071 1 12 . 1 1 126 126 PHE N N 126 124.584 124.584 118.372 6.212 17822 8072 1 12 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.663 -0.588 17822 8073 1 12 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.849 0.556 17822 8074 1 12 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.807 3.611 17822 8075 1 12 . 1 1 126 126 PHE H H 126 8.271 8.271 6.625 1.646 17822 8076 1 12 . 1 1 127 127 CYS N N 127 124.011 124.011 120.074 3.937 17822 8077 1 12 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.582 0.214 17822 8078 1 12 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.867 -0.027 17822 8079 1 12 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.813 -4.882 17822 8080 1 12 . 1 1 127 127 CYS H H 127 8.442 8.442 8.946 -0.504 17822 8081 1 12 . 1 1 128 128 ASP N N 128 127.486 127.486 122.333 5.153 17822 8082 1 12 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.648 0.358 17822 8083 1 12 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.629 -2.123 17822 8084 1 12 . 1 1 128 128 ASP CB C 128 44.396 44.396 42.148 2.248 17822 8085 1 12 . 1 1 128 128 ASP H H 128 8.907 8.907 8.493 0.414 17822 8086 1 12 . 1 1 129 129 ASN N N 129 119.092 119.092 115.231 3.861 17822 8087 1 12 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.323 0.341 17822 8088 1 12 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.153 -1.418 17822 8089 1 12 . 1 1 129 129 ASN CB C 129 37.902 37.902 36.863 1.039 17822 8090 1 12 . 1 1 129 129 ASN H H 129 9.136 9.136 8.518 0.618 17822 8091 1 12 . 1 1 130 130 LYS N N 130 114.367 114.367 113.790 0.577 17822 8092 1 12 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.432 -0.269 17822 8093 1 12 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.458 -1.232 17822 8094 1 12 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.827 0.265 17822 8095 1 12 . 1 1 130 130 LYS H H 130 7.115 7.115 7.194 -0.079 17822 8096 1 12 . 1 1 131 131 PHE N N 131 121.117 121.117 121.805 -0.688 17822 8097 1 12 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.477 0.038 17822 8098 1 12 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.541 -2.391 17822 8099 1 12 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.925 -0.836 17822 8100 1 12 . 1 1 131 131 PHE H H 131 9.291 9.291 8.784 0.507 17822 8101 1 12 . 1 1 132 132 HIS N N 132 121.897 121.897 123.660 -1.763 17822 8102 1 12 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.881 -0.498 17822 8103 1 12 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.648 0.355 17822 8104 1 12 . 1 1 132 132 HIS CB C 132 28.343 28.343 31.097 -2.754 17822 8105 1 12 . 1 1 132 132 HIS H H 132 9.026 9.026 8.534 0.492 17822 8106 1 12 . 1 1 133 133 THR N N 133 117.915 117.915 118.021 -0.106 17822 8107 1 12 . 1 1 133 133 THR HA H 133 4.612 4.612 4.728 -0.116 17822 8108 1 12 . 1 1 133 133 THR CA C 133 61.679 61.679 61.497 0.182 17822 8109 1 12 . 1 1 133 133 THR CB C 133 73.856 73.856 70.880 2.976 17822 8110 1 12 . 1 1 133 133 THR H H 133 8.700 8.700 8.461 0.239 17822 8111 1 12 . 1 1 134 134 GLU N N 134 129.072 129.072 128.320 0.752 17822 8112 1 12 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.160 -0.181 17822 8113 1 12 . 1 1 134 134 GLU CA C 134 60.533 60.533 58.780 1.753 17822 8114 1 12 . 1 1 134 134 GLU CB C 134 27.503 27.503 30.091 -2.588 17822 8115 1 12 . 1 1 134 134 GLU H H 134 10.805 10.805 8.480 2.325 17822 8116 1 12 . 1 1 135 135 ALA N N 135 122.099 122.099 122.253 -0.154 17822 8117 1 12 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.058 0.013 17822 8118 1 12 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.119 -0.606 17822 8119 1 12 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.724 1.038 17822 8120 1 12 . 1 1 135 135 ALA H H 135 8.590 8.590 8.651 -0.061 17822 8121 1 12 . 1 1 136 136 LEU N N 136 116.720 116.720 117.835 -1.115 17822 8122 1 12 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.985 0.069 17822 8123 1 12 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.923 -1.346 17822 8124 1 12 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.536 -0.225 17822 8125 1 12 . 1 1 136 136 LEU H H 136 7.471 7.471 7.847 -0.376 17822 8126 1 12 . 1 1 137 137 THR N N 137 117.177 117.177 112.706 4.471 17822 8127 1 12 . 1 1 137 137 THR HA H 137 4.005 4.005 4.036 -0.031 17822 8128 1 12 . 1 1 137 137 THR CA C 137 66.610 66.610 65.112 1.498 17822 8129 1 12 . 1 1 137 137 THR CB C 137 67.980 67.980 68.880 -0.900 17822 8130 1 12 . 1 1 137 137 THR H H 137 8.044 8.044 7.572 0.472 17822 8131 1 12 . 1 1 138 138 ALA N N 138 124.719 124.719 124.359 0.360 17822 8132 1 12 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.130 -0.129 17822 8133 1 12 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.979 -0.065 17822 8134 1 12 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.924 -1.427 17822 8135 1 12 . 1 1 138 138 ALA H H 138 7.695 7.695 8.189 -0.494 17822 8136 1 12 . 1 1 139 139 LEU N N 139 120.059 120.059 120.789 -0.730 17822 8137 1 12 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.041 -0.042 17822 8138 1 12 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.020 -0.526 17822 8139 1 12 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.749 1.063 17822 8140 1 12 . 1 1 139 139 LEU H H 139 7.345 7.345 8.366 -1.021 17822 8141 1 12 . 1 1 140 140 LEU N N 140 117.771 117.771 119.100 -1.329 17822 8142 1 12 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.037 -0.080 17822 8143 1 12 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.064 -1.086 17822 8144 1 12 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.753 0.486 17822 8145 1 12 . 1 1 140 140 LEU H H 140 7.748 7.748 7.931 -0.183 17822 8146 1 12 . 1 1 141 141 SER N N 141 114.778 114.778 113.209 1.569 17822 8147 1 12 . 1 1 141 141 SER HA H 141 4.107 4.107 4.251 -0.144 17822 8148 1 12 . 1 1 141 141 SER CA C 141 60.647 60.647 60.744 -0.097 17822 8149 1 12 . 1 1 141 141 SER CB C 141 62.650 62.650 63.120 -0.469 17822 8150 1 12 . 1 1 141 141 SER H H 141 7.807 7.807 8.027 -0.220 17822 8151 1 12 . 1 1 142 142 ASP N N 142 121.827 121.827 121.595 0.232 17822 8152 1 12 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.449 -0.091 17822 8153 1 12 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.543 -0.482 17822 8154 1 12 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.307 -0.698 17822 8155 1 12 . 1 1 142 142 ASP H H 142 7.878 7.878 7.931 -0.053 17822 8156 1 12 . 1 1 143 143 LEU N N 143 120.220 120.220 118.047 2.173 17822 8157 1 12 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.276 -0.304 17822 8158 1 12 . 1 1 143 143 LEU CA C 143 56.462 56.462 57.003 -0.541 17822 8159 1 12 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.532 -0.318 17822 8160 1 12 . 1 1 143 143 LEU H H 143 7.846 7.846 7.821 0.025 17822 8161 1 13 . 1 1 2 2 ALA N N 2 125.964 125.964 125.698 0.266 17822 8162 1 13 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.608 0.004 17822 8163 1 13 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.047 0.245 17822 8164 1 13 . 1 1 2 2 ALA H H 2 8.065 8.065 8.260 -0.195 17822 8165 1 13 . 1 1 3 3 ASP N N 3 119.188 119.188 117.838 1.350 17822 8166 1 13 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.728 -0.118 17822 8167 1 13 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.386 -0.504 17822 8168 1 13 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.579 -0.769 17822 8169 1 13 . 1 1 3 3 ASP H H 3 8.203 8.203 8.592 -0.389 17822 8170 1 13 . 1 1 4 4 ASP N N 4 121.607 121.607 119.876 1.731 17822 8171 1 13 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.968 -0.596 17822 8172 1 13 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.838 -0.077 17822 8173 1 13 . 1 1 4 4 ASP CB C 4 40.910 40.910 43.021 -2.111 17822 8174 1 13 . 1 1 4 4 ASP H H 4 7.954 7.954 8.217 -0.263 17822 8175 1 13 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.400 -0.148 17822 8176 1 13 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.670 -1.302 17822 8177 1 13 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.214 -0.355 17822 8178 1 13 . 1 1 6 6 SER N N 6 115.864 115.864 114.191 1.673 17822 8179 1 13 . 1 1 6 6 SER HA H 6 4.252 4.252 4.271 -0.019 17822 8180 1 13 . 1 1 6 6 SER CA C 6 58.870 58.870 60.662 -1.792 17822 8181 1 13 . 1 1 6 6 SER CB C 6 63.368 63.368 62.556 0.812 17822 8182 1 13 . 1 1 6 6 SER H H 6 8.310 8.310 8.126 0.184 17822 8183 1 13 . 1 1 7 7 ALA N N 7 125.955 125.955 123.510 2.445 17822 8184 1 13 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.137 -0.138 17822 8185 1 13 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.962 -0.653 17822 8186 1 13 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.031 0.520 17822 8187 1 13 . 1 1 7 7 ALA H H 7 7.854 7.854 8.462 -0.608 17822 8188 1 13 . 1 1 8 8 ALA N N 8 122.354 122.354 122.209 0.145 17822 8189 1 13 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.005 -0.208 17822 8190 1 13 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.075 -1.480 17822 8191 1 13 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.210 0.242 17822 8192 1 13 . 1 1 8 8 ALA H H 8 7.910 7.910 7.768 0.142 17822 8193 1 13 . 1 1 9 9 ASP N N 9 119.431 119.431 118.257 1.174 17822 8194 1 13 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.334 -0.015 17822 8195 1 13 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.148 -2.006 17822 8196 1 13 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.227 0.396 17822 8197 1 13 . 1 1 9 9 ASP H H 9 7.970 7.970 7.913 0.057 17822 8198 1 13 . 1 1 10 10 ARG N N 10 122.263 122.263 120.099 2.164 17822 8199 1 13 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.454 -0.618 17822 8200 1 13 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.673 -0.893 17822 8201 1 13 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.299 -0.418 17822 8202 1 13 . 1 1 10 10 ARG H H 10 8.036 8.036 8.043 -0.007 17822 8203 1 13 . 1 1 11 11 ASN N N 11 118.325 118.325 118.065 0.260 17822 8204 1 13 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.383 -0.080 17822 8205 1 13 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.932 -0.789 17822 8206 1 13 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.338 -0.536 17822 8207 1 13 . 1 1 11 11 ASN H H 11 8.077 8.077 7.711 0.366 17822 8208 1 13 . 1 1 12 12 VAL N N 12 122.103 122.103 120.971 1.132 17822 8209 1 13 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.647 0.968 17822 8210 1 13 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.735 -0.114 17822 8211 1 13 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.127 0.359 17822 8212 1 13 . 1 1 12 12 VAL H H 12 7.741 7.741 7.934 -0.193 17822 8213 1 13 . 1 1 13 13 GLU N N 13 120.785 120.785 120.160 0.625 17822 8214 1 13 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.839 -0.605 17822 8215 1 13 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.478 5.583 17822 8216 1 13 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.865 0.903 17822 8217 1 13 . 1 1 13 13 GLU H H 13 7.751 7.751 7.581 0.170 17822 8218 1 13 . 1 1 14 14 ILE N N 14 120.199 120.199 120.194 0.005 17822 8219 1 13 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.679 0.109 17822 8220 1 13 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.749 -5.567 17822 8221 1 13 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.365 -1.371 17822 8222 1 13 . 1 1 14 14 ILE H H 14 7.650 7.650 7.196 0.454 17822 8223 1 13 . 1 1 15 15 TRP N N 15 120.828 120.828 117.738 3.090 17822 8224 1 13 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.629 -0.576 17822 8225 1 13 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.600 2.990 17822 8226 1 13 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.715 -0.271 17822 8227 1 13 . 1 1 15 15 TRP H H 15 7.759 7.759 7.148 0.611 17822 8228 1 13 . 1 1 16 16 LYS N N 16 119.063 119.063 122.205 -3.142 17822 8229 1 13 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.188 -0.698 17822 8230 1 13 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.091 1.878 17822 8231 1 13 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.995 0.183 17822 8232 1 13 . 1 1 16 16 LYS H H 16 7.963 7.963 7.737 0.226 17822 8233 1 13 . 1 1 17 17 ILE N N 17 120.609 120.609 119.427 1.182 17822 8234 1 13 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.839 -0.228 17822 8235 1 13 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.206 -0.750 17822 8236 1 13 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.513 -1.215 17822 8237 1 13 . 1 1 17 17 ILE H H 17 7.630 7.630 8.401 -0.771 17822 8238 1 13 . 1 1 18 18 LYS N N 18 121.687 121.687 119.332 2.355 17822 8239 1 13 . 1 1 18 18 LYS HA H 18 3.583 3.583 3.980 -0.397 17822 8240 1 13 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.630 1.300 17822 8241 1 13 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.547 0.535 17822 8242 1 13 . 1 1 18 18 LYS H H 18 8.297 8.297 7.715 0.582 17822 8243 1 13 . 1 1 19 19 LYS N N 19 119.253 119.253 118.528 0.725 17822 8244 1 13 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.106 -0.489 17822 8245 1 13 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.472 0.513 17822 8246 1 13 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.074 -0.215 17822 8247 1 13 . 1 1 19 19 LYS H H 19 7.685 7.685 7.655 0.030 17822 8248 1 13 . 1 1 20 20 LEU N N 20 123.001 123.001 122.173 0.828 17822 8249 1 13 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.913 -0.088 17822 8250 1 13 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.627 0.154 17822 8251 1 13 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.092 -0.681 17822 8252 1 13 . 1 1 20 20 LEU H H 20 7.509 7.509 7.684 -0.175 17822 8253 1 13 . 1 1 21 21 ILE N N 21 119.392 119.392 118.454 0.938 17822 8254 1 13 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.725 -0.655 17822 8255 1 13 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.233 3.262 17822 8256 1 13 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.061 1.142 17822 8257 1 13 . 1 1 21 21 ILE H H 21 8.474 8.474 7.707 0.767 17822 8258 1 13 . 1 1 22 22 LYS N N 22 117.524 117.524 118.830 -1.306 17822 8259 1 13 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.066 -0.260 17822 8260 1 13 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.184 -0.371 17822 8261 1 13 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.342 -0.455 17822 8262 1 13 . 1 1 22 22 LYS H H 22 7.300 7.300 7.544 -0.244 17822 8263 1 13 . 1 1 23 23 SER N N 23 114.880 114.880 114.722 0.158 17822 8264 1 13 . 1 1 23 23 SER HA H 23 4.008 4.008 4.252 -0.244 17822 8265 1 13 . 1 1 23 23 SER CA C 23 61.106 61.106 60.684 0.421 17822 8266 1 13 . 1 1 23 23 SER CB C 23 62.587 62.587 63.606 -1.019 17822 8267 1 13 . 1 1 23 23 SER H H 23 7.653 7.653 7.606 0.047 17822 8268 1 13 . 1 1 24 24 LEU N N 24 121.607 121.607 121.842 -0.235 17822 8269 1 13 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.486 0.386 17822 8270 1 13 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.606 -0.743 17822 8271 1 13 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.361 -0.072 17822 8272 1 13 . 1 1 24 24 LEU H H 24 8.158 8.158 8.294 -0.136 17822 8273 1 13 . 1 1 25 25 GLU N N 25 119.392 119.392 117.776 1.616 17822 8274 1 13 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.153 -0.272 17822 8275 1 13 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.568 0.015 17822 8276 1 13 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.313 -0.133 17822 8277 1 13 . 1 1 25 25 GLU H H 25 8.344 8.344 7.791 0.553 17822 8278 1 13 . 1 1 26 26 ALA N N 26 119.228 119.228 119.600 -0.372 17822 8279 1 13 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.388 -0.271 17822 8280 1 13 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.688 0.302 17822 8281 1 13 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.439 -0.486 17822 8282 1 13 . 1 1 26 26 ALA H H 26 7.154 7.154 7.423 -0.269 17822 8283 1 13 . 1 1 27 27 ALA N N 27 121.417 121.417 123.265 -1.848 17822 8284 1 13 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.217 -0.147 17822 8285 1 13 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.138 -0.670 17822 8286 1 13 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.126 0.177 17822 8287 1 13 . 1 1 27 27 ALA H H 27 6.833 6.833 7.428 -0.595 17822 8288 1 13 . 1 1 28 28 ARG N N 28 123.986 123.986 122.138 1.848 17822 8289 1 13 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.470 0.026 17822 8290 1 13 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.252 -1.083 17822 8291 1 13 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.716 0.245 17822 8292 1 13 . 1 1 28 28 ARG H H 28 8.679 8.679 8.064 0.615 17822 8293 1 13 . 1 1 29 29 GLY N N 29 109.466 109.466 107.847 1.619 17822 8294 1 13 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.876 -0.487 17822 8295 1 13 . 1 1 29 29 GLY H H 29 8.091 8.091 8.207 -0.116 17822 8296 1 13 . 1 1 30 30 ASN N N 30 120.048 120.048 117.275 2.773 17822 8297 1 13 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.579 0.076 17822 8298 1 13 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.139 -1.510 17822 8299 1 13 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.066 -1.264 17822 8300 1 13 . 1 1 30 30 ASN H H 30 8.419 8.419 8.515 -0.096 17822 8301 1 13 . 1 1 31 31 GLY N N 31 110.450 110.450 106.007 4.443 17822 8302 1 13 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.408 -0.722 17822 8303 1 13 . 1 1 31 31 GLY H H 31 8.071 8.071 8.588 -0.517 17822 8304 1 13 . 1 1 32 32 THR N N 32 112.929 112.929 117.065 -4.136 17822 8305 1 13 . 1 1 32 32 THR HA H 32 4.993 4.993 4.569 0.424 17822 8306 1 13 . 1 1 32 32 THR CA C 32 59.598 59.598 60.336 -0.738 17822 8307 1 13 . 1 1 32 32 THR H H 32 7.747 7.747 7.674 0.073 17822 8308 1 13 . 1 1 33 33 SER N N 33 115.208 115.208 115.565 -0.357 17822 8309 1 13 . 1 1 33 33 SER HA H 33 4.335 4.335 4.692 -0.357 17822 8310 1 13 . 1 1 33 33 SER CA C 33 58.067 58.067 57.344 0.723 17822 8311 1 13 . 1 1 33 33 SER CB C 33 64.572 64.572 64.378 0.194 17822 8312 1 13 . 1 1 33 33 SER H H 33 7.701 7.701 8.162 -0.461 17822 8313 1 13 . 1 1 34 34 MET N N 34 120.869 120.869 121.795 -0.926 17822 8314 1 13 . 1 1 34 34 MET HA H 34 4.666 4.666 4.838 -0.172 17822 8315 1 13 . 1 1 34 34 MET CA C 34 54.799 54.799 53.343 1.456 17822 8316 1 13 . 1 1 34 34 MET CB C 34 34.700 34.700 34.122 0.578 17822 8317 1 13 . 1 1 34 34 MET H H 34 8.679 8.679 8.261 0.418 17822 8318 1 13 . 1 1 35 35 ILE N N 35 126.806 126.806 120.004 6.802 17822 8319 1 13 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.239 1.931 17822 8320 1 13 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.071 -0.169 17822 8321 1 13 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.104 -1.431 17822 8322 1 13 . 1 1 35 35 ILE H H 35 9.562 9.562 8.084 1.478 17822 8323 1 13 . 1 1 36 36 SER N N 36 122.217 122.217 121.576 0.641 17822 8324 1 13 . 1 1 36 36 SER HA H 36 4.968 4.968 5.173 -0.205 17822 8325 1 13 . 1 1 36 36 SER CA C 36 56.602 56.602 57.300 -0.698 17822 8326 1 13 . 1 1 36 36 SER CB C 36 64.572 64.572 64.140 0.432 17822 8327 1 13 . 1 1 36 36 SER H H 36 8.422 8.422 8.058 0.364 17822 8328 1 13 . 1 1 37 37 LEU N N 37 128.938 128.938 124.161 4.777 17822 8329 1 13 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.868 0.113 17822 8330 1 13 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.533 -0.052 17822 8331 1 13 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.595 -0.219 17822 8332 1 13 . 1 1 37 37 LEU H H 37 8.916 8.916 7.710 1.206 17822 8333 1 13 . 1 1 38 38 ILE N N 38 128.296 128.296 115.284 13.012 17822 8334 1 13 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.948 0.024 17822 8335 1 13 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.533 0.312 17822 8336 1 13 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.034 -2.029 17822 8337 1 13 . 1 1 38 38 ILE H H 38 8.740 8.740 8.373 0.367 17822 8338 1 13 . 1 1 39 39 ILE N N 39 125.429 125.429 123.694 1.735 17822 8339 1 13 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.661 -0.262 17822 8340 1 13 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.465 -0.742 17822 8341 1 13 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.444 2.217 17822 8342 1 13 . 1 1 39 39 ILE H H 39 8.960 8.960 8.237 0.723 17822 8343 1 13 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.794 -0.387 17822 8344 1 13 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.588 5.594 17822 8345 1 13 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.078 0.294 17822 8346 1 13 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.349 -0.528 17822 8347 1 13 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.309 3.506 17822 8348 1 13 . 1 1 41 41 PRO CB C 41 32.177 32.177 32.054 0.123 17822 8349 1 13 . 1 1 42 42 LYS N N 42 113.683 113.683 118.299 -4.616 17822 8350 1 13 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.472 -0.516 17822 8351 1 13 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.928 0.878 17822 8352 1 13 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.107 -1.925 17822 8353 1 13 . 1 1 42 42 LYS H H 42 8.004 8.004 8.342 -0.338 17822 8354 1 13 . 1 1 43 43 ASP N N 43 121.628 121.628 118.344 3.284 17822 8355 1 13 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.800 -0.365 17822 8356 1 13 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.585 -0.079 17822 8357 1 13 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.754 -1.539 17822 8358 1 13 . 1 1 43 43 ASP H H 43 7.290 7.290 7.494 -0.204 17822 8359 1 13 . 1 1 44 44 GLN N N 44 117.587 117.587 118.941 -1.354 17822 8360 1 13 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.582 -0.045 17822 8361 1 13 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.474 -0.535 17822 8362 1 13 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.236 0.308 17822 8363 1 13 . 1 1 44 44 GLN H H 44 9.610 9.610 8.358 1.252 17822 8364 1 13 . 1 1 45 45 ILE N N 45 126.939 126.939 124.232 2.707 17822 8365 1 13 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.665 -0.364 17822 8366 1 13 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.289 -1.005 17822 8367 1 13 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.527 -1.894 17822 8368 1 13 . 1 1 45 45 ILE H H 45 8.806 8.806 9.150 -0.344 17822 8369 1 13 . 1 1 46 46 SER N N 46 113.239 113.239 114.923 -1.684 17822 8370 1 13 . 1 1 46 46 SER HA H 46 3.931 3.931 4.187 -0.256 17822 8371 1 13 . 1 1 46 46 SER CA C 46 60.762 60.762 60.884 -0.122 17822 8372 1 13 . 1 1 46 46 SER CB C 46 61.464 61.464 62.732 -1.268 17822 8373 1 13 . 1 1 46 46 SER H H 46 8.476 8.476 8.374 0.102 17822 8374 1 13 . 1 1 47 47 ARG N N 47 124.530 124.530 122.756 1.774 17822 8375 1 13 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.015 -0.224 17822 8376 1 13 . 1 1 47 47 ARG CA C 47 58.927 58.927 59.002 -0.075 17822 8377 1 13 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.583 1.000 17822 8378 1 13 . 1 1 47 47 ARG H H 47 6.731 6.731 7.608 -0.877 17822 8379 1 13 . 1 1 48 48 VAL N N 48 121.935 121.935 119.084 2.851 17822 8380 1 13 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.666 -0.519 17822 8381 1 13 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.958 -0.750 17822 8382 1 13 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.701 -0.233 17822 8383 1 13 . 1 1 48 48 VAL H H 48 7.257 7.257 7.579 -0.322 17822 8384 1 13 . 1 1 49 49 ALA N N 49 122.345 122.345 119.698 2.647 17822 8385 1 13 . 1 1 49 49 ALA HA H 49 3.882 3.882 3.995 -0.113 17822 8386 1 13 . 1 1 49 49 ALA CA C 49 55.143 55.143 55.019 0.124 17822 8387 1 13 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.188 -0.538 17822 8388 1 13 . 1 1 49 49 ALA H H 49 8.864 8.864 7.750 1.114 17822 8389 1 13 . 1 1 50 50 LYS N N 50 120.376 120.376 119.791 0.585 17822 8390 1 13 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.153 -0.250 17822 8391 1 13 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.645 0.282 17822 8392 1 13 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.358 -0.772 17822 8393 1 13 . 1 1 50 50 LYS H H 50 7.380 7.380 7.780 -0.400 17822 8394 1 13 . 1 1 51 51 MET N N 51 121.641 121.641 118.040 3.601 17822 8395 1 13 . 1 1 51 51 MET HA H 51 3.935 3.935 4.145 -0.210 17822 8396 1 13 . 1 1 51 51 MET CA C 51 58.927 58.927 58.595 0.332 17822 8397 1 13 . 1 1 51 51 MET CB C 51 30.734 30.734 32.049 -1.315 17822 8398 1 13 . 1 1 51 51 MET H H 51 7.508 7.508 7.883 -0.375 17822 8399 1 13 . 1 1 52 52 LEU N N 52 120.125 120.125 120.095 0.030 17822 8400 1 13 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.199 -0.542 17822 8401 1 13 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.191 0.245 17822 8402 1 13 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.638 -0.084 17822 8403 1 13 . 1 1 52 52 LEU H H 52 8.203 8.203 7.846 0.357 17822 8404 1 13 . 1 1 53 53 ALA N N 53 123.639 123.639 121.930 1.709 17822 8405 1 13 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.883 0.062 17822 8406 1 13 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.317 -0.518 17822 8407 1 13 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.698 -0.449 17822 8408 1 13 . 1 1 53 53 ALA H H 53 7.775 7.775 7.534 0.241 17822 8409 1 13 . 1 1 54 54 ASP N N 54 123.165 123.165 118.026 5.139 17822 8410 1 13 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.406 -0.077 17822 8411 1 13 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.966 0.241 17822 8412 1 13 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.633 -1.528 17822 8413 1 13 . 1 1 54 54 ASP H H 54 8.156 8.156 7.672 0.484 17822 8414 1 13 . 1 1 55 55 GLU N N 55 122.017 122.017 119.386 2.631 17822 8415 1 13 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.076 -0.200 17822 8416 1 13 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.969 -0.387 17822 8417 1 13 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.469 -0.450 17822 8418 1 13 . 1 1 55 55 GLU H H 55 8.221 8.221 7.525 0.696 17822 8419 1 13 . 1 1 56 56 PHE N N 56 123.334 123.334 121.632 1.702 17822 8420 1 13 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.258 0.423 17822 8421 1 13 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.309 0.206 17822 8422 1 13 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.823 0.389 17822 8423 1 13 . 1 1 56 56 PHE H H 56 8.711 8.711 8.141 0.570 17822 8424 1 13 . 1 1 57 57 GLY N N 57 107.156 107.156 106.086 1.070 17822 8425 1 13 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.438 0.045 17822 8426 1 13 . 1 1 57 57 GLY H H 57 7.985 7.985 8.081 -0.096 17822 8427 1 13 . 1 1 58 58 THR N N 58 118.940 118.940 117.277 1.663 17822 8428 1 13 . 1 1 58 58 THR HA H 58 4.062 4.062 4.210 -0.148 17822 8429 1 13 . 1 1 58 58 THR CA C 58 65.406 65.406 64.755 0.651 17822 8430 1 13 . 1 1 58 58 THR CB C 58 68.408 68.408 68.666 -0.258 17822 8431 1 13 . 1 1 58 58 THR H H 58 7.992 7.992 7.729 0.263 17822 8432 1 13 . 1 1 59 59 ALA N N 59 126.365 126.365 125.026 1.339 17822 8433 1 13 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.056 -0.128 17822 8434 1 13 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.850 -0.911 17822 8435 1 13 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.818 0.333 17822 8436 1 13 . 1 1 59 59 ALA H H 59 8.351 8.351 8.134 0.217 17822 8437 1 13 . 1 1 60 60 SER N N 60 112.435 112.435 112.192 0.243 17822 8438 1 13 . 1 1 60 60 SER HA H 60 4.632 4.632 4.132 0.500 17822 8439 1 13 . 1 1 60 60 SER CA C 60 61.220 61.220 59.931 1.289 17822 8440 1 13 . 1 1 60 60 SER CB C 60 62.686 62.686 62.833 -0.147 17822 8441 1 13 . 1 1 60 60 SER H H 60 7.459 7.459 7.778 -0.319 17822 8442 1 13 . 1 1 61 61 ASN N N 61 116.971 116.971 119.466 -2.495 17822 8443 1 13 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.669 -0.156 17822 8444 1 13 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.631 -0.609 17822 8445 1 13 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.744 0.261 17822 8446 1 13 . 1 1 61 61 ASN H H 61 7.372 7.372 7.884 -0.512 17822 8447 1 13 . 1 1 62 62 ILE N N 62 123.980 123.980 121.920 2.060 17822 8448 1 13 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.856 -0.220 17822 8449 1 13 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.476 0.952 17822 8450 1 13 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.036 -0.606 17822 8451 1 13 . 1 1 62 62 ILE H H 62 7.461 7.461 7.398 0.063 17822 8452 1 13 . 1 1 63 63 LYS N N 63 128.982 128.982 125.528 3.454 17822 8453 1 13 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.102 -0.305 17822 8454 1 13 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.989 0.709 17822 8455 1 13 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.578 0.128 17822 8456 1 13 . 1 1 63 63 LYS H H 63 8.417 8.417 8.321 0.096 17822 8457 1 13 . 1 1 64 64 SER N N 64 114.306 114.306 118.320 -4.014 17822 8458 1 13 . 1 1 64 64 SER HA H 64 4.616 4.616 4.552 0.064 17822 8459 1 13 . 1 1 64 64 SER CA C 64 56.749 56.749 57.827 -1.078 17822 8460 1 13 . 1 1 64 64 SER CB C 64 62.962 62.962 63.301 -0.339 17822 8461 1 13 . 1 1 64 64 SER H H 64 7.599 7.599 8.049 -0.450 17822 8462 1 13 . 1 1 65 65 ARG N N 65 132.125 132.125 128.268 3.857 17822 8463 1 13 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.911 0.395 17822 8464 1 13 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.643 0.259 17822 8465 1 13 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.759 3.339 17822 8466 1 13 . 1 1 65 65 ARG H H 65 8.689 8.689 8.706 -0.017 17822 8467 1 13 . 1 1 66 66 VAL N N 66 116.947 116.947 119.008 -2.061 17822 8468 1 13 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.624 -0.073 17822 8469 1 13 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.234 -0.771 17822 8470 1 13 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.680 0.905 17822 8471 1 13 . 1 1 66 66 VAL H H 66 7.946 7.946 8.312 -0.366 17822 8472 1 13 . 1 1 67 67 ASN N N 67 119.499 119.499 117.409 2.090 17822 8473 1 13 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.381 0.031 17822 8474 1 13 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.114 -0.741 17822 8475 1 13 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.254 -0.218 17822 8476 1 13 . 1 1 67 67 ASN H H 67 7.386 7.386 7.747 -0.361 17822 8477 1 13 . 1 1 68 68 ARG N N 68 122.132 122.132 121.533 0.599 17822 8478 1 13 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.897 -0.303 17822 8479 1 13 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.448 0.350 17822 8480 1 13 . 1 1 68 68 ARG CB C 68 30.559 30.559 29.997 0.562 17822 8481 1 13 . 1 1 68 68 ARG H H 68 8.566 8.566 7.632 0.934 17822 8482 1 13 . 1 1 69 69 LEU N N 69 116.564 116.564 120.135 -3.571 17822 8483 1 13 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.020 -0.237 17822 8484 1 13 . 1 1 69 69 LEU CA C 69 57.895 57.895 58.063 -0.168 17822 8485 1 13 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.663 -0.055 17822 8486 1 13 . 1 1 69 69 LEU H H 69 8.167 8.167 8.566 -0.399 17822 8487 1 13 . 1 1 70 70 SER N N 70 116.805 116.805 112.459 4.346 17822 8488 1 13 . 1 1 70 70 SER HA H 70 4.132 4.132 4.174 -0.042 17822 8489 1 13 . 1 1 70 70 SER CA C 70 61.450 61.450 61.459 -0.009 17822 8490 1 13 . 1 1 70 70 SER CB C 70 62.635 62.635 62.727 -0.092 17822 8491 1 13 . 1 1 70 70 SER H H 70 7.589 7.589 7.743 -0.154 17822 8492 1 13 . 1 1 71 71 VAL N N 71 124.991 124.991 122.090 2.901 17822 8493 1 13 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.876 -0.393 17822 8494 1 13 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.751 1.088 17822 8495 1 13 . 1 1 71 71 VAL CB C 71 31.649 31.649 32.023 -0.374 17822 8496 1 13 . 1 1 71 71 VAL H H 71 7.934 7.934 7.766 0.168 17822 8497 1 13 . 1 1 72 72 LEU N N 72 118.680 118.680 119.842 -1.162 17822 8498 1 13 . 1 1 72 72 LEU HA H 72 3.721 3.721 3.956 -0.235 17822 8499 1 13 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.024 0.215 17822 8500 1 13 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.744 -0.446 17822 8501 1 13 . 1 1 72 72 LEU H H 72 8.354 8.354 8.714 -0.360 17822 8502 1 13 . 1 1 73 73 GLY N N 73 106.674 106.674 105.665 1.009 17822 8503 1 13 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.847 0.098 17822 8504 1 13 . 1 1 73 73 GLY H H 73 8.052 8.052 8.698 -0.646 17822 8505 1 13 . 1 1 74 74 ALA N N 74 127.313 127.313 125.042 2.271 17822 8506 1 13 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.137 0.016 17822 8507 1 13 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.070 1.303 17822 8508 1 13 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.605 -0.799 17822 8509 1 13 . 1 1 74 74 ALA H H 74 7.784 7.784 7.439 0.345 17822 8510 1 13 . 1 1 75 75 ILE N N 75 119.310 119.310 118.888 0.422 17822 8511 1 13 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.646 -0.284 17822 8512 1 13 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.912 0.698 17822 8513 1 13 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.156 0.268 17822 8514 1 13 . 1 1 75 75 ILE H H 75 8.638 8.638 8.639 -0.001 17822 8515 1 13 . 1 1 76 76 THR N N 76 116.205 116.205 112.736 3.469 17822 8516 1 13 . 1 1 76 76 THR HA H 76 4.227 4.227 3.925 0.302 17822 8517 1 13 . 1 1 76 76 THR CA C 76 66.782 66.782 66.778 0.004 17822 8518 1 13 . 1 1 76 76 THR CB C 76 68.478 68.478 68.467 0.011 17822 8519 1 13 . 1 1 76 76 THR H H 76 8.317 8.317 8.000 0.317 17822 8520 1 13 . 1 1 77 77 SER N N 77 118.405 118.405 117.810 0.595 17822 8521 1 13 . 1 1 77 77 SER HA H 77 4.173 4.173 4.231 -0.058 17822 8522 1 13 . 1 1 77 77 SER CA C 77 62.482 62.482 61.247 1.235 17822 8523 1 13 . 1 1 77 77 SER CB C 77 63.484 63.484 63.175 0.309 17822 8524 1 13 . 1 1 77 77 SER H H 77 7.843 7.843 7.694 0.149 17822 8525 1 13 . 1 1 78 78 VAL N N 78 124.171 124.171 120.844 3.327 17822 8526 1 13 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.868 -0.295 17822 8527 1 13 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.424 1.300 17822 8528 1 13 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.723 -0.739 17822 8529 1 13 . 1 1 78 78 VAL H H 78 8.153 8.153 7.603 0.550 17822 8530 1 13 . 1 1 79 79 GLN N N 79 120.008 120.008 119.296 0.712 17822 8531 1 13 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.891 0.038 17822 8532 1 13 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.680 -0.294 17822 8533 1 13 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.392 0.387 17822 8534 1 13 . 1 1 79 79 GLN H H 79 8.688 8.688 8.695 -0.007 17822 8535 1 13 . 1 1 80 80 GLN N N 80 116.870 116.870 116.985 -0.115 17822 8536 1 13 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.105 -0.330 17822 8537 1 13 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.517 0.009 17822 8538 1 13 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.566 -0.589 17822 8539 1 13 . 1 1 80 80 GLN H H 80 7.850 7.850 7.749 0.101 17822 8540 1 13 . 1 1 81 81 ARG N N 81 119.074 119.074 118.717 0.357 17822 8541 1 13 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.192 -0.200 17822 8542 1 13 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.361 -1.727 17822 8543 1 13 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.889 -2.567 17822 8544 1 13 . 1 1 81 81 ARG H H 81 7.520 7.520 7.757 -0.237 17822 8545 1 13 . 1 1 82 82 LEU N N 82 117.238 117.238 119.492 -2.254 17822 8546 1 13 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.288 -0.397 17822 8547 1 13 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.019 -0.582 17822 8548 1 13 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.193 -0.383 17822 8549 1 13 . 1 1 82 82 LEU H H 82 8.189 8.189 8.184 0.005 17822 8550 1 13 . 1 1 83 83 LYS N N 83 114.899 114.899 118.894 -3.995 17822 8551 1 13 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.068 -0.123 17822 8552 1 13 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.820 -1.154 17822 8553 1 13 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.040 -0.053 17822 8554 1 13 . 1 1 83 83 LYS H H 83 7.064 7.064 7.738 -0.674 17822 8555 1 13 . 1 1 84 84 LEU N N 84 117.840 117.840 117.954 -0.114 17822 8556 1 13 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.039 -0.166 17822 8557 1 13 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.100 -0.785 17822 8558 1 13 . 1 1 84 84 LEU CB C 84 40.929 40.929 42.276 -1.347 17822 8559 1 13 . 1 1 84 84 LEU H H 84 7.271 7.271 7.705 -0.434 17822 8560 1 13 . 1 1 85 85 TYR N N 85 119.720 119.720 116.499 3.221 17822 8561 1 13 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.580 -0.325 17822 8562 1 13 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.082 1.985 17822 8563 1 13 . 1 1 85 85 TYR CB C 85 39.068 39.068 35.952 3.116 17822 8564 1 13 . 1 1 85 85 TYR H H 85 7.633 7.633 7.298 0.335 17822 8565 1 13 . 1 1 86 86 ASN N N 86 119.638 119.638 119.550 0.088 17822 8566 1 13 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.333 0.141 17822 8567 1 13 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.794 -1.912 17822 8568 1 13 . 1 1 86 86 ASN CB C 86 38.742 38.742 39.131 -0.389 17822 8569 1 13 . 1 1 86 86 ASN H H 86 8.622 8.622 7.938 0.684 17822 8570 1 13 . 1 1 87 87 LYS N N 87 116.321 116.321 118.399 -2.078 17822 8571 1 13 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.312 0.186 17822 8572 1 13 . 1 1 87 87 LYS CA C 87 54.169 54.169 56.050 -1.881 17822 8573 1 13 . 1 1 87 87 LYS CB C 87 34.673 34.673 33.663 1.010 17822 8574 1 13 . 1 1 87 87 LYS H H 87 7.631 7.631 7.725 -0.094 17822 8575 1 13 . 1 1 88 88 VAL N N 88 125.141 125.141 118.589 6.552 17822 8576 1 13 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.457 -0.835 17822 8577 1 13 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.299 3.667 17822 8578 1 13 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.897 0.391 17822 8579 1 13 . 1 1 88 88 VAL H H 88 8.357 8.357 8.178 0.179 17822 8580 1 13 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.674 -0.421 17822 8581 1 13 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.249 2.091 17822 8582 1 13 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.989 0.565 17822 8583 1 13 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.224 0.276 17822 8584 1 13 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.173 0.806 17822 8585 1 13 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.076 0.112 17822 8586 1 13 . 1 1 91 91 ASN N N 91 112.735 112.735 115.861 -3.126 17822 8587 1 13 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.415 0.240 17822 8588 1 13 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.523 -1.648 17822 8589 1 13 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.077 -0.634 17822 8590 1 13 . 1 1 91 91 ASN H H 91 9.163 9.163 8.437 0.726 17822 8591 1 13 . 1 1 92 92 GLY N N 92 108.893 108.893 106.215 2.678 17822 8592 1 13 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.846 -1.405 17822 8593 1 13 . 1 1 92 92 GLY H H 92 7.898 7.898 7.152 0.746 17822 8594 1 13 . 1 1 93 93 LEU N N 93 117.751 117.751 125.998 -8.247 17822 8595 1 13 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.143 0.181 17822 8596 1 13 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.583 -0.816 17822 8597 1 13 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.141 5.386 17822 8598 1 13 . 1 1 93 93 LEU H H 93 8.508 8.508 7.658 0.850 17822 8599 1 13 . 1 1 94 94 VAL N N 94 126.296 126.296 128.410 -2.114 17822 8600 1 13 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.742 -0.392 17822 8601 1 13 . 1 1 94 94 VAL CA C 94 60.475 60.475 60.833 -0.358 17822 8602 1 13 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.509 -0.341 17822 8603 1 13 . 1 1 94 94 VAL H H 94 8.168 8.168 8.055 0.113 17822 8604 1 13 . 1 1 95 95 VAL N N 95 125.531 125.531 119.221 6.310 17822 8605 1 13 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.965 -0.825 17822 8606 1 13 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.777 0.526 17822 8607 1 13 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.192 1.003 17822 8608 1 13 . 1 1 95 95 VAL H H 95 8.744 8.744 8.337 0.407 17822 8609 1 13 . 1 1 96 96 TYR N N 96 123.577 123.577 124.038 -0.461 17822 8610 1 13 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.628 -0.296 17822 8611 1 13 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.882 0.695 17822 8612 1 13 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.892 -0.272 17822 8613 1 13 . 1 1 96 96 TYR H H 96 8.698 8.698 9.381 -0.683 17822 8614 1 13 . 1 1 97 97 CYS N N 97 120.144 120.144 123.559 -3.415 17822 8615 1 13 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.775 -0.227 17822 8616 1 13 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.367 -0.790 17822 8617 1 13 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.236 1.550 17822 8618 1 13 . 1 1 97 97 CYS H H 97 8.796 8.796 8.288 0.508 17822 8619 1 13 . 1 1 98 98 GLY N N 98 112.534 112.534 114.880 -2.346 17822 8620 1 13 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.435 0.363 17822 8621 1 13 . 1 1 98 98 GLY H H 98 8.776 8.776 8.438 0.338 17822 8622 1 13 . 1 1 99 99 THR N N 99 119.083 119.083 116.257 2.826 17822 8623 1 13 . 1 1 99 99 THR HA H 99 4.821 4.821 5.525 -0.704 17822 8624 1 13 . 1 1 99 99 THR CA C 99 62.294 62.294 61.642 0.652 17822 8625 1 13 . 1 1 99 99 THR CB C 99 69.781 69.781 72.062 -2.281 17822 8626 1 13 . 1 1 99 99 THR H H 99 8.168 8.168 8.314 -0.146 17822 8627 1 13 . 1 1 100 100 ILE N N 100 122.250 122.250 123.028 -0.778 17822 8628 1 13 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.599 -0.022 17822 8629 1 13 . 1 1 100 100 ILE CA C 100 58.583 58.583 59.213 -0.630 17822 8630 1 13 . 1 1 100 100 ILE CB C 100 40.509 40.509 41.163 -0.654 17822 8631 1 13 . 1 1 100 100 ILE H H 100 8.838 8.838 8.622 0.216 17822 8632 1 13 . 1 1 101 101 VAL N N 101 120.622 120.622 124.012 -3.390 17822 8633 1 13 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.844 -0.194 17822 8634 1 13 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.356 1.234 17822 8635 1 13 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.849 -1.960 17822 8636 1 13 . 1 1 101 101 VAL H H 101 8.310 8.310 8.278 0.032 17822 8637 1 13 . 1 1 102 102 THR N N 102 118.661 118.661 120.432 -1.771 17822 8638 1 13 . 1 1 102 102 THR HA H 102 4.658 4.658 4.701 -0.043 17822 8639 1 13 . 1 1 102 102 THR CA C 102 60.590 60.590 60.255 0.335 17822 8640 1 13 . 1 1 102 102 THR CB C 102 71.189 71.189 70.245 0.944 17822 8641 1 13 . 1 1 102 102 THR H H 102 8.867 8.867 8.088 0.779 17822 8642 1 13 . 1 1 103 103 GLU N N 103 121.906 121.906 120.900 1.006 17822 8643 1 13 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.054 -0.136 17822 8644 1 13 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.795 0.132 17822 8645 1 13 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.210 -0.280 17822 8646 1 13 . 1 1 103 103 GLU H H 103 9.243 9.243 8.799 0.444 17822 8647 1 13 . 1 1 104 104 GLU N N 104 116.013 116.013 118.820 -2.807 17822 8648 1 13 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.145 0.029 17822 8649 1 13 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.096 0.137 17822 8650 1 13 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.091 0.376 17822 8651 1 13 . 1 1 104 104 GLU H H 104 7.716 7.716 7.757 -0.041 17822 8652 1 13 . 1 1 105 105 GLY N N 105 109.001 109.001 107.590 1.411 17822 8653 1 13 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.354 -0.649 17822 8654 1 13 . 1 1 105 105 GLY H H 105 8.045 8.045 8.112 -0.067 17822 8655 1 13 . 1 1 106 106 LYS N N 106 119.559 119.559 119.288 0.271 17822 8656 1 13 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.604 -0.273 17822 8657 1 13 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.609 -0.154 17822 8658 1 13 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.375 0.047 17822 8659 1 13 . 1 1 106 106 LYS H H 106 6.924 6.924 7.594 -0.670 17822 8660 1 13 . 1 1 107 107 GLU N N 107 121.771 121.771 124.359 -2.588 17822 8661 1 13 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.343 0.611 17822 8662 1 13 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.425 -0.823 17822 8663 1 13 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.762 0.523 17822 8664 1 13 . 1 1 107 107 GLU H H 107 8.371 8.371 8.721 -0.350 17822 8665 1 13 . 1 1 108 108 LYS N N 108 125.216 125.216 121.620 3.596 17822 8666 1 13 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.450 -0.010 17822 8667 1 13 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.435 -0.349 17822 8668 1 13 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.630 1.285 17822 8669 1 13 . 1 1 108 108 LYS H H 108 8.946 8.946 8.109 0.837 17822 8670 1 13 . 1 1 109 109 LYS N N 109 125.136 125.136 127.977 -2.841 17822 8671 1 13 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.450 0.186 17822 8672 1 13 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.496 -0.723 17822 8673 1 13 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.739 0.061 17822 8674 1 13 . 1 1 109 109 LYS H H 109 8.548 8.548 8.600 -0.052 17822 8675 1 13 . 1 1 110 110 VAL N N 110 125.626 125.626 127.368 -1.742 17822 8676 1 13 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.057 0.019 17822 8677 1 13 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.435 -0.871 17822 8678 1 13 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.554 1.338 17822 8679 1 13 . 1 1 110 110 VAL H H 110 8.850 8.850 9.016 -0.166 17822 8680 1 13 . 1 1 111 111 ASN N N 111 126.837 126.837 126.363 0.474 17822 8681 1 13 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.398 -0.110 17822 8682 1 13 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.185 1.124 17822 8683 1 13 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.104 0.365 17822 8684 1 13 . 1 1 111 111 ASN H H 111 8.711 8.711 8.362 0.349 17822 8685 1 13 . 1 1 112 112 ILE N N 112 125.729 125.729 124.213 1.516 17822 8686 1 13 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.400 -0.016 17822 8687 1 13 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.193 -1.004 17822 8688 1 13 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.431 0.421 17822 8689 1 13 . 1 1 112 112 ILE H H 112 8.931 8.931 8.524 0.407 17822 8690 1 13 . 1 1 113 113 ASP N N 113 122.734 122.734 127.141 -4.407 17822 8691 1 13 . 1 1 113 113 ASP HA H 113 5.790 5.790 6.018 -0.228 17822 8692 1 13 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.572 -1.367 17822 8693 1 13 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.195 -0.674 17822 8694 1 13 . 1 1 113 113 ASP H H 113 8.116 8.116 8.519 -0.403 17822 8695 1 13 . 1 1 114 114 PHE N N 114 116.385 116.385 118.967 -2.582 17822 8696 1 13 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.709 -0.006 17822 8697 1 13 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.556 -0.094 17822 8698 1 13 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.910 -1.203 17822 8699 1 13 . 1 1 114 114 PHE H H 114 8.613 8.613 8.264 0.349 17822 8700 1 13 . 1 1 115 115 GLU N N 115 124.642 124.642 120.222 4.420 17822 8701 1 13 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.359 0.434 17822 8702 1 13 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.336 -1.633 17822 8703 1 13 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.409 1.716 17822 8704 1 13 . 1 1 115 115 GLU H H 115 8.591 8.591 8.318 0.273 17822 8705 1 13 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.334 0.249 17822 8706 1 13 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.281 0.070 17822 8707 1 13 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.312 -1.349 17822 8708 1 13 . 1 1 117 117 PHE N N 117 116.676 116.676 114.694 1.982 17822 8709 1 13 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.535 -0.341 17822 8710 1 13 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.088 0.551 17822 8711 1 13 . 1 1 117 117 PHE CB C 117 38.752 38.752 39.958 -1.206 17822 8712 1 13 . 1 1 117 117 PHE H H 117 7.842 7.842 8.152 -0.310 17822 8713 1 13 . 1 1 118 118 LYS N N 118 118.589 118.589 119.779 -1.190 17822 8714 1 13 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.272 -0.089 17822 8715 1 13 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.508 -0.174 17822 8716 1 13 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.238 1.955 17822 8717 1 13 . 1 1 118 118 LYS H H 118 6.889 6.889 6.994 -0.105 17822 8718 1 13 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.511 0.012 17822 8719 1 13 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.184 0.432 17822 8720 1 13 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.467 -0.295 17822 8721 1 13 . 1 1 120 120 ILE N N 120 121.968 121.968 120.804 1.164 17822 8722 1 13 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.210 -0.304 17822 8723 1 13 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.733 1.685 17822 8724 1 13 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.796 0.009 17822 8725 1 13 . 1 1 120 120 ILE H H 120 7.440 7.440 7.742 -0.302 17822 8726 1 13 . 1 1 121 121 ASN N N 121 120.951 120.951 125.005 -4.054 17822 8727 1 13 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.447 0.185 17822 8728 1 13 . 1 1 121 121 ASN CA C 121 53.882 53.882 54.745 -0.863 17822 8729 1 13 . 1 1 121 121 ASN CB C 121 39.298 39.298 39.175 0.123 17822 8730 1 13 . 1 1 121 121 ASN H H 121 8.112 8.112 8.616 -0.504 17822 8731 1 13 . 1 1 122 122 GLN N N 122 118.826 118.826 114.945 3.881 17822 8732 1 13 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.391 0.021 17822 8733 1 13 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.779 -0.381 17822 8734 1 13 . 1 1 122 122 GLN CB C 122 31.486 31.486 29.384 2.102 17822 8735 1 13 . 1 1 122 122 GLN H H 122 7.009 7.009 7.459 -0.450 17822 8736 1 13 . 1 1 123 123 PHE N N 123 122.795 122.795 118.728 4.067 17822 8737 1 13 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.497 0.217 17822 8738 1 13 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.186 -0.979 17822 8739 1 13 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.875 0.843 17822 8740 1 13 . 1 1 123 123 PHE H H 123 8.335 8.335 8.751 -0.416 17822 8741 1 13 . 1 1 124 124 MET N N 124 126.990 126.990 126.561 0.429 17822 8742 1 13 . 1 1 124 124 MET HA H 124 3.984 3.984 4.517 -0.533 17822 8743 1 13 . 1 1 124 124 MET CA C 124 54.799 54.799 54.319 0.480 17822 8744 1 13 . 1 1 124 124 MET CB C 124 37.330 37.330 36.423 0.907 17822 8745 1 13 . 1 1 124 124 MET H H 124 7.992 7.992 8.543 -0.551 17822 8746 1 13 . 1 1 125 125 TYR N N 125 122.216 122.216 124.866 -2.650 17822 8747 1 13 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.460 0.444 17822 8748 1 13 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.211 -0.462 17822 8749 1 13 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.312 0.841 17822 8750 1 13 . 1 1 125 125 TYR H H 125 7.552 7.552 8.133 -0.581 17822 8751 1 13 . 1 1 126 126 PHE N N 126 124.584 124.584 118.134 6.450 17822 8752 1 13 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.688 -0.613 17822 8753 1 13 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.459 0.946 17822 8754 1 13 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.664 3.755 17822 8755 1 13 . 1 1 126 126 PHE H H 126 8.271 8.271 6.451 1.820 17822 8756 1 13 . 1 1 127 127 CYS N N 127 124.011 124.011 120.599 3.412 17822 8757 1 13 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.537 0.259 17822 8758 1 13 . 1 1 127 127 CYS CA C 127 57.840 57.840 58.241 -0.401 17822 8759 1 13 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.316 -4.385 17822 8760 1 13 . 1 1 127 127 CYS H H 127 8.442 8.442 8.780 -0.338 17822 8761 1 13 . 1 1 128 128 ASP N N 128 127.486 127.486 122.235 5.251 17822 8762 1 13 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.611 0.395 17822 8763 1 13 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.320 -1.814 17822 8764 1 13 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.831 2.565 17822 8765 1 13 . 1 1 128 128 ASP H H 128 8.907 8.907 8.462 0.445 17822 8766 1 13 . 1 1 129 129 ASN N N 129 119.092 119.092 114.383 4.709 17822 8767 1 13 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.251 0.413 17822 8768 1 13 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.150 -1.415 17822 8769 1 13 . 1 1 129 129 ASN CB C 129 37.902 37.902 36.733 1.169 17822 8770 1 13 . 1 1 129 129 ASN H H 129 9.136 9.136 8.773 0.363 17822 8771 1 13 . 1 1 130 130 LYS N N 130 114.367 114.367 113.381 0.986 17822 8772 1 13 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.400 -0.237 17822 8773 1 13 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.730 -1.504 17822 8774 1 13 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.667 -0.575 17822 8775 1 13 . 1 1 130 130 LYS H H 130 7.115 7.115 6.994 0.121 17822 8776 1 13 . 1 1 131 131 PHE N N 131 121.117 121.117 119.426 1.691 17822 8777 1 13 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.616 -0.101 17822 8778 1 13 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.648 -1.498 17822 8779 1 13 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.420 -1.331 17822 8780 1 13 . 1 1 131 131 PHE H H 131 9.291 9.291 8.688 0.603 17822 8781 1 13 . 1 1 132 132 HIS N N 132 121.897 121.897 124.219 -2.322 17822 8782 1 13 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.888 -0.505 17822 8783 1 13 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.329 0.674 17822 8784 1 13 . 1 1 132 132 HIS CB C 132 28.343 28.343 31.067 -2.724 17822 8785 1 13 . 1 1 132 132 HIS H H 132 9.026 9.026 8.468 0.558 17822 8786 1 13 . 1 1 133 133 THR N N 133 117.915 117.915 117.843 0.072 17822 8787 1 13 . 1 1 133 133 THR HA H 133 4.612 4.612 4.727 -0.115 17822 8788 1 13 . 1 1 133 133 THR CA C 133 61.679 61.679 61.892 -0.213 17822 8789 1 13 . 1 1 133 133 THR CB C 133 73.856 73.856 70.359 3.497 17822 8790 1 13 . 1 1 133 133 THR H H 133 8.700 8.700 8.494 0.206 17822 8791 1 13 . 1 1 134 134 GLU N N 134 129.072 129.072 127.778 1.294 17822 8792 1 13 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.189 -0.210 17822 8793 1 13 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.097 1.436 17822 8794 1 13 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.936 -2.433 17822 8795 1 13 . 1 1 134 134 GLU H H 134 10.805 10.805 8.751 2.054 17822 8796 1 13 . 1 1 135 135 ALA N N 135 122.099 122.099 122.379 -0.280 17822 8797 1 13 . 1 1 135 135 ALA HA H 135 4.071 4.071 3.945 0.126 17822 8798 1 13 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.421 -0.908 17822 8799 1 13 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.963 0.798 17822 8800 1 13 . 1 1 135 135 ALA H H 135 8.590 8.590 8.678 -0.088 17822 8801 1 13 . 1 1 136 136 LEU N N 136 116.720 116.720 118.016 -1.296 17822 8802 1 13 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.971 0.083 17822 8803 1 13 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.949 -1.372 17822 8804 1 13 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.513 -0.202 17822 8805 1 13 . 1 1 136 136 LEU H H 136 7.471 7.471 7.815 -0.344 17822 8806 1 13 . 1 1 137 137 THR N N 137 117.177 117.177 112.174 5.003 17822 8807 1 13 . 1 1 137 137 THR HA H 137 4.005 4.005 3.960 0.045 17822 8808 1 13 . 1 1 137 137 THR CA C 137 66.610 66.610 65.010 1.600 17822 8809 1 13 . 1 1 137 137 THR CB C 137 67.980 67.980 68.753 -0.773 17822 8810 1 13 . 1 1 137 137 THR H H 137 8.044 8.044 7.551 0.493 17822 8811 1 13 . 1 1 138 138 ALA N N 138 124.719 124.719 123.602 1.117 17822 8812 1 13 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.203 -0.202 17822 8813 1 13 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.867 0.047 17822 8814 1 13 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.221 -0.724 17822 8815 1 13 . 1 1 138 138 ALA H H 138 7.695 7.695 8.021 -0.326 17822 8816 1 13 . 1 1 139 139 LEU N N 139 120.059 120.059 120.785 -0.726 17822 8817 1 13 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.030 -0.031 17822 8818 1 13 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.977 -0.484 17822 8819 1 13 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.756 1.056 17822 8820 1 13 . 1 1 139 139 LEU H H 139 7.345 7.345 8.339 -0.994 17822 8821 1 13 . 1 1 140 140 LEU N N 140 117.771 117.771 117.895 -0.124 17822 8822 1 13 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.910 0.047 17822 8823 1 13 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.397 -1.419 17822 8824 1 13 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.408 -0.169 17822 8825 1 13 . 1 1 140 140 LEU H H 140 7.748 7.748 7.887 -0.139 17822 8826 1 13 . 1 1 141 141 SER N N 141 114.778 114.778 113.630 1.148 17822 8827 1 13 . 1 1 141 141 SER HA H 141 4.107 4.107 4.216 -0.109 17822 8828 1 13 . 1 1 141 141 SER CA C 141 60.647 60.647 61.058 -0.411 17822 8829 1 13 . 1 1 141 141 SER CB C 141 62.650 62.650 63.033 -0.383 17822 8830 1 13 . 1 1 141 141 SER H H 141 7.807 7.807 7.785 0.022 17822 8831 1 13 . 1 1 142 142 ASP N N 142 121.827 121.827 122.148 -0.321 17822 8832 1 13 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.470 -0.112 17822 8833 1 13 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.686 -0.625 17822 8834 1 13 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.007 -0.398 17822 8835 1 13 . 1 1 142 142 ASP H H 142 7.878 7.878 8.101 -0.223 17822 8836 1 13 . 1 1 143 143 LEU N N 143 120.220 120.220 120.043 0.177 17822 8837 1 13 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.092 -0.120 17822 8838 1 13 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.885 -0.423 17822 8839 1 13 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.432 -0.218 17822 8840 1 13 . 1 1 143 143 LEU H H 143 7.846 7.846 8.202 -0.356 17822 8841 1 14 . 1 1 2 2 ALA N N 2 125.964 125.964 127.413 -1.449 17822 8842 1 14 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.748 -0.136 17822 8843 1 14 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.483 0.809 17822 8844 1 14 . 1 1 2 2 ALA H H 2 8.065 8.065 8.763 -0.698 17822 8845 1 14 . 1 1 3 3 ASP N N 3 119.188 119.188 117.538 1.650 17822 8846 1 14 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.645 -0.035 17822 8847 1 14 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.729 0.153 17822 8848 1 14 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.328 -0.517 17822 8849 1 14 . 1 1 3 3 ASP H H 3 8.203 8.203 8.378 -0.175 17822 8850 1 14 . 1 1 4 4 ASP N N 4 121.607 121.607 122.012 -0.405 17822 8851 1 14 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.631 -0.259 17822 8852 1 14 . 1 1 4 4 ASP CA C 4 51.761 51.761 53.586 -1.825 17822 8853 1 14 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.681 -0.771 17822 8854 1 14 . 1 1 4 4 ASP H H 4 7.954 7.954 8.081 -0.127 17822 8855 1 14 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.374 -0.122 17822 8856 1 14 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.926 -1.558 17822 8857 1 14 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.092 -0.233 17822 8858 1 14 . 1 1 6 6 SER N N 6 115.864 115.864 114.343 1.521 17822 8859 1 14 . 1 1 6 6 SER HA H 6 4.252 4.252 4.225 0.027 17822 8860 1 14 . 1 1 6 6 SER CA C 6 58.870 58.870 60.327 -1.457 17822 8861 1 14 . 1 1 6 6 SER CB C 6 63.368 63.368 62.770 0.598 17822 8862 1 14 . 1 1 6 6 SER H H 6 8.310 8.310 8.253 0.057 17822 8863 1 14 . 1 1 7 7 ALA N N 7 125.955 125.955 123.407 2.548 17822 8864 1 14 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.117 -0.118 17822 8865 1 14 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.055 -0.746 17822 8866 1 14 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.058 0.493 17822 8867 1 14 . 1 1 7 7 ALA H H 7 7.854 7.854 8.393 -0.539 17822 8868 1 14 . 1 1 8 8 ALA N N 8 122.354 122.354 121.219 1.135 17822 8869 1 14 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.986 -0.189 17822 8870 1 14 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.818 -1.223 17822 8871 1 14 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.334 0.118 17822 8872 1 14 . 1 1 8 8 ALA H H 8 7.910 7.910 7.678 0.232 17822 8873 1 14 . 1 1 9 9 ASP N N 9 119.431 119.431 118.013 1.418 17822 8874 1 14 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.374 -0.055 17822 8875 1 14 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.219 -2.076 17822 8876 1 14 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.292 0.331 17822 8877 1 14 . 1 1 9 9 ASP H H 9 7.970 7.970 7.971 -0.001 17822 8878 1 14 . 1 1 10 10 ARG N N 10 122.263 122.263 120.912 1.351 17822 8879 1 14 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.227 -0.391 17822 8880 1 14 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.137 -1.356 17822 8881 1 14 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.266 -0.385 17822 8882 1 14 . 1 1 10 10 ARG H H 10 8.036 8.036 7.897 0.139 17822 8883 1 14 . 1 1 11 11 ASN N N 11 118.325 118.325 117.013 1.312 17822 8884 1 14 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.472 -0.169 17822 8885 1 14 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.856 -0.713 17822 8886 1 14 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.358 -0.556 17822 8887 1 14 . 1 1 11 11 ASN H H 11 8.077 8.077 7.702 0.375 17822 8888 1 14 . 1 1 12 12 VAL N N 12 122.103 122.103 121.422 0.681 17822 8889 1 14 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.668 0.947 17822 8890 1 14 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.023 -0.402 17822 8891 1 14 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.048 0.438 17822 8892 1 14 . 1 1 12 12 VAL H H 12 7.741 7.741 7.748 -0.007 17822 8893 1 14 . 1 1 13 13 GLU N N 13 120.785 120.785 119.473 1.312 17822 8894 1 14 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.831 -0.597 17822 8895 1 14 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.383 5.678 17822 8896 1 14 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.906 0.862 17822 8897 1 14 . 1 1 13 13 GLU H H 13 7.751 7.751 8.042 -0.291 17822 8898 1 14 . 1 1 14 14 ILE N N 14 120.199 120.199 120.050 0.149 17822 8899 1 14 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.591 0.197 17822 8900 1 14 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.613 -5.431 17822 8901 1 14 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.349 -1.355 17822 8902 1 14 . 1 1 14 14 ILE H H 14 7.650 7.650 7.165 0.485 17822 8903 1 14 . 1 1 15 15 TRP N N 15 120.828 120.828 117.527 3.301 17822 8904 1 14 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.642 -0.589 17822 8905 1 14 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.512 3.078 17822 8906 1 14 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.753 -0.309 17822 8907 1 14 . 1 1 15 15 TRP H H 15 7.759 7.759 7.165 0.594 17822 8908 1 14 . 1 1 16 16 LYS N N 16 119.063 119.063 122.209 -3.146 17822 8909 1 14 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.174 -0.684 17822 8910 1 14 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.063 1.906 17822 8911 1 14 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.933 0.245 17822 8912 1 14 . 1 1 16 16 LYS H H 16 7.963 7.963 7.764 0.199 17822 8913 1 14 . 1 1 17 17 ILE N N 17 120.609 120.609 119.542 1.067 17822 8914 1 14 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.888 -0.277 17822 8915 1 14 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.031 -0.575 17822 8916 1 14 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.589 -1.291 17822 8917 1 14 . 1 1 17 17 ILE H H 17 7.630 7.630 8.491 -0.861 17822 8918 1 14 . 1 1 18 18 LYS N N 18 121.687 121.687 119.261 2.426 17822 8919 1 14 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.036 -0.453 17822 8920 1 14 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.442 1.488 17822 8921 1 14 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.536 0.546 17822 8922 1 14 . 1 1 18 18 LYS H H 18 8.297 8.297 7.814 0.483 17822 8923 1 14 . 1 1 19 19 LYS N N 19 119.253 119.253 118.236 1.017 17822 8924 1 14 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.164 -0.547 17822 8925 1 14 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.500 0.485 17822 8926 1 14 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.345 -0.486 17822 8927 1 14 . 1 1 19 19 LYS H H 19 7.685 7.685 7.657 0.028 17822 8928 1 14 . 1 1 20 20 LEU N N 20 123.001 123.001 121.974 1.027 17822 8929 1 14 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.029 -0.204 17822 8930 1 14 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.710 0.071 17822 8931 1 14 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.716 -0.305 17822 8932 1 14 . 1 1 20 20 LEU H H 20 7.509 7.509 7.279 0.230 17822 8933 1 14 . 1 1 21 21 ILE N N 21 119.392 119.392 119.065 0.327 17822 8934 1 14 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.732 -0.662 17822 8935 1 14 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.290 3.205 17822 8936 1 14 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.076 1.127 17822 8937 1 14 . 1 1 21 21 ILE H H 21 8.474 8.474 8.175 0.299 17822 8938 1 14 . 1 1 22 22 LYS N N 22 117.524 117.524 119.185 -1.661 17822 8939 1 14 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.072 -0.266 17822 8940 1 14 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.063 -0.251 17822 8941 1 14 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.258 -0.371 17822 8942 1 14 . 1 1 22 22 LYS H H 22 7.300 7.300 7.598 -0.298 17822 8943 1 14 . 1 1 23 23 SER N N 23 114.880 114.880 115.052 -0.172 17822 8944 1 14 . 1 1 23 23 SER HA H 23 4.008 4.008 4.286 -0.278 17822 8945 1 14 . 1 1 23 23 SER CA C 23 61.106 61.106 60.583 0.523 17822 8946 1 14 . 1 1 23 23 SER CB C 23 62.587 62.587 63.494 -0.907 17822 8947 1 14 . 1 1 23 23 SER H H 23 7.653 7.653 7.528 0.125 17822 8948 1 14 . 1 1 24 24 LEU N N 24 121.607 121.607 123.820 -2.213 17822 8949 1 14 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.413 0.459 17822 8950 1 14 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.637 -0.774 17822 8951 1 14 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.371 -0.082 17822 8952 1 14 . 1 1 24 24 LEU H H 24 8.158 8.158 7.984 0.174 17822 8953 1 14 . 1 1 25 25 GLU N N 25 119.392 119.392 117.365 2.027 17822 8954 1 14 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.200 -0.319 17822 8955 1 14 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.634 -0.051 17822 8956 1 14 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.608 -0.427 17822 8957 1 14 . 1 1 25 25 GLU H H 25 8.344 8.344 7.809 0.535 17822 8958 1 14 . 1 1 26 26 ALA N N 26 119.228 119.228 120.459 -1.231 17822 8959 1 14 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.424 -0.307 17822 8960 1 14 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.347 0.643 17822 8961 1 14 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.443 -0.490 17822 8962 1 14 . 1 1 26 26 ALA H H 26 7.154 7.154 7.479 -0.325 17822 8963 1 14 . 1 1 27 27 ALA N N 27 121.417 121.417 123.543 -2.126 17822 8964 1 14 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.567 -0.497 17822 8965 1 14 . 1 1 27 27 ALA CA C 27 52.468 52.468 51.900 0.568 17822 8966 1 14 . 1 1 27 27 ALA CB C 27 19.303 19.303 20.410 -1.107 17822 8967 1 14 . 1 1 27 27 ALA H H 27 6.833 6.833 7.602 -0.769 17822 8968 1 14 . 1 1 28 28 ARG N N 28 123.986 123.986 124.948 -0.962 17822 8969 1 14 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.688 -0.192 17822 8970 1 14 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.221 -1.052 17822 8971 1 14 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.649 0.312 17822 8972 1 14 . 1 1 28 28 ARG H H 28 8.679 8.679 8.284 0.395 17822 8973 1 14 . 1 1 29 29 GLY N N 29 109.466 109.466 108.505 0.961 17822 8974 1 14 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.495 -0.106 17822 8975 1 14 . 1 1 29 29 GLY H H 29 8.091 8.091 8.189 -0.098 17822 8976 1 14 . 1 1 30 30 ASN N N 30 120.048 120.048 115.742 4.306 17822 8977 1 14 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.635 0.020 17822 8978 1 14 . 1 1 30 30 ASN CA C 30 51.629 51.629 52.992 -1.363 17822 8979 1 14 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.103 -1.302 17822 8980 1 14 . 1 1 30 30 ASN H H 30 8.419 8.419 8.439 -0.020 17822 8981 1 14 . 1 1 31 31 GLY N N 31 110.450 110.450 105.847 4.603 17822 8982 1 14 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.458 -0.772 17822 8983 1 14 . 1 1 31 31 GLY H H 31 8.071 8.071 8.601 -0.530 17822 8984 1 14 . 1 1 32 32 THR N N 32 112.929 112.929 115.913 -2.984 17822 8985 1 14 . 1 1 32 32 THR HA H 32 4.993 4.993 4.541 0.452 17822 8986 1 14 . 1 1 32 32 THR CA C 32 59.598 59.598 60.347 -0.749 17822 8987 1 14 . 1 1 32 32 THR H H 32 7.747 7.747 7.759 -0.012 17822 8988 1 14 . 1 1 33 33 SER N N 33 115.208 115.208 115.566 -0.358 17822 8989 1 14 . 1 1 33 33 SER HA H 33 4.335 4.335 4.700 -0.365 17822 8990 1 14 . 1 1 33 33 SER CA C 33 58.067 58.067 58.193 -0.126 17822 8991 1 14 . 1 1 33 33 SER CB C 33 64.572 64.572 65.540 -0.968 17822 8992 1 14 . 1 1 33 33 SER H H 33 7.701 7.701 8.524 -0.824 17822 8993 1 14 . 1 1 34 34 MET N N 34 120.869 120.869 122.709 -1.840 17822 8994 1 14 . 1 1 34 34 MET HA H 34 4.666 4.666 4.688 -0.022 17822 8995 1 14 . 1 1 34 34 MET CA C 34 54.799 54.799 54.643 0.156 17822 8996 1 14 . 1 1 34 34 MET CB C 34 34.700 34.700 34.140 0.560 17822 8997 1 14 . 1 1 34 34 MET H H 34 8.679 8.679 8.433 0.246 17822 8998 1 14 . 1 1 35 35 ILE N N 35 126.806 126.806 120.587 6.219 17822 8999 1 14 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.213 1.957 17822 9000 1 14 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.772 0.130 17822 9001 1 14 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.150 -1.477 17822 9002 1 14 . 1 1 35 35 ILE H H 35 9.562 9.562 8.234 1.328 17822 9003 1 14 . 1 1 36 36 SER N N 36 122.217 122.217 123.178 -0.961 17822 9004 1 14 . 1 1 36 36 SER HA H 36 4.968 4.968 5.111 -0.143 17822 9005 1 14 . 1 1 36 36 SER CA C 36 56.602 56.602 56.927 -0.325 17822 9006 1 14 . 1 1 36 36 SER CB C 36 64.572 64.572 64.466 0.106 17822 9007 1 14 . 1 1 36 36 SER H H 36 8.422 8.422 8.055 0.367 17822 9008 1 14 . 1 1 37 37 LEU N N 37 128.938 128.938 123.891 5.047 17822 9009 1 14 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.920 0.061 17822 9010 1 14 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.737 0.744 17822 9011 1 14 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.484 -0.108 17822 9012 1 14 . 1 1 37 37 LEU H H 37 8.916 8.916 7.630 1.286 17822 9013 1 14 . 1 1 38 38 ILE N N 38 128.296 128.296 114.928 13.368 17822 9014 1 14 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.998 -0.026 17822 9015 1 14 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.673 0.172 17822 9016 1 14 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.216 -2.211 17822 9017 1 14 . 1 1 38 38 ILE H H 38 8.740 8.740 8.479 0.261 17822 9018 1 14 . 1 1 39 39 ILE N N 39 125.429 125.429 123.547 1.882 17822 9019 1 14 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.635 -0.236 17822 9020 1 14 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.488 -0.765 17822 9021 1 14 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.414 2.247 17822 9022 1 14 . 1 1 39 39 ILE H H 39 8.960 8.960 8.146 0.814 17822 9023 1 14 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.794 -0.387 17822 9024 1 14 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.569 5.613 17822 9025 1 14 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.085 0.287 17822 9026 1 14 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.397 -0.576 17822 9027 1 14 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.451 3.364 17822 9028 1 14 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.863 0.314 17822 9029 1 14 . 1 1 42 42 LYS N N 42 113.683 113.683 116.490 -2.807 17822 9030 1 14 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.431 -0.475 17822 9031 1 14 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.957 0.849 17822 9032 1 14 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.052 -1.870 17822 9033 1 14 . 1 1 42 42 LYS H H 42 8.004 8.004 8.239 -0.235 17822 9034 1 14 . 1 1 43 43 ASP N N 43 121.628 121.628 118.407 3.221 17822 9035 1 14 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.824 -0.389 17822 9036 1 14 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.004 -0.498 17822 9037 1 14 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.643 -1.428 17822 9038 1 14 . 1 1 43 43 ASP H H 43 7.290 7.290 7.488 -0.198 17822 9039 1 14 . 1 1 44 44 GLN N N 44 117.587 117.587 118.144 -0.557 17822 9040 1 14 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.606 -0.070 17822 9041 1 14 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.596 -0.657 17822 9042 1 14 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.045 0.499 17822 9043 1 14 . 1 1 44 44 GLN H H 44 9.610 9.610 8.392 1.218 17822 9044 1 14 . 1 1 45 45 ILE N N 45 126.939 126.939 124.795 2.144 17822 9045 1 14 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.690 -0.389 17822 9046 1 14 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.188 -0.904 17822 9047 1 14 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.530 -1.897 17822 9048 1 14 . 1 1 45 45 ILE H H 45 8.806 8.806 9.094 -0.288 17822 9049 1 14 . 1 1 46 46 SER N N 46 113.239 113.239 114.700 -1.461 17822 9050 1 14 . 1 1 46 46 SER HA H 46 3.931 3.931 4.195 -0.264 17822 9051 1 14 . 1 1 46 46 SER CA C 46 60.762 60.762 61.327 -0.565 17822 9052 1 14 . 1 1 46 46 SER CB C 46 61.464 61.464 62.952 -1.488 17822 9053 1 14 . 1 1 46 46 SER H H 46 8.476 8.476 8.358 0.118 17822 9054 1 14 . 1 1 47 47 ARG N N 47 124.530 124.530 122.454 2.076 17822 9055 1 14 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.026 -0.235 17822 9056 1 14 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.885 0.042 17822 9057 1 14 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.612 0.971 17822 9058 1 14 . 1 1 47 47 ARG H H 47 6.731 6.731 7.625 -0.894 17822 9059 1 14 . 1 1 48 48 VAL N N 48 121.935 121.935 119.115 2.820 17822 9060 1 14 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.694 -0.547 17822 9061 1 14 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.814 -0.606 17822 9062 1 14 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.275 0.193 17822 9063 1 14 . 1 1 48 48 VAL H H 48 7.257 7.257 7.672 -0.415 17822 9064 1 14 . 1 1 49 49 ALA N N 49 122.345 122.345 119.921 2.424 17822 9065 1 14 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.017 -0.135 17822 9066 1 14 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.869 0.274 17822 9067 1 14 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.239 -0.589 17822 9068 1 14 . 1 1 49 49 ALA H H 49 8.864 8.864 7.753 1.111 17822 9069 1 14 . 1 1 50 50 LYS N N 50 120.376 120.376 119.766 0.610 17822 9070 1 14 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.138 -0.235 17822 9071 1 14 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.677 0.250 17822 9072 1 14 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.376 -0.790 17822 9073 1 14 . 1 1 50 50 LYS H H 50 7.380 7.380 7.779 -0.399 17822 9074 1 14 . 1 1 51 51 MET N N 51 121.641 121.641 118.021 3.620 17822 9075 1 14 . 1 1 51 51 MET HA H 51 3.935 3.935 4.157 -0.222 17822 9076 1 14 . 1 1 51 51 MET CA C 51 58.927 58.927 58.699 0.228 17822 9077 1 14 . 1 1 51 51 MET CB C 51 30.734 30.734 32.090 -1.356 17822 9078 1 14 . 1 1 51 51 MET H H 51 7.508 7.508 8.072 -0.564 17822 9079 1 14 . 1 1 52 52 LEU N N 52 120.125 120.125 119.841 0.284 17822 9080 1 14 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.279 -0.622 17822 9081 1 14 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.941 0.496 17822 9082 1 14 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.707 -0.153 17822 9083 1 14 . 1 1 52 52 LEU H H 52 8.203 8.203 7.848 0.355 17822 9084 1 14 . 1 1 53 53 ALA N N 53 123.639 123.639 122.443 1.196 17822 9085 1 14 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.868 0.077 17822 9086 1 14 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.431 -0.631 17822 9087 1 14 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.655 -0.406 17822 9088 1 14 . 1 1 53 53 ALA H H 53 7.775 7.775 7.512 0.263 17822 9089 1 14 . 1 1 54 54 ASP N N 54 123.165 123.165 118.229 4.936 17822 9090 1 14 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.431 -0.102 17822 9091 1 14 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.310 -0.103 17822 9092 1 14 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.892 -1.787 17822 9093 1 14 . 1 1 54 54 ASP H H 54 8.156 8.156 7.688 0.468 17822 9094 1 14 . 1 1 55 55 GLU N N 55 122.017 122.017 119.101 2.916 17822 9095 1 14 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.070 -0.194 17822 9096 1 14 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.947 -0.364 17822 9097 1 14 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.254 -0.235 17822 9098 1 14 . 1 1 55 55 GLU H H 55 8.221 8.221 7.644 0.577 17822 9099 1 14 . 1 1 56 56 PHE N N 56 123.334 123.334 121.765 1.569 17822 9100 1 14 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.232 0.449 17822 9101 1 14 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.451 0.064 17822 9102 1 14 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.869 0.343 17822 9103 1 14 . 1 1 56 56 PHE H H 56 8.711 8.711 8.281 0.430 17822 9104 1 14 . 1 1 57 57 GLY N N 57 107.156 107.156 105.334 1.822 17822 9105 1 14 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.425 0.059 17822 9106 1 14 . 1 1 57 57 GLY H H 57 7.985 7.985 8.086 -0.101 17822 9107 1 14 . 1 1 58 58 THR N N 58 118.940 118.940 117.337 1.603 17822 9108 1 14 . 1 1 58 58 THR HA H 58 4.062 4.062 4.097 -0.035 17822 9109 1 14 . 1 1 58 58 THR CA C 58 65.406 65.406 66.349 -0.943 17822 9110 1 14 . 1 1 58 58 THR CB C 58 68.408 68.408 69.031 -0.623 17822 9111 1 14 . 1 1 58 58 THR H H 58 7.992 7.992 7.591 0.401 17822 9112 1 14 . 1 1 59 59 ALA N N 59 126.365 126.365 123.800 2.565 17822 9113 1 14 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.042 -0.114 17822 9114 1 14 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.321 -0.382 17822 9115 1 14 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.925 0.226 17822 9116 1 14 . 1 1 59 59 ALA H H 59 8.351 8.351 7.799 0.552 17822 9117 1 14 . 1 1 60 60 SER N N 60 112.435 112.435 113.271 -0.836 17822 9118 1 14 . 1 1 60 60 SER HA H 60 4.632 4.632 4.133 0.499 17822 9119 1 14 . 1 1 60 60 SER CA C 60 61.220 61.220 60.206 1.014 17822 9120 1 14 . 1 1 60 60 SER CB C 60 62.686 62.686 62.923 -0.237 17822 9121 1 14 . 1 1 60 60 SER H H 60 7.459 7.459 7.736 -0.277 17822 9122 1 14 . 1 1 61 61 ASN N N 61 116.971 116.971 119.038 -2.067 17822 9123 1 14 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.628 -0.115 17822 9124 1 14 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.475 -0.453 17822 9125 1 14 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.805 0.200 17822 9126 1 14 . 1 1 61 61 ASN H H 61 7.372 7.372 7.779 -0.407 17822 9127 1 14 . 1 1 62 62 ILE N N 62 123.980 123.980 122.395 1.585 17822 9128 1 14 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.831 -0.195 17822 9129 1 14 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.194 1.234 17822 9130 1 14 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.012 -0.582 17822 9131 1 14 . 1 1 62 62 ILE H H 62 7.461 7.461 7.377 0.084 17822 9132 1 14 . 1 1 63 63 LYS N N 63 128.982 128.982 126.051 2.931 17822 9133 1 14 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.097 -0.300 17822 9134 1 14 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.127 0.571 17822 9135 1 14 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.567 0.139 17822 9136 1 14 . 1 1 63 63 LYS H H 63 8.417 8.417 8.320 0.097 17822 9137 1 14 . 1 1 64 64 SER N N 64 114.306 114.306 117.998 -3.692 17822 9138 1 14 . 1 1 64 64 SER HA H 64 4.616 4.616 4.549 0.067 17822 9139 1 14 . 1 1 64 64 SER CA C 64 56.749 56.749 57.668 -0.919 17822 9140 1 14 . 1 1 64 64 SER CB C 64 62.962 62.962 63.358 -0.396 17822 9141 1 14 . 1 1 64 64 SER H H 64 7.599 7.599 8.058 -0.459 17822 9142 1 14 . 1 1 65 65 ARG N N 65 132.125 132.125 128.178 3.947 17822 9143 1 14 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.896 0.410 17822 9144 1 14 . 1 1 65 65 ARG CA C 65 59.902 59.902 60.005 -0.103 17822 9145 1 14 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.862 3.236 17822 9146 1 14 . 1 1 65 65 ARG H H 65 8.689 8.689 8.826 -0.137 17822 9147 1 14 . 1 1 66 66 VAL N N 66 116.947 116.947 118.979 -2.032 17822 9148 1 14 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.556 -0.005 17822 9149 1 14 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.885 -1.422 17822 9150 1 14 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.247 0.339 17822 9151 1 14 . 1 1 66 66 VAL H H 66 7.946 7.946 8.226 -0.280 17822 9152 1 14 . 1 1 67 67 ASN N N 67 119.499 119.499 116.951 2.548 17822 9153 1 14 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.343 0.069 17822 9154 1 14 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.081 -0.708 17822 9155 1 14 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.233 -0.197 17822 9156 1 14 . 1 1 67 67 ASN H H 67 7.386 7.386 7.711 -0.325 17822 9157 1 14 . 1 1 68 68 ARG N N 68 122.132 122.132 121.597 0.535 17822 9158 1 14 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.904 -0.310 17822 9159 1 14 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.369 0.429 17822 9160 1 14 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.045 0.514 17822 9161 1 14 . 1 1 68 68 ARG H H 68 8.566 8.566 7.610 0.956 17822 9162 1 14 . 1 1 69 69 LEU N N 69 116.564 116.564 119.520 -2.956 17822 9163 1 14 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.075 -0.292 17822 9164 1 14 . 1 1 69 69 LEU CA C 69 57.895 57.895 58.076 -0.181 17822 9165 1 14 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.595 0.014 17822 9166 1 14 . 1 1 69 69 LEU H H 69 8.167 8.167 8.635 -0.468 17822 9167 1 14 . 1 1 70 70 SER N N 70 116.805 116.805 112.765 4.040 17822 9168 1 14 . 1 1 70 70 SER HA H 70 4.132 4.132 4.228 -0.096 17822 9169 1 14 . 1 1 70 70 SER CA C 70 61.450 61.450 61.440 0.010 17822 9170 1 14 . 1 1 70 70 SER CB C 70 62.635 62.635 62.733 -0.098 17822 9171 1 14 . 1 1 70 70 SER H H 70 7.589 7.589 7.560 0.029 17822 9172 1 14 . 1 1 71 71 VAL N N 71 124.991 124.991 120.886 4.105 17822 9173 1 14 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.903 -0.420 17822 9174 1 14 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.460 1.379 17822 9175 1 14 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.497 0.152 17822 9176 1 14 . 1 1 71 71 VAL H H 71 7.934 7.934 8.176 -0.242 17822 9177 1 14 . 1 1 72 72 LEU N N 72 118.680 118.680 120.015 -1.335 17822 9178 1 14 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.039 -0.318 17822 9179 1 14 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.065 0.174 17822 9180 1 14 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.453 -0.155 17822 9181 1 14 . 1 1 72 72 LEU H H 72 8.354 8.354 8.796 -0.442 17822 9182 1 14 . 1 1 73 73 GLY N N 73 106.674 106.674 106.096 0.578 17822 9183 1 14 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.924 0.021 17822 9184 1 14 . 1 1 73 73 GLY H H 73 8.052 8.052 8.381 -0.329 17822 9185 1 14 . 1 1 74 74 ALA N N 74 127.313 127.313 124.318 2.995 17822 9186 1 14 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.032 0.121 17822 9187 1 14 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.607 0.766 17822 9188 1 14 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.757 -0.951 17822 9189 1 14 . 1 1 74 74 ALA H H 74 7.784 7.784 7.375 0.409 17822 9190 1 14 . 1 1 75 75 ILE N N 75 119.310 119.310 118.740 0.570 17822 9191 1 14 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.609 -0.247 17822 9192 1 14 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.885 0.725 17822 9193 1 14 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.001 0.423 17822 9194 1 14 . 1 1 75 75 ILE H H 75 8.638 8.638 8.622 0.016 17822 9195 1 14 . 1 1 76 76 THR N N 76 116.205 116.205 112.254 3.951 17822 9196 1 14 . 1 1 76 76 THR HA H 76 4.227 4.227 3.881 0.346 17822 9197 1 14 . 1 1 76 76 THR CA C 76 66.782 66.782 66.680 0.102 17822 9198 1 14 . 1 1 76 76 THR CB C 76 68.478 68.478 68.353 0.125 17822 9199 1 14 . 1 1 76 76 THR H H 76 8.317 8.317 7.909 0.408 17822 9200 1 14 . 1 1 77 77 SER N N 77 118.405 118.405 117.643 0.762 17822 9201 1 14 . 1 1 77 77 SER HA H 77 4.173 4.173 4.246 -0.073 17822 9202 1 14 . 1 1 77 77 SER CA C 77 62.482 62.482 60.989 1.492 17822 9203 1 14 . 1 1 77 77 SER CB C 77 63.484 63.484 63.101 0.383 17822 9204 1 14 . 1 1 77 77 SER H H 77 7.843 7.843 7.696 0.147 17822 9205 1 14 . 1 1 78 78 VAL N N 78 124.171 124.171 122.694 1.477 17822 9206 1 14 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.765 -0.192 17822 9207 1 14 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.301 0.423 17822 9208 1 14 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.418 -0.434 17822 9209 1 14 . 1 1 78 78 VAL H H 78 8.153 8.153 8.093 0.060 17822 9210 1 14 . 1 1 79 79 GLN N N 79 120.008 120.008 118.833 1.175 17822 9211 1 14 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.867 0.062 17822 9212 1 14 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.591 -0.205 17822 9213 1 14 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.318 0.461 17822 9214 1 14 . 1 1 79 79 GLN H H 79 8.688 8.688 8.651 0.037 17822 9215 1 14 . 1 1 80 80 GLN N N 80 116.870 116.870 118.072 -1.202 17822 9216 1 14 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.026 -0.251 17822 9217 1 14 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.143 -0.617 17822 9218 1 14 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.341 -0.364 17822 9219 1 14 . 1 1 80 80 GLN H H 80 7.850 7.850 7.807 0.043 17822 9220 1 14 . 1 1 81 81 ARG N N 81 119.074 119.074 119.184 -0.110 17822 9221 1 14 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.102 -0.110 17822 9222 1 14 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.989 -2.355 17822 9223 1 14 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.980 -1.659 17822 9224 1 14 . 1 1 81 81 ARG H H 81 7.520 7.520 7.559 -0.038 17822 9225 1 14 . 1 1 82 82 LEU N N 82 117.238 117.238 117.560 -0.322 17822 9226 1 14 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.316 -0.425 17822 9227 1 14 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.626 -0.189 17822 9228 1 14 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.258 -0.448 17822 9229 1 14 . 1 1 82 82 LEU H H 82 8.189 8.189 8.074 0.115 17822 9230 1 14 . 1 1 83 83 LYS N N 83 114.899 114.899 117.606 -2.707 17822 9231 1 14 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.094 -0.149 17822 9232 1 14 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.572 -0.906 17822 9233 1 14 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.112 -0.125 17822 9234 1 14 . 1 1 83 83 LYS H H 83 7.064 7.064 7.407 -0.343 17822 9235 1 14 . 1 1 84 84 LEU N N 84 117.840 117.840 118.075 -0.235 17822 9236 1 14 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.092 -0.219 17822 9237 1 14 . 1 1 84 84 LEU CA C 84 55.315 55.315 55.271 0.044 17822 9238 1 14 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.460 -0.531 17822 9239 1 14 . 1 1 84 84 LEU H H 84 7.271 7.271 7.817 -0.546 17822 9240 1 14 . 1 1 85 85 TYR N N 85 119.720 119.720 117.093 2.627 17822 9241 1 14 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.619 -0.364 17822 9242 1 14 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.163 1.904 17822 9243 1 14 . 1 1 85 85 TYR CB C 85 39.068 39.068 36.158 2.910 17822 9244 1 14 . 1 1 85 85 TYR H H 85 7.633 7.633 7.143 0.490 17822 9245 1 14 . 1 1 86 86 ASN N N 86 119.638 119.638 118.221 1.417 17822 9246 1 14 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.383 0.091 17822 9247 1 14 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.929 -2.047 17822 9248 1 14 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.930 -0.188 17822 9249 1 14 . 1 1 86 86 ASN H H 86 8.622 8.622 8.115 0.507 17822 9250 1 14 . 1 1 87 87 LYS N N 87 116.321 116.321 117.859 -1.538 17822 9251 1 14 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.356 0.141 17822 9252 1 14 . 1 1 87 87 LYS CA C 87 54.169 54.169 55.888 -1.719 17822 9253 1 14 . 1 1 87 87 LYS CB C 87 34.673 34.673 34.076 0.597 17822 9254 1 14 . 1 1 87 87 LYS H H 87 7.631 7.631 7.869 -0.238 17822 9255 1 14 . 1 1 88 88 VAL N N 88 125.141 125.141 117.501 7.640 17822 9256 1 14 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.484 -0.862 17822 9257 1 14 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.098 3.868 17822 9258 1 14 . 1 1 88 88 VAL CB C 88 32.288 32.288 32.090 0.198 17822 9259 1 14 . 1 1 88 88 VAL H H 88 8.357 8.357 8.101 0.256 17822 9260 1 14 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.691 -0.438 17822 9261 1 14 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.276 2.064 17822 9262 1 14 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.017 0.537 17822 9263 1 14 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.250 0.250 17822 9264 1 14 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.256 0.723 17822 9265 1 14 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.111 0.077 17822 9266 1 14 . 1 1 91 91 ASN N N 91 112.735 112.735 116.393 -3.658 17822 9267 1 14 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.526 0.129 17822 9268 1 14 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.666 -1.791 17822 9269 1 14 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.464 -1.021 17822 9270 1 14 . 1 1 91 91 ASN H H 91 9.163 9.163 8.579 0.584 17822 9271 1 14 . 1 1 92 92 GLY N N 92 108.893 108.893 106.671 2.222 17822 9272 1 14 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.709 -1.268 17822 9273 1 14 . 1 1 92 92 GLY H H 92 7.898 7.898 7.277 0.621 17822 9274 1 14 . 1 1 93 93 LEU N N 93 117.751 117.751 125.809 -8.058 17822 9275 1 14 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.170 0.154 17822 9276 1 14 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.454 -0.687 17822 9277 1 14 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.096 5.431 17822 9278 1 14 . 1 1 93 93 LEU H H 93 8.508 8.508 7.652 0.856 17822 9279 1 14 . 1 1 94 94 VAL N N 94 126.296 126.296 128.757 -2.461 17822 9280 1 14 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.663 -0.313 17822 9281 1 14 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.040 -0.565 17822 9282 1 14 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.477 -0.309 17822 9283 1 14 . 1 1 94 94 VAL H H 94 8.168 8.168 7.970 0.198 17822 9284 1 14 . 1 1 95 95 VAL N N 95 125.531 125.531 119.230 6.301 17822 9285 1 14 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.118 -0.978 17822 9286 1 14 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.247 1.056 17822 9287 1 14 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.473 0.722 17822 9288 1 14 . 1 1 95 95 VAL H H 95 8.744 8.744 8.172 0.572 17822 9289 1 14 . 1 1 96 96 TYR N N 96 123.577 123.577 123.668 -0.091 17822 9290 1 14 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.599 -0.267 17822 9291 1 14 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.939 0.638 17822 9292 1 14 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.679 -1.059 17822 9293 1 14 . 1 1 96 96 TYR H H 96 8.698 8.698 9.279 -0.581 17822 9294 1 14 . 1 1 97 97 CYS N N 97 120.144 120.144 122.496 -2.352 17822 9295 1 14 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.794 -0.246 17822 9296 1 14 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.027 -0.450 17822 9297 1 14 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.448 1.337 17822 9298 1 14 . 1 1 97 97 CYS H H 97 8.796 8.796 8.343 0.453 17822 9299 1 14 . 1 1 98 98 GLY N N 98 112.534 112.534 112.794 -0.260 17822 9300 1 14 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.330 0.468 17822 9301 1 14 . 1 1 98 98 GLY H H 98 8.776 8.776 8.329 0.447 17822 9302 1 14 . 1 1 99 99 THR N N 99 119.083 119.083 116.334 2.749 17822 9303 1 14 . 1 1 99 99 THR HA H 99 4.821 4.821 5.423 -0.602 17822 9304 1 14 . 1 1 99 99 THR CA C 99 62.294 62.294 61.846 0.448 17822 9305 1 14 . 1 1 99 99 THR CB C 99 69.781 69.781 70.919 -1.138 17822 9306 1 14 . 1 1 99 99 THR H H 99 8.168 8.168 8.392 -0.224 17822 9307 1 14 . 1 1 100 100 ILE N N 100 122.250 122.250 124.712 -2.462 17822 9308 1 14 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.625 -0.048 17822 9309 1 14 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.771 -0.188 17822 9310 1 14 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.515 -0.006 17822 9311 1 14 . 1 1 100 100 ILE H H 100 8.838 8.838 8.638 0.200 17822 9312 1 14 . 1 1 101 101 VAL N N 101 120.622 120.622 124.851 -4.229 17822 9313 1 14 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.917 -0.267 17822 9314 1 14 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.536 1.054 17822 9315 1 14 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.874 -1.985 17822 9316 1 14 . 1 1 101 101 VAL H H 101 8.310 8.310 8.441 -0.131 17822 9317 1 14 . 1 1 102 102 THR N N 102 118.661 118.661 122.584 -3.923 17822 9318 1 14 . 1 1 102 102 THR HA H 102 4.658 4.658 4.665 -0.007 17822 9319 1 14 . 1 1 102 102 THR CA C 102 60.590 60.590 60.030 0.560 17822 9320 1 14 . 1 1 102 102 THR CB C 102 71.189 71.189 70.183 1.006 17822 9321 1 14 . 1 1 102 102 THR H H 102 8.867 8.867 8.210 0.657 17822 9322 1 14 . 1 1 103 103 GLU N N 103 121.906 121.906 120.975 0.931 17822 9323 1 14 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.056 -0.138 17822 9324 1 14 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.805 0.122 17822 9325 1 14 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.521 -0.591 17822 9326 1 14 . 1 1 103 103 GLU H H 103 9.243 9.243 8.708 0.535 17822 9327 1 14 . 1 1 104 104 GLU N N 104 116.013 116.013 117.963 -1.950 17822 9328 1 14 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.152 0.022 17822 9329 1 14 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.278 -0.045 17822 9330 1 14 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.297 0.170 17822 9331 1 14 . 1 1 104 104 GLU H H 104 7.716 7.716 7.786 -0.070 17822 9332 1 14 . 1 1 105 105 GLY N N 105 109.001 109.001 107.545 1.456 17822 9333 1 14 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.287 -0.582 17822 9334 1 14 . 1 1 105 105 GLY H H 105 8.045 8.045 7.922 0.123 17822 9335 1 14 . 1 1 106 106 LYS N N 106 119.559 119.559 119.012 0.547 17822 9336 1 14 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.647 -0.316 17822 9337 1 14 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.471 -0.016 17822 9338 1 14 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.673 -0.251 17822 9339 1 14 . 1 1 106 106 LYS H H 106 6.924 6.924 7.577 -0.653 17822 9340 1 14 . 1 1 107 107 GLU N N 107 121.771 121.771 124.003 -2.232 17822 9341 1 14 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.352 0.602 17822 9342 1 14 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.361 -0.759 17822 9343 1 14 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.788 0.497 17822 9344 1 14 . 1 1 107 107 GLU H H 107 8.371 8.371 8.745 -0.374 17822 9345 1 14 . 1 1 108 108 LYS N N 108 125.216 125.216 122.862 2.354 17822 9346 1 14 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.495 -0.055 17822 9347 1 14 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.151 -0.065 17822 9348 1 14 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.670 1.245 17822 9349 1 14 . 1 1 108 108 LYS H H 108 8.946 8.946 8.397 0.549 17822 9350 1 14 . 1 1 109 109 LYS N N 109 125.136 125.136 128.124 -2.988 17822 9351 1 14 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.523 0.113 17822 9352 1 14 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.073 -0.299 17822 9353 1 14 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.218 0.582 17822 9354 1 14 . 1 1 109 109 LYS H H 109 8.548 8.548 8.646 -0.098 17822 9355 1 14 . 1 1 110 110 VAL N N 110 125.626 125.626 128.234 -2.608 17822 9356 1 14 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.113 -0.037 17822 9357 1 14 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.346 -0.782 17822 9358 1 14 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.722 1.170 17822 9359 1 14 . 1 1 110 110 VAL H H 110 8.850 8.850 9.035 -0.185 17822 9360 1 14 . 1 1 111 111 ASN N N 111 126.837 126.837 126.256 0.581 17822 9361 1 14 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.450 -0.162 17822 9362 1 14 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.173 1.136 17822 9363 1 14 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.240 0.229 17822 9364 1 14 . 1 1 111 111 ASN H H 111 8.711 8.711 8.419 0.291 17822 9365 1 14 . 1 1 112 112 ILE N N 112 125.729 125.729 124.371 1.358 17822 9366 1 14 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.376 0.008 17822 9367 1 14 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.176 -0.987 17822 9368 1 14 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.283 0.569 17822 9369 1 14 . 1 1 112 112 ILE H H 112 8.931 8.931 8.483 0.448 17822 9370 1 14 . 1 1 113 113 ASP N N 113 122.734 122.734 127.192 -4.458 17822 9371 1 14 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.975 -0.185 17822 9372 1 14 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.350 -1.145 17822 9373 1 14 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.337 -0.816 17822 9374 1 14 . 1 1 113 113 ASP H H 113 8.116 8.116 8.610 -0.494 17822 9375 1 14 . 1 1 114 114 PHE N N 114 116.385 116.385 119.724 -3.339 17822 9376 1 14 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.723 -0.020 17822 9377 1 14 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.462 -0.000 17822 9378 1 14 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.490 -0.783 17822 9379 1 14 . 1 1 114 114 PHE H H 114 8.613 8.613 8.310 0.303 17822 9380 1 14 . 1 1 115 115 GLU N N 115 124.642 124.642 120.107 4.535 17822 9381 1 14 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.407 0.386 17822 9382 1 14 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.023 -1.320 17822 9383 1 14 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.582 1.543 17822 9384 1 14 . 1 1 115 115 GLU H H 115 8.591 8.591 8.256 0.335 17822 9385 1 14 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.240 0.343 17822 9386 1 14 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.231 0.120 17822 9387 1 14 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.431 -1.468 17822 9388 1 14 . 1 1 117 117 PHE N N 117 116.676 116.676 114.164 2.512 17822 9389 1 14 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.483 -0.289 17822 9390 1 14 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.322 0.317 17822 9391 1 14 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.143 -1.391 17822 9392 1 14 . 1 1 117 117 PHE H H 117 7.842 7.842 8.158 -0.316 17822 9393 1 14 . 1 1 118 118 LYS N N 118 118.589 118.589 119.570 -0.981 17822 9394 1 14 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.206 -0.023 17822 9395 1 14 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.671 -0.337 17822 9396 1 14 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.227 1.966 17822 9397 1 14 . 1 1 118 118 LYS H H 118 6.889 6.889 6.876 0.013 17822 9398 1 14 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.482 0.041 17822 9399 1 14 . 1 1 119 119 PRO CA C 119 62.616 62.616 61.974 0.642 17822 9400 1 14 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.469 -0.297 17822 9401 1 14 . 1 1 120 120 ILE N N 120 121.968 121.968 121.437 0.531 17822 9402 1 14 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.207 -0.301 17822 9403 1 14 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.385 2.033 17822 9404 1 14 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.457 0.348 17822 9405 1 14 . 1 1 120 120 ILE H H 120 7.440 7.440 7.691 -0.251 17822 9406 1 14 . 1 1 121 121 ASN N N 121 120.951 120.951 126.109 -5.158 17822 9407 1 14 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.410 0.222 17822 9408 1 14 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.151 -1.270 17822 9409 1 14 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.516 0.782 17822 9410 1 14 . 1 1 121 121 ASN H H 121 8.112 8.112 9.050 -0.938 17822 9411 1 14 . 1 1 122 122 GLN N N 122 118.826 118.826 115.465 3.361 17822 9412 1 14 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.341 0.071 17822 9413 1 14 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.579 -0.181 17822 9414 1 14 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.569 0.917 17822 9415 1 14 . 1 1 122 122 GLN H H 122 7.009 7.009 7.518 -0.509 17822 9416 1 14 . 1 1 123 123 PHE N N 123 122.795 122.795 118.019 4.776 17822 9417 1 14 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.409 0.305 17822 9418 1 14 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.797 -0.591 17822 9419 1 14 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.032 0.685 17822 9420 1 14 . 1 1 123 123 PHE H H 123 8.335 8.335 8.588 -0.253 17822 9421 1 14 . 1 1 124 124 MET N N 124 126.990 126.990 126.420 0.570 17822 9422 1 14 . 1 1 124 124 MET HA H 124 3.984 3.984 4.436 -0.452 17822 9423 1 14 . 1 1 124 124 MET CA C 124 54.799 54.799 54.439 0.360 17822 9424 1 14 . 1 1 124 124 MET CB C 124 37.330 37.330 36.448 0.882 17822 9425 1 14 . 1 1 124 124 MET H H 124 7.992 7.992 8.426 -0.434 17822 9426 1 14 . 1 1 125 125 TYR N N 125 122.216 122.216 124.770 -2.554 17822 9427 1 14 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.497 0.407 17822 9428 1 14 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.287 -0.538 17822 9429 1 14 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.325 0.828 17822 9430 1 14 . 1 1 125 125 TYR H H 125 7.552 7.552 8.113 -0.561 17822 9431 1 14 . 1 1 126 126 PHE N N 126 124.584 124.584 118.235 6.349 17822 9432 1 14 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.780 -0.705 17822 9433 1 14 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.526 0.879 17822 9434 1 14 . 1 1 126 126 PHE CB C 126 44.419 44.419 41.099 3.321 17822 9435 1 14 . 1 1 126 126 PHE H H 126 8.271 8.271 6.545 1.726 17822 9436 1 14 . 1 1 127 127 CYS N N 127 124.011 124.011 118.962 5.049 17822 9437 1 14 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.692 0.104 17822 9438 1 14 . 1 1 127 127 CYS CA C 127 57.840 57.840 56.780 1.060 17822 9439 1 14 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.915 -4.984 17822 9440 1 14 . 1 1 127 127 CYS H H 127 8.442 8.442 8.798 -0.356 17822 9441 1 14 . 1 1 128 128 ASP N N 128 127.486 127.486 121.135 6.351 17822 9442 1 14 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.585 0.421 17822 9443 1 14 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.465 -1.959 17822 9444 1 14 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.382 3.014 17822 9445 1 14 . 1 1 128 128 ASP H H 128 8.907 8.907 8.344 0.563 17822 9446 1 14 . 1 1 129 129 ASN N N 129 119.092 119.092 117.127 1.965 17822 9447 1 14 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.174 0.490 17822 9448 1 14 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.464 -1.729 17822 9449 1 14 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.970 -0.068 17822 9450 1 14 . 1 1 129 129 ASN H H 129 9.136 9.136 8.861 0.275 17822 9451 1 14 . 1 1 130 130 LYS N N 130 114.367 114.367 114.001 0.366 17822 9452 1 14 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.402 -0.239 17822 9453 1 14 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.096 -0.870 17822 9454 1 14 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.138 -0.046 17822 9455 1 14 . 1 1 130 130 LYS H H 130 7.115 7.115 7.160 -0.045 17822 9456 1 14 . 1 1 131 131 PHE N N 131 121.117 121.117 121.341 -0.224 17822 9457 1 14 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.526 -0.011 17822 9458 1 14 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.084 -1.934 17822 9459 1 14 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.907 -0.818 17822 9460 1 14 . 1 1 131 131 PHE H H 131 9.291 9.291 8.802 0.489 17822 9461 1 14 . 1 1 132 132 HIS N N 132 121.897 121.897 125.929 -4.032 17822 9462 1 14 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.839 -0.456 17822 9463 1 14 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.843 0.160 17822 9464 1 14 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.011 -1.668 17822 9465 1 14 . 1 1 132 132 HIS H H 132 9.026 9.026 8.357 0.669 17822 9466 1 14 . 1 1 133 133 THR N N 133 117.915 117.915 118.290 -0.375 17822 9467 1 14 . 1 1 133 133 THR HA H 133 4.612 4.612 4.758 -0.146 17822 9468 1 14 . 1 1 133 133 THR CA C 133 61.679 61.679 61.894 -0.215 17822 9469 1 14 . 1 1 133 133 THR CB C 133 73.856 73.856 70.703 3.153 17822 9470 1 14 . 1 1 133 133 THR H H 133 8.700 8.700 8.319 0.381 17822 9471 1 14 . 1 1 134 134 GLU N N 134 129.072 129.072 127.736 1.336 17822 9472 1 14 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.223 -0.244 17822 9473 1 14 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.464 1.069 17822 9474 1 14 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.656 -2.153 17822 9475 1 14 . 1 1 134 134 GLU H H 134 10.805 10.805 8.672 2.133 17822 9476 1 14 . 1 1 135 135 ALA N N 135 122.099 122.099 122.267 -0.168 17822 9477 1 14 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.058 0.013 17822 9478 1 14 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.092 -0.579 17822 9479 1 14 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.854 0.907 17822 9480 1 14 . 1 1 135 135 ALA H H 135 8.590 8.590 8.582 0.008 17822 9481 1 14 . 1 1 136 136 LEU N N 136 116.720 116.720 117.975 -1.255 17822 9482 1 14 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.980 0.074 17822 9483 1 14 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.952 -1.375 17822 9484 1 14 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.540 -0.229 17822 9485 1 14 . 1 1 136 136 LEU H H 136 7.471 7.471 7.812 -0.341 17822 9486 1 14 . 1 1 137 137 THR N N 137 117.177 117.177 112.706 4.471 17822 9487 1 14 . 1 1 137 137 THR HA H 137 4.005 4.005 4.026 -0.021 17822 9488 1 14 . 1 1 137 137 THR CA C 137 66.610 66.610 65.342 1.268 17822 9489 1 14 . 1 1 137 137 THR CB C 137 67.980 67.980 68.881 -0.901 17822 9490 1 14 . 1 1 137 137 THR H H 137 8.044 8.044 7.592 0.452 17822 9491 1 14 . 1 1 138 138 ALA N N 138 124.719 124.719 124.171 0.548 17822 9492 1 14 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.315 -0.314 17822 9493 1 14 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.475 0.439 17822 9494 1 14 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.652 -1.155 17822 9495 1 14 . 1 1 138 138 ALA H H 138 7.695 7.695 8.101 -0.406 17822 9496 1 14 . 1 1 139 139 LEU N N 139 120.059 120.059 120.550 -0.491 17822 9497 1 14 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.992 0.007 17822 9498 1 14 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.891 -0.397 17822 9499 1 14 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.696 1.116 17822 9500 1 14 . 1 1 139 139 LEU H H 139 7.345 7.345 8.331 -0.986 17822 9501 1 14 . 1 1 140 140 LEU N N 140 117.771 117.771 118.914 -1.143 17822 9502 1 14 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.965 -0.008 17822 9503 1 14 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.902 -1.924 17822 9504 1 14 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.718 -0.479 17822 9505 1 14 . 1 1 140 140 LEU H H 140 7.748 7.748 7.880 -0.132 17822 9506 1 14 . 1 1 141 141 SER N N 141 114.778 114.778 112.769 2.009 17822 9507 1 14 . 1 1 141 141 SER HA H 141 4.107 4.107 4.198 -0.091 17822 9508 1 14 . 1 1 141 141 SER CA C 141 60.647 60.647 60.912 -0.265 17822 9509 1 14 . 1 1 141 141 SER CB C 141 62.650 62.650 62.755 -0.105 17822 9510 1 14 . 1 1 141 141 SER H H 141 7.807 7.807 7.783 0.024 17822 9511 1 14 . 1 1 142 142 ASP N N 142 121.827 121.827 120.774 1.053 17822 9512 1 14 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.542 -0.184 17822 9513 1 14 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.206 -0.145 17822 9514 1 14 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.406 -0.797 17822 9515 1 14 . 1 1 142 142 ASP H H 142 7.878 7.878 7.882 -0.004 17822 9516 1 14 . 1 1 143 143 LEU N N 143 120.220 120.220 120.466 -0.246 17822 9517 1 14 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.195 -0.223 17822 9518 1 14 . 1 1 143 143 LEU CA C 143 56.462 56.462 57.065 -0.603 17822 9519 1 14 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.506 -0.292 17822 9520 1 14 . 1 1 143 143 LEU H H 143 7.846 7.846 8.239 -0.393 17822 9521 1 15 . 1 1 2 2 ALA N N 2 125.964 125.964 126.448 -0.484 17822 9522 1 15 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.416 0.196 17822 9523 1 15 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.715 0.577 17822 9524 1 15 . 1 1 2 2 ALA H H 2 8.065 8.065 8.488 -0.423 17822 9525 1 15 . 1 1 3 3 ASP N N 3 119.188 119.188 119.976 -0.788 17822 9526 1 15 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.712 -0.102 17822 9527 1 15 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.367 0.515 17822 9528 1 15 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.022 -0.212 17822 9529 1 15 . 1 1 3 3 ASP H H 3 8.203 8.203 8.370 -0.167 17822 9530 1 15 . 1 1 4 4 ASP N N 4 121.607 121.607 123.885 -2.278 17822 9531 1 15 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.833 -0.461 17822 9532 1 15 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.062 -0.301 17822 9533 1 15 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.040 -1.130 17822 9534 1 15 . 1 1 4 4 ASP H H 4 7.954 7.954 8.389 -0.435 17822 9535 1 15 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.374 -0.122 17822 9536 1 15 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.605 -1.237 17822 9537 1 15 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.337 -0.477 17822 9538 1 15 . 1 1 6 6 SER N N 6 115.864 115.864 113.326 2.538 17822 9539 1 15 . 1 1 6 6 SER HA H 6 4.252 4.252 4.428 -0.176 17822 9540 1 15 . 1 1 6 6 SER CA C 6 58.870 58.870 59.543 -0.673 17822 9541 1 15 . 1 1 6 6 SER CB C 6 63.368 63.368 63.021 0.347 17822 9542 1 15 . 1 1 6 6 SER H H 6 8.310 8.310 7.852 0.458 17822 9543 1 15 . 1 1 7 7 ALA N N 7 125.955 125.955 123.973 1.982 17822 9544 1 15 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.233 -0.234 17822 9545 1 15 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.110 -0.801 17822 9546 1 15 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.785 0.766 17822 9547 1 15 . 1 1 7 7 ALA H H 7 7.854 7.854 8.463 -0.609 17822 9548 1 15 . 1 1 8 8 ALA N N 8 122.354 122.354 121.294 1.060 17822 9549 1 15 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.005 -0.208 17822 9550 1 15 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.103 -1.508 17822 9551 1 15 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.249 0.203 17822 9552 1 15 . 1 1 8 8 ALA H H 8 7.910 7.910 7.816 0.094 17822 9553 1 15 . 1 1 9 9 ASP N N 9 119.431 119.431 117.776 1.655 17822 9554 1 15 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.392 -0.073 17822 9555 1 15 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.220 -2.077 17822 9556 1 15 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.367 0.256 17822 9557 1 15 . 1 1 9 9 ASP H H 9 7.970 7.970 7.916 0.054 17822 9558 1 15 . 1 1 10 10 ARG N N 10 122.263 122.263 121.003 1.260 17822 9559 1 15 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.234 -0.398 17822 9560 1 15 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.054 -1.273 17822 9561 1 15 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.262 -0.380 17822 9562 1 15 . 1 1 10 10 ARG H H 10 8.036 8.036 7.888 0.148 17822 9563 1 15 . 1 1 11 11 ASN N N 11 118.325 118.325 117.087 1.238 17822 9564 1 15 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.473 -0.170 17822 9565 1 15 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.872 -0.729 17822 9566 1 15 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.288 -0.486 17822 9567 1 15 . 1 1 11 11 ASN H H 11 8.077 8.077 7.770 0.307 17822 9568 1 15 . 1 1 12 12 VAL N N 12 122.103 122.103 121.319 0.784 17822 9569 1 15 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.677 0.938 17822 9570 1 15 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.043 -0.422 17822 9571 1 15 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.091 0.395 17822 9572 1 15 . 1 1 12 12 VAL H H 12 7.741 7.741 7.679 0.062 17822 9573 1 15 . 1 1 13 13 GLU N N 13 120.785 120.785 119.515 1.270 17822 9574 1 15 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.888 -0.654 17822 9575 1 15 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.384 5.677 17822 9576 1 15 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.928 0.840 17822 9577 1 15 . 1 1 13 13 GLU H H 13 7.751 7.751 7.991 -0.240 17822 9578 1 15 . 1 1 14 14 ILE N N 14 120.199 120.199 120.137 0.062 17822 9579 1 15 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.542 0.246 17822 9580 1 15 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.579 -5.397 17822 9581 1 15 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.334 -1.340 17822 9582 1 15 . 1 1 14 14 ILE H H 14 7.650 7.650 7.152 0.498 17822 9583 1 15 . 1 1 15 15 TRP N N 15 120.828 120.828 117.550 3.278 17822 9584 1 15 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.629 -0.576 17822 9585 1 15 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.565 3.025 17822 9586 1 15 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.709 -0.265 17822 9587 1 15 . 1 1 15 15 TRP H H 15 7.759 7.759 7.139 0.620 17822 9588 1 15 . 1 1 16 16 LYS N N 16 119.063 119.063 122.217 -3.154 17822 9589 1 15 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.175 -0.685 17822 9590 1 15 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.082 1.887 17822 9591 1 15 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.923 0.255 17822 9592 1 15 . 1 1 16 16 LYS H H 16 7.963 7.963 7.762 0.201 17822 9593 1 15 . 1 1 17 17 ILE N N 17 120.609 120.609 119.599 1.010 17822 9594 1 15 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.896 -0.285 17822 9595 1 15 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.125 -0.669 17822 9596 1 15 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.596 -1.298 17822 9597 1 15 . 1 1 17 17 ILE H H 17 7.630 7.630 8.493 -0.863 17822 9598 1 15 . 1 1 18 18 LYS N N 18 121.687 121.687 119.292 2.395 17822 9599 1 15 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.042 -0.459 17822 9600 1 15 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.471 1.459 17822 9601 1 15 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.582 0.500 17822 9602 1 15 . 1 1 18 18 LYS H H 18 8.297 8.297 7.756 0.541 17822 9603 1 15 . 1 1 19 19 LYS N N 19 119.253 119.253 118.843 0.410 17822 9604 1 15 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.103 -0.486 17822 9605 1 15 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.474 0.511 17822 9606 1 15 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.191 -0.332 17822 9607 1 15 . 1 1 19 19 LYS H H 19 7.685 7.685 7.635 0.050 17822 9608 1 15 . 1 1 20 20 LEU N N 20 123.001 123.001 123.173 -0.172 17822 9609 1 15 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.944 -0.119 17822 9610 1 15 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.940 -0.159 17822 9611 1 15 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.201 -0.790 17822 9612 1 15 . 1 1 20 20 LEU H H 20 7.509 7.509 7.513 -0.004 17822 9613 1 15 . 1 1 21 21 ILE N N 21 119.392 119.392 118.403 0.989 17822 9614 1 15 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.641 -0.571 17822 9615 1 15 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.441 3.054 17822 9616 1 15 . 1 1 21 21 ILE CB C 21 38.203 38.203 36.995 1.208 17822 9617 1 15 . 1 1 21 21 ILE H H 21 8.474 8.474 7.925 0.549 17822 9618 1 15 . 1 1 22 22 LYS N N 22 117.524 117.524 117.895 -0.371 17822 9619 1 15 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.091 -0.285 17822 9620 1 15 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.047 -0.234 17822 9621 1 15 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.344 -0.457 17822 9622 1 15 . 1 1 22 22 LYS H H 22 7.300 7.300 7.656 -0.356 17822 9623 1 15 . 1 1 23 23 SER N N 23 114.880 114.880 114.708 0.172 17822 9624 1 15 . 1 1 23 23 SER HA H 23 4.008 4.008 4.285 -0.277 17822 9625 1 15 . 1 1 23 23 SER CA C 23 61.106 61.106 60.548 0.558 17822 9626 1 15 . 1 1 23 23 SER CB C 23 62.587 62.587 63.915 -1.328 17822 9627 1 15 . 1 1 23 23 SER H H 23 7.653 7.653 7.557 0.096 17822 9628 1 15 . 1 1 24 24 LEU N N 24 121.607 121.607 122.447 -0.840 17822 9629 1 15 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.489 0.383 17822 9630 1 15 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.705 -0.842 17822 9631 1 15 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.192 0.097 17822 9632 1 15 . 1 1 24 24 LEU H H 24 8.158 8.158 8.603 -0.445 17822 9633 1 15 . 1 1 25 25 GLU N N 25 119.392 119.392 118.056 1.336 17822 9634 1 15 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.117 -0.236 17822 9635 1 15 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.783 -0.201 17822 9636 1 15 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.279 -0.099 17822 9637 1 15 . 1 1 25 25 GLU H H 25 8.344 8.344 7.801 0.543 17822 9638 1 15 . 1 1 26 26 ALA N N 26 119.228 119.228 119.690 -0.462 17822 9639 1 15 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.340 -0.223 17822 9640 1 15 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.633 0.357 17822 9641 1 15 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.321 -0.368 17822 9642 1 15 . 1 1 26 26 ALA H H 26 7.154 7.154 7.375 -0.221 17822 9643 1 15 . 1 1 27 27 ALA N N 27 121.417 121.417 123.887 -2.470 17822 9644 1 15 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.249 -0.179 17822 9645 1 15 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.144 -0.676 17822 9646 1 15 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.293 0.010 17822 9647 1 15 . 1 1 27 27 ALA H H 27 6.833 6.833 7.580 -0.747 17822 9648 1 15 . 1 1 28 28 ARG N N 28 123.986 123.986 122.711 1.275 17822 9649 1 15 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.499 -0.003 17822 9650 1 15 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.243 -1.074 17822 9651 1 15 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.609 0.352 17822 9652 1 15 . 1 1 28 28 ARG H H 28 8.679 8.679 8.112 0.567 17822 9653 1 15 . 1 1 29 29 GLY N N 29 109.466 109.466 107.560 1.906 17822 9654 1 15 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.851 -0.462 17822 9655 1 15 . 1 1 29 29 GLY H H 29 8.091 8.091 8.204 -0.113 17822 9656 1 15 . 1 1 30 30 ASN N N 30 120.048 120.048 116.999 3.049 17822 9657 1 15 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.600 0.055 17822 9658 1 15 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.098 -1.469 17822 9659 1 15 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.163 -1.361 17822 9660 1 15 . 1 1 30 30 ASN H H 30 8.419 8.419 8.618 -0.199 17822 9661 1 15 . 1 1 31 31 GLY N N 31 110.450 110.450 105.801 4.649 17822 9662 1 15 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.533 -0.847 17822 9663 1 15 . 1 1 31 31 GLY H H 31 8.071 8.071 8.589 -0.518 17822 9664 1 15 . 1 1 32 32 THR N N 32 112.929 112.929 116.834 -3.905 17822 9665 1 15 . 1 1 32 32 THR HA H 32 4.993 4.993 4.548 0.445 17822 9666 1 15 . 1 1 32 32 THR CA C 32 59.598 59.598 60.480 -0.882 17822 9667 1 15 . 1 1 32 32 THR H H 32 7.747 7.747 7.734 0.013 17822 9668 1 15 . 1 1 33 33 SER N N 33 115.208 115.208 115.707 -0.499 17822 9669 1 15 . 1 1 33 33 SER HA H 33 4.335 4.335 4.793 -0.458 17822 9670 1 15 . 1 1 33 33 SER CA C 33 58.067 58.067 56.910 1.157 17822 9671 1 15 . 1 1 33 33 SER CB C 33 64.572 64.572 64.022 0.549 17822 9672 1 15 . 1 1 33 33 SER H H 33 7.701 7.701 8.516 -0.815 17822 9673 1 15 . 1 1 34 34 MET N N 34 120.869 120.869 122.384 -1.515 17822 9674 1 15 . 1 1 34 34 MET HA H 34 4.666 4.666 4.773 -0.107 17822 9675 1 15 . 1 1 34 34 MET CA C 34 54.799 54.799 53.143 1.656 17822 9676 1 15 . 1 1 34 34 MET CB C 34 34.700 34.700 33.905 0.795 17822 9677 1 15 . 1 1 34 34 MET H H 34 8.679 8.679 8.317 0.362 17822 9678 1 15 . 1 1 35 35 ILE N N 35 126.806 126.806 119.725 7.081 17822 9679 1 15 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.203 1.967 17822 9680 1 15 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.180 -0.278 17822 9681 1 15 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.256 -1.583 17822 9682 1 15 . 1 1 35 35 ILE H H 35 9.562 9.562 8.043 1.519 17822 9683 1 15 . 1 1 36 36 SER N N 36 122.217 122.217 121.738 0.479 17822 9684 1 15 . 1 1 36 36 SER HA H 36 4.968 4.968 5.133 -0.165 17822 9685 1 15 . 1 1 36 36 SER CA C 36 56.602 56.602 57.141 -0.539 17822 9686 1 15 . 1 1 36 36 SER CB C 36 64.572 64.572 64.017 0.555 17822 9687 1 15 . 1 1 36 36 SER H H 36 8.422 8.422 8.077 0.345 17822 9688 1 15 . 1 1 37 37 LEU N N 37 128.938 128.938 126.123 2.815 17822 9689 1 15 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.907 0.074 17822 9690 1 15 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.283 0.198 17822 9691 1 15 . 1 1 37 37 LEU CB C 37 45.376 45.376 46.114 -0.738 17822 9692 1 15 . 1 1 37 37 LEU H H 37 8.916 8.916 7.543 1.373 17822 9693 1 15 . 1 1 38 38 ILE N N 38 128.296 128.296 115.341 12.955 17822 9694 1 15 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.955 0.017 17822 9695 1 15 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.605 0.240 17822 9696 1 15 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.056 -2.051 17822 9697 1 15 . 1 1 38 38 ILE H H 38 8.740 8.740 8.427 0.313 17822 9698 1 15 . 1 1 39 39 ILE N N 39 125.429 125.429 123.426 2.003 17822 9699 1 15 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.606 -0.207 17822 9700 1 15 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.623 -0.900 17822 9701 1 15 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.261 2.400 17822 9702 1 15 . 1 1 39 39 ILE H H 39 8.960 8.960 8.288 0.672 17822 9703 1 15 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.796 -0.389 17822 9704 1 15 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.578 5.604 17822 9705 1 15 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.076 0.295 17822 9706 1 15 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.390 -0.569 17822 9707 1 15 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.389 3.426 17822 9708 1 15 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.804 0.373 17822 9709 1 15 . 1 1 42 42 LYS N N 42 113.683 113.683 117.112 -3.429 17822 9710 1 15 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.456 -0.500 17822 9711 1 15 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.225 0.581 17822 9712 1 15 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.323 -2.141 17822 9713 1 15 . 1 1 42 42 LYS H H 42 8.004 8.004 8.353 -0.349 17822 9714 1 15 . 1 1 43 43 ASP N N 43 121.628 121.628 118.564 3.064 17822 9715 1 15 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.821 -0.386 17822 9716 1 15 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.167 -0.661 17822 9717 1 15 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.525 -1.310 17822 9718 1 15 . 1 1 43 43 ASP H H 43 7.290 7.290 7.486 -0.196 17822 9719 1 15 . 1 1 44 44 GLN N N 44 117.587 117.587 118.128 -0.541 17822 9720 1 15 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.574 -0.037 17822 9721 1 15 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.684 -0.745 17822 9722 1 15 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.742 -0.198 17822 9723 1 15 . 1 1 44 44 GLN H H 44 9.610 9.610 8.398 1.212 17822 9724 1 15 . 1 1 45 45 ILE N N 45 126.939 126.939 123.014 3.925 17822 9725 1 15 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.733 -0.432 17822 9726 1 15 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.899 -0.615 17822 9727 1 15 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.590 -1.957 17822 9728 1 15 . 1 1 45 45 ILE H H 45 8.806 8.806 9.102 -0.296 17822 9729 1 15 . 1 1 46 46 SER N N 46 113.239 113.239 115.119 -1.880 17822 9730 1 15 . 1 1 46 46 SER HA H 46 3.931 3.931 4.103 -0.172 17822 9731 1 15 . 1 1 46 46 SER CA C 46 60.762 60.762 61.339 -0.577 17822 9732 1 15 . 1 1 46 46 SER CB C 46 61.464 61.464 62.720 -1.256 17822 9733 1 15 . 1 1 46 46 SER H H 46 8.476 8.476 8.447 0.029 17822 9734 1 15 . 1 1 47 47 ARG N N 47 124.530 124.530 122.217 2.313 17822 9735 1 15 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.040 -0.249 17822 9736 1 15 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.925 0.002 17822 9737 1 15 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.585 0.998 17822 9738 1 15 . 1 1 47 47 ARG H H 47 6.731 6.731 7.936 -1.205 17822 9739 1 15 . 1 1 48 48 VAL N N 48 121.935 121.935 118.889 3.046 17822 9740 1 15 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.581 -0.434 17822 9741 1 15 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.744 -0.536 17822 9742 1 15 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.808 -0.341 17822 9743 1 15 . 1 1 48 48 VAL H H 48 7.257 7.257 7.677 -0.420 17822 9744 1 15 . 1 1 49 49 ALA N N 49 122.345 122.345 119.532 2.813 17822 9745 1 15 . 1 1 49 49 ALA HA H 49 3.882 3.882 3.997 -0.115 17822 9746 1 15 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.945 0.198 17822 9747 1 15 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.188 -0.538 17822 9748 1 15 . 1 1 49 49 ALA H H 49 8.864 8.864 7.730 1.134 17822 9749 1 15 . 1 1 50 50 LYS N N 50 120.376 120.376 119.903 0.473 17822 9750 1 15 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.159 -0.256 17822 9751 1 15 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.628 0.299 17822 9752 1 15 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.399 -0.813 17822 9753 1 15 . 1 1 50 50 LYS H H 50 7.380 7.380 7.767 -0.387 17822 9754 1 15 . 1 1 51 51 MET N N 51 121.641 121.641 118.068 3.573 17822 9755 1 15 . 1 1 51 51 MET HA H 51 3.935 3.935 4.138 -0.203 17822 9756 1 15 . 1 1 51 51 MET CA C 51 58.927 58.927 58.610 0.317 17822 9757 1 15 . 1 1 51 51 MET CB C 51 30.734 30.734 32.012 -1.278 17822 9758 1 15 . 1 1 51 51 MET H H 51 7.508 7.508 8.010 -0.502 17822 9759 1 15 . 1 1 52 52 LEU N N 52 120.125 120.125 120.069 0.056 17822 9760 1 15 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.194 -0.537 17822 9761 1 15 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.846 0.591 17822 9762 1 15 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.782 -0.228 17822 9763 1 15 . 1 1 52 52 LEU H H 52 8.203 8.203 7.712 0.491 17822 9764 1 15 . 1 1 53 53 ALA N N 53 123.639 123.639 122.058 1.581 17822 9765 1 15 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.873 0.072 17822 9766 1 15 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.321 -0.522 17822 9767 1 15 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.769 -0.520 17822 9768 1 15 . 1 1 53 53 ALA H H 53 7.775 7.775 7.496 0.279 17822 9769 1 15 . 1 1 54 54 ASP N N 54 123.165 123.165 118.030 5.135 17822 9770 1 15 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.410 -0.081 17822 9771 1 15 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.025 0.182 17822 9772 1 15 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.925 -1.821 17822 9773 1 15 . 1 1 54 54 ASP H H 54 8.156 8.156 7.707 0.449 17822 9774 1 15 . 1 1 55 55 GLU N N 55 122.017 122.017 119.440 2.577 17822 9775 1 15 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.033 -0.157 17822 9776 1 15 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.998 -0.415 17822 9777 1 15 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.345 -0.326 17822 9778 1 15 . 1 1 55 55 GLU H H 55 8.221 8.221 7.617 0.604 17822 9779 1 15 . 1 1 56 56 PHE N N 56 123.334 123.334 121.543 1.791 17822 9780 1 15 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.261 0.420 17822 9781 1 15 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.236 0.279 17822 9782 1 15 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.841 0.371 17822 9783 1 15 . 1 1 56 56 PHE H H 56 8.711 8.711 8.177 0.534 17822 9784 1 15 . 1 1 57 57 GLY N N 57 107.156 107.156 106.069 1.087 17822 9785 1 15 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.561 -0.078 17822 9786 1 15 . 1 1 57 57 GLY H H 57 7.985 7.985 8.070 -0.085 17822 9787 1 15 . 1 1 58 58 THR N N 58 118.940 118.940 115.920 3.020 17822 9788 1 15 . 1 1 58 58 THR HA H 58 4.062 4.062 4.204 -0.142 17822 9789 1 15 . 1 1 58 58 THR CA C 58 65.406 65.406 64.928 0.478 17822 9790 1 15 . 1 1 58 58 THR CB C 58 68.408 68.408 68.600 -0.192 17822 9791 1 15 . 1 1 58 58 THR H H 58 7.992 7.992 7.585 0.407 17822 9792 1 15 . 1 1 59 59 ALA N N 59 126.365 126.365 125.285 1.080 17822 9793 1 15 . 1 1 59 59 ALA HA H 59 3.928 3.928 3.976 -0.048 17822 9794 1 15 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.934 -0.996 17822 9795 1 15 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.734 0.417 17822 9796 1 15 . 1 1 59 59 ALA H H 59 8.351 8.351 8.057 0.294 17822 9797 1 15 . 1 1 60 60 SER N N 60 112.435 112.435 111.844 0.591 17822 9798 1 15 . 1 1 60 60 SER HA H 60 4.632 4.632 4.093 0.539 17822 9799 1 15 . 1 1 60 60 SER CA C 60 61.220 61.220 60.177 1.043 17822 9800 1 15 . 1 1 60 60 SER CB C 60 62.686 62.686 63.008 -0.322 17822 9801 1 15 . 1 1 60 60 SER H H 60 7.459 7.459 7.752 -0.293 17822 9802 1 15 . 1 1 61 61 ASN N N 61 116.971 116.971 118.522 -1.551 17822 9803 1 15 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.659 -0.146 17822 9804 1 15 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.780 -0.758 17822 9805 1 15 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.731 0.274 17822 9806 1 15 . 1 1 61 61 ASN H H 61 7.372 7.372 7.872 -0.500 17822 9807 1 15 . 1 1 62 62 ILE N N 62 123.980 123.980 122.302 1.678 17822 9808 1 15 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.837 -0.201 17822 9809 1 15 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.715 0.713 17822 9810 1 15 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.747 -0.317 17822 9811 1 15 . 1 1 62 62 ILE H H 62 7.461 7.461 7.489 -0.028 17822 9812 1 15 . 1 1 63 63 LYS N N 63 128.982 128.982 126.350 2.632 17822 9813 1 15 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.096 -0.299 17822 9814 1 15 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.963 0.735 17822 9815 1 15 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.573 0.133 17822 9816 1 15 . 1 1 63 63 LYS H H 63 8.417 8.417 8.307 0.110 17822 9817 1 15 . 1 1 64 64 SER N N 64 114.306 114.306 117.916 -3.610 17822 9818 1 15 . 1 1 64 64 SER HA H 64 4.616 4.616 4.428 0.188 17822 9819 1 15 . 1 1 64 64 SER CA C 64 56.749 56.749 57.867 -1.118 17822 9820 1 15 . 1 1 64 64 SER CB C 64 62.962 62.962 63.302 -0.340 17822 9821 1 15 . 1 1 64 64 SER H H 64 7.599 7.599 8.097 -0.498 17822 9822 1 15 . 1 1 65 65 ARG N N 65 132.125 132.125 128.011 4.114 17822 9823 1 15 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.885 0.421 17822 9824 1 15 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.849 0.053 17822 9825 1 15 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.803 3.295 17822 9826 1 15 . 1 1 65 65 ARG H H 65 8.689 8.689 8.823 -0.134 17822 9827 1 15 . 1 1 66 66 VAL N N 66 116.947 116.947 119.287 -2.340 17822 9828 1 15 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.617 -0.066 17822 9829 1 15 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.318 -0.855 17822 9830 1 15 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.769 0.817 17822 9831 1 15 . 1 1 66 66 VAL H H 66 7.946 7.946 8.275 -0.329 17822 9832 1 15 . 1 1 67 67 ASN N N 67 119.499 119.499 117.424 2.075 17822 9833 1 15 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.359 0.053 17822 9834 1 15 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.284 -0.911 17822 9835 1 15 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.222 -0.186 17822 9836 1 15 . 1 1 67 67 ASN H H 67 7.386 7.386 7.736 -0.350 17822 9837 1 15 . 1 1 68 68 ARG N N 68 122.132 122.132 121.783 0.349 17822 9838 1 15 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.930 -0.336 17822 9839 1 15 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.504 0.294 17822 9840 1 15 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.029 0.530 17822 9841 1 15 . 1 1 68 68 ARG H H 68 8.566 8.566 7.675 0.891 17822 9842 1 15 . 1 1 69 69 LEU N N 69 116.564 116.564 118.513 -1.949 17822 9843 1 15 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.229 -0.446 17822 9844 1 15 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.342 0.553 17822 9845 1 15 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.795 -0.186 17822 9846 1 15 . 1 1 69 69 LEU H H 69 8.167 8.167 8.645 -0.478 17822 9847 1 15 . 1 1 70 70 SER N N 70 116.805 116.805 114.161 2.644 17822 9848 1 15 . 1 1 70 70 SER HA H 70 4.132 4.132 4.297 -0.165 17822 9849 1 15 . 1 1 70 70 SER CA C 70 61.450 61.450 61.091 0.359 17822 9850 1 15 . 1 1 70 70 SER CB C 70 62.635 62.635 63.024 -0.389 17822 9851 1 15 . 1 1 70 70 SER H H 70 7.589 7.589 7.651 -0.062 17822 9852 1 15 . 1 1 71 71 VAL N N 71 124.991 124.991 122.963 2.028 17822 9853 1 15 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.896 -0.413 17822 9854 1 15 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.744 2.095 17822 9855 1 15 . 1 1 71 71 VAL CB C 71 31.649 31.649 32.083 -0.433 17822 9856 1 15 . 1 1 71 71 VAL H H 71 7.934 7.934 8.228 -0.294 17822 9857 1 15 . 1 1 72 72 LEU N N 72 118.680 118.680 119.912 -1.232 17822 9858 1 15 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.027 -0.306 17822 9859 1 15 . 1 1 72 72 LEU CA C 72 58.239 58.239 58.013 0.226 17822 9860 1 15 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.010 -0.712 17822 9861 1 15 . 1 1 72 72 LEU H H 72 8.354 8.354 8.749 -0.395 17822 9862 1 15 . 1 1 73 73 GLY N N 73 106.674 106.674 106.082 0.592 17822 9863 1 15 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.394 -0.449 17822 9864 1 15 . 1 1 73 73 GLY H H 73 8.052 8.052 7.929 0.123 17822 9865 1 15 . 1 1 74 74 ALA N N 74 127.313 127.313 124.554 2.759 17822 9866 1 15 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.169 -0.016 17822 9867 1 15 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.132 1.241 17822 9868 1 15 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.580 -0.774 17822 9869 1 15 . 1 1 74 74 ALA H H 74 7.784 7.784 7.444 0.340 17822 9870 1 15 . 1 1 75 75 ILE N N 75 119.310 119.310 119.243 0.067 17822 9871 1 15 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.719 -0.357 17822 9872 1 15 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.613 0.997 17822 9873 1 15 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.072 0.352 17822 9874 1 15 . 1 1 75 75 ILE H H 75 8.638 8.638 7.918 0.720 17822 9875 1 15 . 1 1 76 76 THR N N 76 116.205 116.205 114.023 2.182 17822 9876 1 15 . 1 1 76 76 THR HA H 76 4.227 4.227 3.936 0.291 17822 9877 1 15 . 1 1 76 76 THR CA C 76 66.782 66.782 66.672 0.110 17822 9878 1 15 . 1 1 76 76 THR CB C 76 68.478 68.478 68.029 0.449 17822 9879 1 15 . 1 1 76 76 THR H H 76 8.317 8.317 8.536 -0.219 17822 9880 1 15 . 1 1 77 77 SER N N 77 118.405 118.405 117.177 1.228 17822 9881 1 15 . 1 1 77 77 SER HA H 77 4.173 4.173 4.308 -0.135 17822 9882 1 15 . 1 1 77 77 SER CA C 77 62.482 62.482 61.171 1.311 17822 9883 1 15 . 1 1 77 77 SER CB C 77 63.484 63.484 62.811 0.673 17822 9884 1 15 . 1 1 77 77 SER H H 77 7.843 7.843 7.684 0.159 17822 9885 1 15 . 1 1 78 78 VAL N N 78 124.171 124.171 122.480 1.691 17822 9886 1 15 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.715 -0.142 17822 9887 1 15 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.473 0.251 17822 9888 1 15 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.848 -0.864 17822 9889 1 15 . 1 1 78 78 VAL H H 78 8.153 8.153 7.639 0.514 17822 9890 1 15 . 1 1 79 79 GLN N N 79 120.008 120.008 118.850 1.158 17822 9891 1 15 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.847 0.082 17822 9892 1 15 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.596 -0.210 17822 9893 1 15 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.461 0.318 17822 9894 1 15 . 1 1 79 79 GLN H H 79 8.688 8.688 8.670 0.018 17822 9895 1 15 . 1 1 80 80 GLN N N 80 116.870 116.870 117.880 -1.010 17822 9896 1 15 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.011 -0.236 17822 9897 1 15 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.177 -0.651 17822 9898 1 15 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.349 -0.372 17822 9899 1 15 . 1 1 80 80 GLN H H 80 7.850 7.850 7.787 0.063 17822 9900 1 15 . 1 1 81 81 ARG N N 81 119.074 119.074 118.991 0.083 17822 9901 1 15 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.115 -0.123 17822 9902 1 15 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.903 -2.269 17822 9903 1 15 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.951 -1.629 17822 9904 1 15 . 1 1 81 81 ARG H H 81 7.520 7.520 7.520 0.000 17822 9905 1 15 . 1 1 82 82 LEU N N 82 117.238 117.238 117.685 -0.447 17822 9906 1 15 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.285 -0.394 17822 9907 1 15 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.650 -0.213 17822 9908 1 15 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.269 -0.459 17822 9909 1 15 . 1 1 82 82 LEU H H 82 8.189 8.189 7.937 0.252 17822 9910 1 15 . 1 1 83 83 LYS N N 83 114.899 114.899 116.692 -1.793 17822 9911 1 15 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.085 -0.140 17822 9912 1 15 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.503 -0.837 17822 9913 1 15 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.120 -0.133 17822 9914 1 15 . 1 1 83 83 LYS H H 83 7.064 7.064 7.328 -0.264 17822 9915 1 15 . 1 1 84 84 LEU N N 84 117.840 117.840 118.006 -0.166 17822 9916 1 15 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.029 -0.156 17822 9917 1 15 . 1 1 84 84 LEU CA C 84 55.315 55.315 55.726 -0.411 17822 9918 1 15 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.619 -0.690 17822 9919 1 15 . 1 1 84 84 LEU H H 84 7.271 7.271 7.832 -0.561 17822 9920 1 15 . 1 1 85 85 TYR N N 85 119.720 119.720 116.643 3.077 17822 9921 1 15 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.606 -0.351 17822 9922 1 15 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.122 1.945 17822 9923 1 15 . 1 1 85 85 TYR CB C 85 39.068 39.068 36.688 2.380 17822 9924 1 15 . 1 1 85 85 TYR H H 85 7.633 7.633 7.066 0.567 17822 9925 1 15 . 1 1 86 86 ASN N N 86 119.638 119.638 119.114 0.524 17822 9926 1 15 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.504 -0.030 17822 9927 1 15 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.614 -0.732 17822 9928 1 15 . 1 1 86 86 ASN CB C 86 38.742 38.742 39.366 -0.624 17822 9929 1 15 . 1 1 86 86 ASN H H 86 8.622 8.622 8.476 0.146 17822 9930 1 15 . 1 1 87 87 LYS N N 87 116.321 116.321 117.751 -1.430 17822 9931 1 15 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.430 0.068 17822 9932 1 15 . 1 1 87 87 LYS CA C 87 54.169 54.169 55.524 -1.355 17822 9933 1 15 . 1 1 87 87 LYS CB C 87 34.673 34.673 34.533 0.140 17822 9934 1 15 . 1 1 87 87 LYS H H 87 7.631 7.631 7.713 -0.082 17822 9935 1 15 . 1 1 88 88 VAL N N 88 125.141 125.141 118.892 6.249 17822 9936 1 15 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.575 -0.953 17822 9937 1 15 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.641 3.325 17822 9938 1 15 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.531 0.757 17822 9939 1 15 . 1 1 88 88 VAL H H 88 8.357 8.357 8.311 0.046 17822 9940 1 15 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.691 -0.438 17822 9941 1 15 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.374 1.966 17822 9942 1 15 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.858 0.696 17822 9943 1 15 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.265 0.235 17822 9944 1 15 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.511 0.468 17822 9945 1 15 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.131 0.057 17822 9946 1 15 . 1 1 91 91 ASN N N 91 112.735 112.735 115.619 -2.884 17822 9947 1 15 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.433 0.222 17822 9948 1 15 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.971 -2.096 17822 9949 1 15 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.258 -0.815 17822 9950 1 15 . 1 1 91 91 ASN H H 91 9.163 9.163 8.197 0.966 17822 9951 1 15 . 1 1 92 92 GLY N N 92 108.893 108.893 105.241 3.652 17822 9952 1 15 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.596 -1.155 17822 9953 1 15 . 1 1 92 92 GLY H H 92 7.898 7.898 7.166 0.732 17822 9954 1 15 . 1 1 93 93 LEU N N 93 117.751 117.751 126.323 -8.572 17822 9955 1 15 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.297 0.027 17822 9956 1 15 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.218 -0.451 17822 9957 1 15 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.345 5.182 17822 9958 1 15 . 1 1 93 93 LEU H H 93 8.508 8.508 7.581 0.927 17822 9959 1 15 . 1 1 94 94 VAL N N 94 126.296 126.296 128.226 -1.930 17822 9960 1 15 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.739 -0.389 17822 9961 1 15 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.041 -0.566 17822 9962 1 15 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.521 -0.353 17822 9963 1 15 . 1 1 94 94 VAL H H 94 8.168 8.168 7.964 0.204 17822 9964 1 15 . 1 1 95 95 VAL N N 95 125.531 125.531 118.150 7.381 17822 9965 1 15 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.983 -0.843 17822 9966 1 15 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.886 0.417 17822 9967 1 15 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.200 0.995 17822 9968 1 15 . 1 1 95 95 VAL H H 95 8.744 8.744 8.347 0.397 17822 9969 1 15 . 1 1 96 96 TYR N N 96 123.577 123.577 124.155 -0.578 17822 9970 1 15 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.537 -0.205 17822 9971 1 15 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.954 0.623 17822 9972 1 15 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.402 0.218 17822 9973 1 15 . 1 1 96 96 TYR H H 96 8.698 8.698 9.168 -0.470 17822 9974 1 15 . 1 1 97 97 CYS N N 97 120.144 120.144 123.215 -3.071 17822 9975 1 15 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.727 -0.179 17822 9976 1 15 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.279 -0.702 17822 9977 1 15 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.216 1.570 17822 9978 1 15 . 1 1 97 97 CYS H H 97 8.796 8.796 8.251 0.545 17822 9979 1 15 . 1 1 98 98 GLY N N 98 112.534 112.534 114.496 -1.962 17822 9980 1 15 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.235 0.563 17822 9981 1 15 . 1 1 98 98 GLY H H 98 8.776 8.776 8.226 0.549 17822 9982 1 15 . 1 1 99 99 THR N N 99 119.083 119.083 116.773 2.310 17822 9983 1 15 . 1 1 99 99 THR HA H 99 4.821 4.821 5.421 -0.600 17822 9984 1 15 . 1 1 99 99 THR CA C 99 62.294 62.294 61.578 0.716 17822 9985 1 15 . 1 1 99 99 THR CB C 99 69.781 69.781 70.789 -1.008 17822 9986 1 15 . 1 1 99 99 THR H H 99 8.168 8.168 8.441 -0.273 17822 9987 1 15 . 1 1 100 100 ILE N N 100 122.250 122.250 123.040 -0.790 17822 9988 1 15 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.703 -0.126 17822 9989 1 15 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.500 0.083 17822 9990 1 15 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.500 0.009 17822 9991 1 15 . 1 1 100 100 ILE H H 100 8.838 8.838 8.640 0.198 17822 9992 1 15 . 1 1 101 101 VAL N N 101 120.622 120.622 124.309 -3.687 17822 9993 1 15 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.831 -0.181 17822 9994 1 15 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.193 1.397 17822 9995 1 15 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.862 -1.973 17822 9996 1 15 . 1 1 101 101 VAL H H 101 8.310 8.310 8.322 -0.012 17822 9997 1 15 . 1 1 102 102 THR N N 102 118.661 118.661 118.787 -0.126 17822 9998 1 15 . 1 1 102 102 THR HA H 102 4.658 4.658 4.777 -0.119 17822 9999 1 15 . 1 1 102 102 THR CA C 102 60.590 60.590 60.310 0.280 17822 10000 1 15 . 1 1 102 102 THR CB C 102 71.189 71.189 70.408 0.781 17822 10001 1 15 . 1 1 102 102 THR H H 102 8.867 8.867 8.114 0.753 17822 10002 1 15 . 1 1 103 103 GLU N N 103 121.906 121.906 120.810 1.096 17822 10003 1 15 . 1 1 103 103 GLU HA H 103 3.918 3.918 3.995 -0.077 17822 10004 1 15 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.850 0.077 17822 10005 1 15 . 1 1 103 103 GLU CB C 103 28.930 28.930 28.980 -0.050 17822 10006 1 15 . 1 1 103 103 GLU H H 103 9.243 9.243 8.898 0.345 17822 10007 1 15 . 1 1 104 104 GLU N N 104 116.013 116.013 120.114 -4.101 17822 10008 1 15 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.137 0.037 17822 10009 1 15 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.129 0.104 17822 10010 1 15 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.601 -0.134 17822 10011 1 15 . 1 1 104 104 GLU H H 104 7.716 7.716 7.742 -0.026 17822 10012 1 15 . 1 1 105 105 GLY N N 105 109.001 109.001 107.962 1.039 17822 10013 1 15 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.063 -0.358 17822 10014 1 15 . 1 1 105 105 GLY H H 105 8.045 8.045 8.190 -0.145 17822 10015 1 15 . 1 1 106 106 LYS N N 106 119.559 119.559 119.549 0.010 17822 10016 1 15 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.625 -0.294 17822 10017 1 15 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.364 0.091 17822 10018 1 15 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.270 0.152 17822 10019 1 15 . 1 1 106 106 LYS H H 106 6.924 6.924 7.658 -0.734 17822 10020 1 15 . 1 1 107 107 GLU N N 107 121.771 121.771 124.994 -3.223 17822 10021 1 15 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.291 0.663 17822 10022 1 15 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.844 -1.242 17822 10023 1 15 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.570 0.715 17822 10024 1 15 . 1 1 107 107 GLU H H 107 8.371 8.371 8.761 -0.390 17822 10025 1 15 . 1 1 108 108 LYS N N 108 125.216 125.216 121.686 3.530 17822 10026 1 15 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.423 0.017 17822 10027 1 15 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.487 -0.401 17822 10028 1 15 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.643 1.272 17822 10029 1 15 . 1 1 108 108 LYS H H 108 8.946 8.946 8.058 0.888 17822 10030 1 15 . 1 1 109 109 LYS N N 109 125.136 125.136 128.444 -3.308 17822 10031 1 15 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.487 0.149 17822 10032 1 15 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.382 -0.608 17822 10033 1 15 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.874 -0.074 17822 10034 1 15 . 1 1 109 109 LYS H H 109 8.548 8.548 8.558 -0.010 17822 10035 1 15 . 1 1 110 110 VAL N N 110 125.626 125.626 127.956 -2.330 17822 10036 1 15 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.098 -0.022 17822 10037 1 15 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.220 -0.656 17822 10038 1 15 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.576 1.316 17822 10039 1 15 . 1 1 110 110 VAL H H 110 8.850 8.850 9.057 -0.207 17822 10040 1 15 . 1 1 111 111 ASN N N 111 126.837 126.837 126.816 0.021 17822 10041 1 15 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.324 -0.036 17822 10042 1 15 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.514 0.795 17822 10043 1 15 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.382 0.087 17822 10044 1 15 . 1 1 111 111 ASN H H 111 8.711 8.711 8.510 0.201 17822 10045 1 15 . 1 1 112 112 ILE N N 112 125.729 125.729 123.350 2.379 17822 10046 1 15 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.463 -0.079 17822 10047 1 15 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.839 -0.650 17822 10048 1 15 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.846 0.006 17822 10049 1 15 . 1 1 112 112 ILE H H 112 8.931 8.931 8.529 0.402 17822 10050 1 15 . 1 1 113 113 ASP N N 113 122.734 122.734 123.503 -0.769 17822 10051 1 15 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.910 -0.120 17822 10052 1 15 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.495 -1.290 17822 10053 1 15 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.842 -0.321 17822 10054 1 15 . 1 1 113 113 ASP H H 113 8.116 8.116 8.485 -0.369 17822 10055 1 15 . 1 1 114 114 PHE N N 114 116.385 116.385 118.385 -2.000 17822 10056 1 15 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.677 0.026 17822 10057 1 15 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.705 -0.243 17822 10058 1 15 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.291 -0.584 17822 10059 1 15 . 1 1 114 114 PHE H H 114 8.613 8.613 8.116 0.497 17822 10060 1 15 . 1 1 115 115 GLU N N 115 124.642 124.642 120.485 4.157 17822 10061 1 15 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.545 0.248 17822 10062 1 15 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.358 -1.655 17822 10063 1 15 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.512 1.613 17822 10064 1 15 . 1 1 115 115 GLU H H 115 8.591 8.591 8.302 0.289 17822 10065 1 15 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.182 0.401 17822 10066 1 15 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.398 -0.047 17822 10067 1 15 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.132 -1.170 17822 10068 1 15 . 1 1 117 117 PHE N N 117 116.676 116.676 114.528 2.148 17822 10069 1 15 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.593 -0.399 17822 10070 1 15 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.236 0.403 17822 10071 1 15 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.194 -1.442 17822 10072 1 15 . 1 1 117 117 PHE H H 117 7.842 7.842 8.222 -0.380 17822 10073 1 15 . 1 1 118 118 LYS N N 118 118.589 118.589 119.551 -0.962 17822 10074 1 15 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.329 -0.146 17822 10075 1 15 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.558 -0.224 17822 10076 1 15 . 1 1 118 118 LYS CB C 118 34.193 34.193 31.949 2.244 17822 10077 1 15 . 1 1 118 118 LYS H H 118 6.889 6.889 7.169 -0.280 17822 10078 1 15 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.359 0.164 17822 10079 1 15 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.306 0.310 17822 10080 1 15 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.344 -0.172 17822 10081 1 15 . 1 1 120 120 ILE N N 120 121.968 121.968 122.962 -0.994 17822 10082 1 15 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.118 -0.212 17822 10083 1 15 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.957 1.461 17822 10084 1 15 . 1 1 120 120 ILE CB C 120 38.805 38.805 37.742 1.063 17822 10085 1 15 . 1 1 120 120 ILE H H 120 7.440 7.440 7.874 -0.434 17822 10086 1 15 . 1 1 121 121 ASN N N 121 120.951 120.951 127.428 -6.477 17822 10087 1 15 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.467 0.165 17822 10088 1 15 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.062 -1.180 17822 10089 1 15 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.529 0.769 17822 10090 1 15 . 1 1 121 121 ASN H H 121 8.112 8.112 8.638 -0.526 17822 10091 1 15 . 1 1 122 122 GLN N N 122 118.826 118.826 115.891 2.935 17822 10092 1 15 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.347 0.065 17822 10093 1 15 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.980 -0.582 17822 10094 1 15 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.414 1.072 17822 10095 1 15 . 1 1 122 122 GLN H H 122 7.009 7.009 7.595 -0.586 17822 10096 1 15 . 1 1 123 123 PHE N N 123 122.795 122.795 119.271 3.524 17822 10097 1 15 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.513 0.201 17822 10098 1 15 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.516 -1.309 17822 10099 1 15 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.725 0.993 17822 10100 1 15 . 1 1 123 123 PHE H H 123 8.335 8.335 8.665 -0.330 17822 10101 1 15 . 1 1 124 124 MET N N 124 126.990 126.990 126.861 0.129 17822 10102 1 15 . 1 1 124 124 MET HA H 124 3.984 3.984 4.454 -0.470 17822 10103 1 15 . 1 1 124 124 MET CA C 124 54.799 54.799 54.158 0.641 17822 10104 1 15 . 1 1 124 124 MET CB C 124 37.330 37.330 36.017 1.313 17822 10105 1 15 . 1 1 124 124 MET H H 124 7.992 7.992 8.482 -0.490 17822 10106 1 15 . 1 1 125 125 TYR N N 125 122.216 122.216 124.957 -2.741 17822 10107 1 15 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.520 0.384 17822 10108 1 15 . 1 1 125 125 TYR CA C 125 56.749 56.749 56.598 0.151 17822 10109 1 15 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.866 0.287 17822 10110 1 15 . 1 1 125 125 TYR H H 125 7.552 7.552 8.100 -0.548 17822 10111 1 15 . 1 1 126 126 PHE N N 126 124.584 124.584 118.447 6.137 17822 10112 1 15 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.796 -0.721 17822 10113 1 15 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.529 0.876 17822 10114 1 15 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.410 4.008 17822 10115 1 15 . 1 1 126 126 PHE H H 126 8.271 8.271 6.969 1.302 17822 10116 1 15 . 1 1 127 127 CYS N N 127 124.011 124.011 119.448 4.563 17822 10117 1 15 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.512 0.284 17822 10118 1 15 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.481 0.359 17822 10119 1 15 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.558 -4.627 17822 10120 1 15 . 1 1 127 127 CYS H H 127 8.442 8.442 9.108 -0.666 17822 10121 1 15 . 1 1 128 128 ASP N N 128 127.486 127.486 121.714 5.772 17822 10122 1 15 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.561 0.445 17822 10123 1 15 . 1 1 128 128 ASP CA C 128 52.506 52.506 55.035 -2.529 17822 10124 1 15 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.606 2.789 17822 10125 1 15 . 1 1 128 128 ASP H H 128 8.907 8.907 8.360 0.547 17822 10126 1 15 . 1 1 129 129 ASN N N 129 119.092 119.092 120.866 -1.774 17822 10127 1 15 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.346 0.318 17822 10128 1 15 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.020 -1.285 17822 10129 1 15 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.443 0.459 17822 10130 1 15 . 1 1 129 129 ASN H H 129 9.136 9.136 8.480 0.656 17822 10131 1 15 . 1 1 130 130 LYS N N 130 114.367 114.367 114.266 0.101 17822 10132 1 15 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.370 -0.207 17822 10133 1 15 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.535 -1.308 17822 10134 1 15 . 1 1 130 130 LYS CB C 130 34.092 34.092 33.918 0.174 17822 10135 1 15 . 1 1 130 130 LYS H H 130 7.115 7.115 7.179 -0.064 17822 10136 1 15 . 1 1 131 131 PHE N N 131 121.117 121.117 120.598 0.519 17822 10137 1 15 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.652 -0.137 17822 10138 1 15 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.429 -1.279 17822 10139 1 15 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.461 -1.372 17822 10140 1 15 . 1 1 131 131 PHE H H 131 9.291 9.291 8.691 0.600 17822 10141 1 15 . 1 1 132 132 HIS N N 132 121.897 121.897 123.578 -1.681 17822 10142 1 15 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.847 -0.464 17822 10143 1 15 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.584 0.419 17822 10144 1 15 . 1 1 132 132 HIS CB C 132 28.343 28.343 31.461 -3.118 17822 10145 1 15 . 1 1 132 132 HIS H H 132 9.026 9.026 8.742 0.284 17822 10146 1 15 . 1 1 133 133 THR N N 133 117.915 117.915 117.173 0.742 17822 10147 1 15 . 1 1 133 133 THR HA H 133 4.612 4.612 4.750 -0.138 17822 10148 1 15 . 1 1 133 133 THR CA C 133 61.679 61.679 61.855 -0.176 17822 10149 1 15 . 1 1 133 133 THR CB C 133 73.856 73.856 70.058 3.797 17822 10150 1 15 . 1 1 133 133 THR H H 133 8.700 8.700 8.662 0.038 17822 10151 1 15 . 1 1 134 134 GLU N N 134 129.072 129.072 127.881 1.191 17822 10152 1 15 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.349 -0.370 17822 10153 1 15 . 1 1 134 134 GLU CA C 134 60.533 60.533 58.641 1.892 17822 10154 1 15 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.644 -2.141 17822 10155 1 15 . 1 1 134 134 GLU H H 134 10.805 10.805 8.971 1.834 17822 10156 1 15 . 1 1 135 135 ALA N N 135 122.099 122.099 121.153 0.946 17822 10157 1 15 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.087 -0.016 17822 10158 1 15 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.882 -0.369 17822 10159 1 15 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.880 0.881 17822 10160 1 15 . 1 1 135 135 ALA H H 135 8.590 8.590 8.399 0.191 17822 10161 1 15 . 1 1 136 136 LEU N N 136 116.720 116.720 116.904 -0.184 17822 10162 1 15 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.162 -0.108 17822 10163 1 15 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.633 -1.056 17822 10164 1 15 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.666 -0.355 17822 10165 1 15 . 1 1 136 136 LEU H H 136 7.471 7.471 7.789 -0.318 17822 10166 1 15 . 1 1 137 137 THR N N 137 117.177 117.177 113.484 3.693 17822 10167 1 15 . 1 1 137 137 THR HA H 137 4.005 4.005 4.042 -0.037 17822 10168 1 15 . 1 1 137 137 THR CA C 137 66.610 66.610 65.572 1.038 17822 10169 1 15 . 1 1 137 137 THR CB C 137 67.980 67.980 69.026 -1.046 17822 10170 1 15 . 1 1 137 137 THR H H 137 8.044 8.044 7.630 0.414 17822 10171 1 15 . 1 1 138 138 ALA N N 138 124.719 124.719 123.057 1.662 17822 10172 1 15 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.198 -0.197 17822 10173 1 15 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.418 0.496 17822 10174 1 15 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.929 -1.432 17822 10175 1 15 . 1 1 138 138 ALA H H 138 7.695 7.695 8.306 -0.611 17822 10176 1 15 . 1 1 139 139 LEU N N 139 120.059 120.059 120.816 -0.757 17822 10177 1 15 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.175 -0.176 17822 10178 1 15 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.883 -0.389 17822 10179 1 15 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.764 1.048 17822 10180 1 15 . 1 1 139 139 LEU H H 139 7.345 7.345 7.642 -0.297 17822 10181 1 15 . 1 1 140 140 LEU N N 140 117.771 117.771 118.113 -0.342 17822 10182 1 15 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.034 -0.077 17822 10183 1 15 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.327 -1.349 17822 10184 1 15 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.831 -0.592 17822 10185 1 15 . 1 1 140 140 LEU H H 140 7.748 7.748 7.906 -0.158 17822 10186 1 15 . 1 1 141 141 SER N N 141 114.778 114.778 112.603 2.175 17822 10187 1 15 . 1 1 141 141 SER HA H 141 4.107 4.107 4.325 -0.218 17822 10188 1 15 . 1 1 141 141 SER CA C 141 60.647 60.647 60.524 0.123 17822 10189 1 15 . 1 1 141 141 SER CB C 141 62.650 62.650 63.166 -0.516 17822 10190 1 15 . 1 1 141 141 SER H H 141 7.807 7.807 7.549 0.258 17822 10191 1 15 . 1 1 142 142 ASP N N 142 121.827 121.827 122.387 -0.560 17822 10192 1 15 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.549 -0.191 17822 10193 1 15 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.462 -0.400 17822 10194 1 15 . 1 1 142 142 ASP CB C 142 40.609 40.609 40.683 -0.074 17822 10195 1 15 . 1 1 142 142 ASP H H 142 7.878 7.878 8.234 -0.356 17822 10196 1 15 . 1 1 143 143 LEU N N 143 120.220 120.220 119.684 0.536 17822 10197 1 15 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.100 -0.128 17822 10198 1 15 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.815 -0.353 17822 10199 1 15 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.336 -0.122 17822 10200 1 15 . 1 1 143 143 LEU H H 143 7.846 7.846 8.155 -0.309 17822 10201 1 16 . 1 1 2 2 ALA N N 2 125.964 125.964 125.912 0.052 17822 10202 1 16 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.663 -0.051 17822 10203 1 16 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.125 0.167 17822 10204 1 16 . 1 1 2 2 ALA H H 2 8.065 8.065 8.187 -0.122 17822 10205 1 16 . 1 1 3 3 ASP N N 3 119.188 119.188 120.336 -1.148 17822 10206 1 16 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.732 -0.122 17822 10207 1 16 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.955 -0.072 17822 10208 1 16 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.204 -0.394 17822 10209 1 16 . 1 1 3 3 ASP H H 3 8.203 8.203 8.674 -0.471 17822 10210 1 16 . 1 1 4 4 ASP N N 4 121.607 121.607 119.416 2.191 17822 10211 1 16 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.860 -0.488 17822 10212 1 16 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.749 0.012 17822 10213 1 16 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.034 -1.124 17822 10214 1 16 . 1 1 4 4 ASP H H 4 7.954 7.954 7.857 0.097 17822 10215 1 16 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.405 -0.153 17822 10216 1 16 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.532 -1.165 17822 10217 1 16 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.172 -0.313 17822 10218 1 16 . 1 1 6 6 SER N N 6 115.864 115.864 115.149 0.715 17822 10219 1 16 . 1 1 6 6 SER HA H 6 4.252 4.252 4.313 -0.061 17822 10220 1 16 . 1 1 6 6 SER CA C 6 58.870 58.870 59.673 -0.803 17822 10221 1 16 . 1 1 6 6 SER CB C 6 63.368 63.368 62.925 0.443 17822 10222 1 16 . 1 1 6 6 SER H H 6 8.310 8.310 8.446 -0.136 17822 10223 1 16 . 1 1 7 7 ALA N N 7 125.955 125.955 123.050 2.905 17822 10224 1 16 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.255 -0.256 17822 10225 1 16 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.896 -0.587 17822 10226 1 16 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.316 0.235 17822 10227 1 16 . 1 1 7 7 ALA H H 7 7.854 7.854 8.275 -0.421 17822 10228 1 16 . 1 1 8 8 ALA N N 8 122.354 122.354 121.922 0.432 17822 10229 1 16 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.028 -0.231 17822 10230 1 16 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.089 -1.494 17822 10231 1 16 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.352 0.100 17822 10232 1 16 . 1 1 8 8 ALA H H 8 7.910 7.910 7.729 0.181 17822 10233 1 16 . 1 1 9 9 ASP N N 9 119.431 119.431 116.991 2.440 17822 10234 1 16 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.407 -0.088 17822 10235 1 16 . 1 1 9 9 ASP CA C 9 55.143 55.143 56.787 -1.644 17822 10236 1 16 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.531 0.092 17822 10237 1 16 . 1 1 9 9 ASP H H 9 7.970 7.970 7.949 0.021 17822 10238 1 16 . 1 1 10 10 ARG N N 10 122.263 122.263 121.119 1.144 17822 10239 1 16 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.299 -0.463 17822 10240 1 16 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.034 -1.253 17822 10241 1 16 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.610 -0.729 17822 10242 1 16 . 1 1 10 10 ARG H H 10 8.036 8.036 7.973 0.063 17822 10243 1 16 . 1 1 11 11 ASN N N 11 118.325 118.325 117.530 0.795 17822 10244 1 16 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.446 -0.143 17822 10245 1 16 . 1 1 11 11 ASN CA C 11 55.143 55.143 56.007 -0.864 17822 10246 1 16 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.362 -0.560 17822 10247 1 16 . 1 1 11 11 ASN H H 11 8.077 8.077 7.751 0.326 17822 10248 1 16 . 1 1 12 12 VAL N N 12 122.103 122.103 120.831 1.272 17822 10249 1 16 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.686 0.929 17822 10250 1 16 . 1 1 12 12 VAL CA C 12 65.621 65.621 65.752 -0.131 17822 10251 1 16 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.219 0.267 17822 10252 1 16 . 1 1 12 12 VAL H H 12 7.741 7.741 7.690 0.051 17822 10253 1 16 . 1 1 13 13 GLU N N 13 120.785 120.785 119.989 0.796 17822 10254 1 16 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.931 -0.697 17822 10255 1 16 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.331 5.730 17822 10256 1 16 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.897 0.871 17822 10257 1 16 . 1 1 13 13 GLU H H 13 7.751 7.751 7.675 0.076 17822 10258 1 16 . 1 1 14 14 ILE N N 14 120.199 120.199 120.252 -0.053 17822 10259 1 16 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.379 0.409 17822 10260 1 16 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.512 -5.330 17822 10261 1 16 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.291 -1.297 17822 10262 1 16 . 1 1 14 14 ILE H H 14 7.650 7.650 7.149 0.501 17822 10263 1 16 . 1 1 15 15 TRP N N 15 120.828 120.828 117.599 3.229 17822 10264 1 16 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.599 -0.546 17822 10265 1 16 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.567 3.023 17822 10266 1 16 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.679 -0.235 17822 10267 1 16 . 1 1 15 15 TRP H H 15 7.759 7.759 7.118 0.641 17822 10268 1 16 . 1 1 16 16 LYS N N 16 119.063 119.063 122.275 -3.212 17822 10269 1 16 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.154 -0.664 17822 10270 1 16 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.123 1.846 17822 10271 1 16 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.991 0.187 17822 10272 1 16 . 1 1 16 16 LYS H H 16 7.963 7.963 7.719 0.244 17822 10273 1 16 . 1 1 17 17 ILE N N 17 120.609 120.609 119.450 1.159 17822 10274 1 16 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.827 -0.216 17822 10275 1 16 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.593 -1.137 17822 10276 1 16 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.508 -1.210 17822 10277 1 16 . 1 1 17 17 ILE H H 17 7.630 7.630 8.467 -0.837 17822 10278 1 16 . 1 1 18 18 LYS N N 18 121.687 121.687 118.887 2.800 17822 10279 1 16 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.017 -0.434 17822 10280 1 16 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.510 1.420 17822 10281 1 16 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.552 0.530 17822 10282 1 16 . 1 1 18 18 LYS H H 18 8.297 8.297 7.780 0.517 17822 10283 1 16 . 1 1 19 19 LYS N N 19 119.253 119.253 118.522 0.731 17822 10284 1 16 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.141 -0.524 17822 10285 1 16 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.574 0.411 17822 10286 1 16 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.339 -0.480 17822 10287 1 16 . 1 1 19 19 LYS H H 19 7.685 7.685 7.696 -0.011 17822 10288 1 16 . 1 1 20 20 LEU N N 20 123.001 123.001 121.588 1.413 17822 10289 1 16 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.073 -0.248 17822 10290 1 16 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.664 0.117 17822 10291 1 16 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.807 -0.397 17822 10292 1 16 . 1 1 20 20 LEU H H 20 7.509 7.509 7.230 0.279 17822 10293 1 16 . 1 1 21 21 ILE N N 21 119.392 119.392 119.727 -0.335 17822 10294 1 16 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.777 -0.707 17822 10295 1 16 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.497 2.998 17822 10296 1 16 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.042 1.161 17822 10297 1 16 . 1 1 21 21 ILE H H 21 8.474 8.474 8.297 0.177 17822 10298 1 16 . 1 1 22 22 LYS N N 22 117.524 117.524 118.690 -1.166 17822 10299 1 16 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.079 -0.273 17822 10300 1 16 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.646 0.167 17822 10301 1 16 . 1 1 22 22 LYS CB C 22 31.887 31.887 31.976 -0.089 17822 10302 1 16 . 1 1 22 22 LYS H H 22 7.300 7.300 7.582 -0.282 17822 10303 1 16 . 1 1 23 23 SER N N 23 114.880 114.880 114.232 0.648 17822 10304 1 16 . 1 1 23 23 SER HA H 23 4.008 4.008 4.305 -0.297 17822 10305 1 16 . 1 1 23 23 SER CA C 23 61.106 61.106 60.541 0.565 17822 10306 1 16 . 1 1 23 23 SER CB C 23 62.587 62.587 63.654 -1.067 17822 10307 1 16 . 1 1 23 23 SER H H 23 7.653 7.653 7.440 0.213 17822 10308 1 16 . 1 1 24 24 LEU N N 24 121.607 121.607 123.816 -2.209 17822 10309 1 16 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.412 0.460 17822 10310 1 16 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.638 -0.775 17822 10311 1 16 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.350 -0.061 17822 10312 1 16 . 1 1 24 24 LEU H H 24 8.158 8.158 7.939 0.219 17822 10313 1 16 . 1 1 25 25 GLU N N 25 119.392 119.392 117.402 1.990 17822 10314 1 16 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.188 -0.307 17822 10315 1 16 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.510 0.073 17822 10316 1 16 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.440 -0.260 17822 10317 1 16 . 1 1 25 25 GLU H H 25 8.344 8.344 7.768 0.576 17822 10318 1 16 . 1 1 26 26 ALA N N 26 119.228 119.228 120.328 -1.100 17822 10319 1 16 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.398 -0.281 17822 10320 1 16 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.371 0.619 17822 10321 1 16 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.315 -0.362 17822 10322 1 16 . 1 1 26 26 ALA H H 26 7.154 7.154 7.441 -0.287 17822 10323 1 16 . 1 1 27 27 ALA N N 27 121.417 121.417 123.506 -2.089 17822 10324 1 16 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.470 -0.400 17822 10325 1 16 . 1 1 27 27 ALA CA C 27 52.468 52.468 52.284 0.184 17822 10326 1 16 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.965 -0.662 17822 10327 1 16 . 1 1 27 27 ALA H H 27 6.833 6.833 7.589 -0.756 17822 10328 1 16 . 1 1 28 28 ARG N N 28 123.986 123.986 121.207 2.779 17822 10329 1 16 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.574 -0.078 17822 10330 1 16 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.198 -1.029 17822 10331 1 16 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.707 0.254 17822 10332 1 16 . 1 1 28 28 ARG H H 28 8.679 8.679 8.348 0.331 17822 10333 1 16 . 1 1 29 29 GLY N N 29 109.466 109.466 109.167 0.299 17822 10334 1 16 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.877 -0.487 17822 10335 1 16 . 1 1 29 29 GLY H H 29 8.091 8.091 8.236 -0.145 17822 10336 1 16 . 1 1 30 30 ASN N N 30 120.048 120.048 116.651 3.397 17822 10337 1 16 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.593 0.062 17822 10338 1 16 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.102 -1.472 17822 10339 1 16 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.119 -1.317 17822 10340 1 16 . 1 1 30 30 ASN H H 30 8.419 8.419 8.576 -0.157 17822 10341 1 16 . 1 1 31 31 GLY N N 31 110.450 110.450 105.777 4.673 17822 10342 1 16 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.618 -0.932 17822 10343 1 16 . 1 1 31 31 GLY H H 31 8.071 8.071 8.578 -0.507 17822 10344 1 16 . 1 1 32 32 THR N N 32 112.929 112.929 114.970 -2.041 17822 10345 1 16 . 1 1 32 32 THR HA H 32 4.993 4.993 4.671 0.322 17822 10346 1 16 . 1 1 32 32 THR CA C 32 59.598 59.598 59.625 -0.027 17822 10347 1 16 . 1 1 32 32 THR H H 32 7.747 7.747 7.640 0.107 17822 10348 1 16 . 1 1 33 33 SER N N 33 115.208 115.208 116.486 -1.278 17822 10349 1 16 . 1 1 33 33 SER HA H 33 4.335 4.335 4.753 -0.418 17822 10350 1 16 . 1 1 33 33 SER CA C 33 58.067 58.067 57.221 0.846 17822 10351 1 16 . 1 1 33 33 SER CB C 33 64.572 64.572 64.110 0.462 17822 10352 1 16 . 1 1 33 33 SER H H 33 7.701 7.701 8.394 -0.693 17822 10353 1 16 . 1 1 34 34 MET N N 34 120.869 120.869 124.492 -3.623 17822 10354 1 16 . 1 1 34 34 MET HA H 34 4.666 4.666 4.696 -0.030 17822 10355 1 16 . 1 1 34 34 MET CA C 34 54.799 54.799 54.607 0.192 17822 10356 1 16 . 1 1 34 34 MET CB C 34 34.700 34.700 34.216 0.484 17822 10357 1 16 . 1 1 34 34 MET H H 34 8.679 8.679 8.410 0.269 17822 10358 1 16 . 1 1 35 35 ILE N N 35 126.806 126.806 120.623 6.183 17822 10359 1 16 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.082 2.088 17822 10360 1 16 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.851 0.051 17822 10361 1 16 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.794 -1.121 17822 10362 1 16 . 1 1 35 35 ILE H H 35 9.562 9.562 8.358 1.204 17822 10363 1 16 . 1 1 36 36 SER N N 36 122.217 122.217 123.790 -1.573 17822 10364 1 16 . 1 1 36 36 SER HA H 36 4.968 4.968 5.121 -0.153 17822 10365 1 16 . 1 1 36 36 SER CA C 36 56.602 56.602 57.096 -0.494 17822 10366 1 16 . 1 1 36 36 SER CB C 36 64.572 64.572 64.630 -0.058 17822 10367 1 16 . 1 1 36 36 SER H H 36 8.422 8.422 8.095 0.327 17822 10368 1 16 . 1 1 37 37 LEU N N 37 128.938 128.938 124.082 4.856 17822 10369 1 16 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.786 0.195 17822 10370 1 16 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.690 0.791 17822 10371 1 16 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.589 -0.213 17822 10372 1 16 . 1 1 37 37 LEU H H 37 8.916 8.916 7.656 1.260 17822 10373 1 16 . 1 1 38 38 ILE N N 38 128.296 128.296 115.048 13.248 17822 10374 1 16 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.929 0.043 17822 10375 1 16 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.768 0.077 17822 10376 1 16 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.013 -2.008 17822 10377 1 16 . 1 1 38 38 ILE H H 38 8.740 8.740 8.451 0.289 17822 10378 1 16 . 1 1 39 39 ILE N N 39 125.429 125.429 123.937 1.492 17822 10379 1 16 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.613 -0.214 17822 10380 1 16 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.521 -0.798 17822 10381 1 16 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.465 2.196 17822 10382 1 16 . 1 1 39 39 ILE H H 39 8.960 8.960 8.061 0.899 17822 10383 1 16 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.782 -0.375 17822 10384 1 16 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.462 5.720 17822 10385 1 16 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.195 0.177 17822 10386 1 16 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.525 -0.704 17822 10387 1 16 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.377 3.438 17822 10388 1 16 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.794 0.383 17822 10389 1 16 . 1 1 42 42 LYS N N 42 113.683 113.683 117.649 -3.966 17822 10390 1 16 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.418 -0.462 17822 10391 1 16 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.812 0.994 17822 10392 1 16 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.980 -1.798 17822 10393 1 16 . 1 1 42 42 LYS H H 42 8.004 8.004 8.353 -0.349 17822 10394 1 16 . 1 1 43 43 ASP N N 43 121.628 121.628 117.999 3.629 17822 10395 1 16 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.762 -0.327 17822 10396 1 16 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.966 -0.460 17822 10397 1 16 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.717 -1.502 17822 10398 1 16 . 1 1 43 43 ASP H H 43 7.290 7.290 7.461 -0.171 17822 10399 1 16 . 1 1 44 44 GLN N N 44 117.587 117.587 118.171 -0.584 17822 10400 1 16 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.619 -0.082 17822 10401 1 16 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.443 -0.504 17822 10402 1 16 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.552 -0.008 17822 10403 1 16 . 1 1 44 44 GLN H H 44 9.610 9.610 8.430 1.180 17822 10404 1 16 . 1 1 45 45 ILE N N 45 126.939 126.939 121.772 5.167 17822 10405 1 16 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.725 -0.424 17822 10406 1 16 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.696 -0.412 17822 10407 1 16 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.231 -1.598 17822 10408 1 16 . 1 1 45 45 ILE H H 45 8.806 8.806 8.862 -0.056 17822 10409 1 16 . 1 1 46 46 SER N N 46 113.239 113.239 115.006 -1.767 17822 10410 1 16 . 1 1 46 46 SER HA H 46 3.931 3.931 4.217 -0.286 17822 10411 1 16 . 1 1 46 46 SER CA C 46 60.762 60.762 61.406 -0.644 17822 10412 1 16 . 1 1 46 46 SER CB C 46 61.464 61.464 62.693 -1.229 17822 10413 1 16 . 1 1 46 46 SER H H 46 8.476 8.476 8.425 0.051 17822 10414 1 16 . 1 1 47 47 ARG N N 47 124.530 124.530 122.048 2.482 17822 10415 1 16 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.034 -0.243 17822 10416 1 16 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.974 -0.047 17822 10417 1 16 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.852 0.731 17822 10418 1 16 . 1 1 47 47 ARG H H 47 6.731 6.731 7.776 -1.045 17822 10419 1 16 . 1 1 48 48 VAL N N 48 121.935 121.935 119.160 2.775 17822 10420 1 16 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.732 -0.585 17822 10421 1 16 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.724 -0.516 17822 10422 1 16 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.141 0.327 17822 10423 1 16 . 1 1 48 48 VAL H H 48 7.257 7.257 7.522 -0.265 17822 10424 1 16 . 1 1 49 49 ALA N N 49 122.345 122.345 119.895 2.450 17822 10425 1 16 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.027 -0.145 17822 10426 1 16 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.829 0.314 17822 10427 1 16 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.224 -0.574 17822 10428 1 16 . 1 1 49 49 ALA H H 49 8.864 8.864 7.750 1.114 17822 10429 1 16 . 1 1 50 50 LYS N N 50 120.376 120.376 119.904 0.472 17822 10430 1 16 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.166 -0.263 17822 10431 1 16 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.708 0.219 17822 10432 1 16 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.413 -0.826 17822 10433 1 16 . 1 1 50 50 LYS H H 50 7.380 7.380 7.780 -0.400 17822 10434 1 16 . 1 1 51 51 MET N N 51 121.641 121.641 118.086 3.555 17822 10435 1 16 . 1 1 51 51 MET HA H 51 3.935 3.935 4.182 -0.247 17822 10436 1 16 . 1 1 51 51 MET CA C 51 58.927 58.927 58.699 0.228 17822 10437 1 16 . 1 1 51 51 MET CB C 51 30.734 30.734 32.097 -1.363 17822 10438 1 16 . 1 1 51 51 MET H H 51 7.508 7.508 8.058 -0.550 17822 10439 1 16 . 1 1 52 52 LEU N N 52 120.125 120.125 120.048 0.077 17822 10440 1 16 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.235 -0.578 17822 10441 1 16 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.724 0.714 17822 10442 1 16 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.941 -0.387 17822 10443 1 16 . 1 1 52 52 LEU H H 52 8.203 8.203 7.735 0.468 17822 10444 1 16 . 1 1 53 53 ALA N N 53 123.639 123.639 122.086 1.553 17822 10445 1 16 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.889 0.056 17822 10446 1 16 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.395 -0.596 17822 10447 1 16 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.871 -0.622 17822 10448 1 16 . 1 1 53 53 ALA H H 53 7.775 7.775 7.624 0.151 17822 10449 1 16 . 1 1 54 54 ASP N N 54 123.165 123.165 118.258 4.907 17822 10450 1 16 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.424 -0.095 17822 10451 1 16 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.949 0.258 17822 10452 1 16 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.824 -1.719 17822 10453 1 16 . 1 1 54 54 ASP H H 54 8.156 8.156 7.743 0.413 17822 10454 1 16 . 1 1 55 55 GLU N N 55 122.017 122.017 119.314 2.703 17822 10455 1 16 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.063 -0.187 17822 10456 1 16 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.988 -0.405 17822 10457 1 16 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.429 -0.410 17822 10458 1 16 . 1 1 55 55 GLU H H 55 8.221 8.221 7.662 0.559 17822 10459 1 16 . 1 1 56 56 PHE N N 56 123.334 123.334 121.411 1.923 17822 10460 1 16 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.271 0.410 17822 10461 1 16 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.185 0.330 17822 10462 1 16 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.859 0.353 17822 10463 1 16 . 1 1 56 56 PHE H H 56 8.711 8.711 7.927 0.784 17822 10464 1 16 . 1 1 57 57 GLY N N 57 107.156 107.156 106.021 1.135 17822 10465 1 16 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.465 0.018 17822 10466 1 16 . 1 1 57 57 GLY H H 57 7.985 7.985 8.028 -0.043 17822 10467 1 16 . 1 1 58 58 THR N N 58 118.940 118.940 115.938 3.002 17822 10468 1 16 . 1 1 58 58 THR HA H 58 4.062 4.062 4.304 -0.242 17822 10469 1 16 . 1 1 58 58 THR CA C 58 65.406 65.406 64.764 0.642 17822 10470 1 16 . 1 1 58 58 THR CB C 58 68.408 68.408 68.710 -0.302 17822 10471 1 16 . 1 1 58 58 THR H H 58 7.992 7.992 7.601 0.391 17822 10472 1 16 . 1 1 59 59 ALA N N 59 126.365 126.365 125.179 1.186 17822 10473 1 16 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.028 -0.100 17822 10474 1 16 . 1 1 59 59 ALA CA C 59 53.939 53.939 55.013 -1.074 17822 10475 1 16 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.553 0.598 17822 10476 1 16 . 1 1 59 59 ALA H H 59 8.351 8.351 7.794 0.557 17822 10477 1 16 . 1 1 60 60 SER N N 60 112.435 112.435 112.307 0.128 17822 10478 1 16 . 1 1 60 60 SER HA H 60 4.632 4.632 4.173 0.459 17822 10479 1 16 . 1 1 60 60 SER CA C 60 61.220 61.220 60.092 1.128 17822 10480 1 16 . 1 1 60 60 SER CB C 60 62.686 62.686 62.730 -0.044 17822 10481 1 16 . 1 1 60 60 SER H H 60 7.459 7.459 7.707 -0.248 17822 10482 1 16 . 1 1 61 61 ASN N N 61 116.971 116.971 118.308 -1.337 17822 10483 1 16 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.677 -0.164 17822 10484 1 16 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.678 -0.656 17822 10485 1 16 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.960 0.045 17822 10486 1 16 . 1 1 61 61 ASN H H 61 7.372 7.372 7.657 -0.285 17822 10487 1 16 . 1 1 62 62 ILE N N 62 123.980 123.980 121.818 2.162 17822 10488 1 16 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.929 -0.293 17822 10489 1 16 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.202 1.226 17822 10490 1 16 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.059 -0.628 17822 10491 1 16 . 1 1 62 62 ILE H H 62 7.461 7.461 7.474 -0.013 17822 10492 1 16 . 1 1 63 63 LYS N N 63 128.982 128.982 127.406 1.576 17822 10493 1 16 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.116 -0.319 17822 10494 1 16 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.236 0.462 17822 10495 1 16 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.516 0.191 17822 10496 1 16 . 1 1 63 63 LYS H H 63 8.417 8.417 8.563 -0.146 17822 10497 1 16 . 1 1 64 64 SER N N 64 114.306 114.306 117.857 -3.551 17822 10498 1 16 . 1 1 64 64 SER HA H 64 4.616 4.616 4.539 0.077 17822 10499 1 16 . 1 1 64 64 SER CA C 64 56.749 56.749 57.790 -1.041 17822 10500 1 16 . 1 1 64 64 SER CB C 64 62.962 62.962 63.273 -0.311 17822 10501 1 16 . 1 1 64 64 SER H H 64 7.599 7.599 8.112 -0.513 17822 10502 1 16 . 1 1 65 65 ARG N N 65 132.125 132.125 128.312 3.813 17822 10503 1 16 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.918 0.388 17822 10504 1 16 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.705 0.197 17822 10505 1 16 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.898 3.200 17822 10506 1 16 . 1 1 65 65 ARG H H 65 8.689 8.689 8.853 -0.164 17822 10507 1 16 . 1 1 66 66 VAL N N 66 116.947 116.947 118.800 -1.853 17822 10508 1 16 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.488 0.063 17822 10509 1 16 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.708 -1.245 17822 10510 1 16 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.468 0.118 17822 10511 1 16 . 1 1 66 66 VAL H H 66 7.946 7.946 8.206 -0.260 17822 10512 1 16 . 1 1 67 67 ASN N N 67 119.499 119.499 116.808 2.691 17822 10513 1 16 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.369 0.043 17822 10514 1 16 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.159 -0.786 17822 10515 1 16 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.019 0.017 17822 10516 1 16 . 1 1 67 67 ASN H H 67 7.386 7.386 7.781 -0.395 17822 10517 1 16 . 1 1 68 68 ARG N N 68 122.132 122.132 121.622 0.510 17822 10518 1 16 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.925 -0.331 17822 10519 1 16 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.553 0.245 17822 10520 1 16 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.089 0.470 17822 10521 1 16 . 1 1 68 68 ARG H H 68 8.566 8.566 7.658 0.908 17822 10522 1 16 . 1 1 69 69 LEU N N 69 116.564 116.564 118.208 -1.644 17822 10523 1 16 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.187 -0.404 17822 10524 1 16 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.409 0.486 17822 10525 1 16 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.928 -0.319 17822 10526 1 16 . 1 1 69 69 LEU H H 69 8.167 8.167 8.674 -0.507 17822 10527 1 16 . 1 1 70 70 SER N N 70 116.805 116.805 113.925 2.880 17822 10528 1 16 . 1 1 70 70 SER HA H 70 4.132 4.132 4.284 -0.151 17822 10529 1 16 . 1 1 70 70 SER CA C 70 61.450 61.450 61.131 0.319 17822 10530 1 16 . 1 1 70 70 SER CB C 70 62.635 62.635 63.253 -0.618 17822 10531 1 16 . 1 1 70 70 SER H H 70 7.589 7.589 7.700 -0.111 17822 10532 1 16 . 1 1 71 71 VAL N N 71 124.991 124.991 123.792 1.199 17822 10533 1 16 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.982 -0.499 17822 10534 1 16 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.527 2.312 17822 10535 1 16 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.445 0.204 17822 10536 1 16 . 1 1 71 71 VAL H H 71 7.934 7.934 8.323 -0.389 17822 10537 1 16 . 1 1 72 72 LEU N N 72 118.680 118.680 119.793 -1.113 17822 10538 1 16 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.040 -0.319 17822 10539 1 16 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.954 0.285 17822 10540 1 16 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.846 -0.548 17822 10541 1 16 . 1 1 72 72 LEU H H 72 8.354 8.354 8.778 -0.424 17822 10542 1 16 . 1 1 73 73 GLY N N 73 106.674 106.674 106.142 0.532 17822 10543 1 16 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.268 -0.323 17822 10544 1 16 . 1 1 73 73 GLY H H 73 8.052 8.052 7.838 0.214 17822 10545 1 16 . 1 1 74 74 ALA N N 74 127.313 127.313 124.788 2.525 17822 10546 1 16 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.009 0.144 17822 10547 1 16 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.716 0.657 17822 10548 1 16 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.677 -0.871 17822 10549 1 16 . 1 1 74 74 ALA H H 74 7.784 7.784 7.401 0.383 17822 10550 1 16 . 1 1 75 75 ILE N N 75 119.310 119.310 119.267 0.043 17822 10551 1 16 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.609 -0.247 17822 10552 1 16 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.737 0.873 17822 10553 1 16 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.147 0.278 17822 10554 1 16 . 1 1 75 75 ILE H H 75 8.638 8.638 8.103 0.535 17822 10555 1 16 . 1 1 76 76 THR N N 76 116.205 116.205 112.213 3.992 17822 10556 1 16 . 1 1 76 76 THR HA H 76 4.227 4.227 4.010 0.217 17822 10557 1 16 . 1 1 76 76 THR CA C 76 66.782 66.782 66.794 -0.012 17822 10558 1 16 . 1 1 76 76 THR CB C 76 68.478 68.478 68.537 -0.059 17822 10559 1 16 . 1 1 76 76 THR H H 76 8.317 8.317 8.303 0.014 17822 10560 1 16 . 1 1 77 77 SER N N 77 118.405 118.405 117.855 0.550 17822 10561 1 16 . 1 1 77 77 SER HA H 77 4.173 4.173 4.200 -0.027 17822 10562 1 16 . 1 1 77 77 SER CA C 77 62.482 62.482 61.833 0.649 17822 10563 1 16 . 1 1 77 77 SER CB C 77 63.484 63.484 62.989 0.495 17822 10564 1 16 . 1 1 77 77 SER H H 77 7.843 7.843 7.296 0.547 17822 10565 1 16 . 1 1 78 78 VAL N N 78 124.171 124.171 122.690 1.481 17822 10566 1 16 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.686 -0.113 17822 10567 1 16 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.535 1.189 17822 10568 1 16 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.654 -0.670 17822 10569 1 16 . 1 1 78 78 VAL H H 78 8.153 8.153 8.499 -0.346 17822 10570 1 16 . 1 1 79 79 GLN N N 79 120.008 120.008 118.501 1.507 17822 10571 1 16 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.855 0.074 17822 10572 1 16 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.702 -0.316 17822 10573 1 16 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.456 0.323 17822 10574 1 16 . 1 1 79 79 GLN H H 79 8.688 8.688 8.559 0.129 17822 10575 1 16 . 1 1 80 80 GLN N N 80 116.870 116.870 118.017 -1.147 17822 10576 1 16 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.007 -0.232 17822 10577 1 16 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.978 -0.452 17822 10578 1 16 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.391 -0.414 17822 10579 1 16 . 1 1 80 80 GLN H H 80 7.850 7.850 7.692 0.158 17822 10580 1 16 . 1 1 81 81 ARG N N 81 119.074 119.074 119.672 -0.598 17822 10581 1 16 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.104 -0.112 17822 10582 1 16 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.741 -2.107 17822 10583 1 16 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.064 -1.742 17822 10584 1 16 . 1 1 81 81 ARG H H 81 7.520 7.520 7.419 0.101 17822 10585 1 16 . 1 1 82 82 LEU N N 82 117.238 117.238 118.146 -0.908 17822 10586 1 16 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.148 -0.257 17822 10587 1 16 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.300 -0.863 17822 10588 1 16 . 1 1 82 82 LEU CB C 82 40.810 40.810 40.984 -0.174 17822 10589 1 16 . 1 1 82 82 LEU H H 82 8.189 8.189 8.146 0.043 17822 10590 1 16 . 1 1 83 83 LYS N N 83 114.899 114.899 119.675 -4.776 17822 10591 1 16 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.090 -0.145 17822 10592 1 16 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.050 -1.384 17822 10593 1 16 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.991 -0.003 17822 10594 1 16 . 1 1 83 83 LYS H H 83 7.064 7.064 7.433 -0.369 17822 10595 1 16 . 1 1 84 84 LEU N N 84 117.840 117.840 119.640 -1.800 17822 10596 1 16 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.050 -0.177 17822 10597 1 16 . 1 1 84 84 LEU CA C 84 55.315 55.315 57.123 -1.808 17822 10598 1 16 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.052 -0.123 17822 10599 1 16 . 1 1 84 84 LEU H H 84 7.271 7.271 8.071 -0.800 17822 10600 1 16 . 1 1 85 85 TYR N N 85 119.720 119.720 116.712 3.008 17822 10601 1 16 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.385 -0.130 17822 10602 1 16 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.148 -1.081 17822 10603 1 16 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.787 0.281 17822 10604 1 16 . 1 1 85 85 TYR H H 85 7.633 7.633 7.456 0.177 17822 10605 1 16 . 1 1 86 86 ASN N N 86 119.638 119.638 115.094 4.544 17822 10606 1 16 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.389 0.085 17822 10607 1 16 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.556 -0.674 17822 10608 1 16 . 1 1 86 86 ASN CB C 86 38.742 38.742 37.979 0.763 17822 10609 1 16 . 1 1 86 86 ASN H H 86 8.622 8.622 8.566 0.056 17822 10610 1 16 . 1 1 87 87 LYS N N 87 116.321 116.321 118.523 -2.202 17822 10611 1 16 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.572 -0.074 17822 10612 1 16 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.722 -0.554 17822 10613 1 16 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.639 -0.966 17822 10614 1 16 . 1 1 87 87 LYS H H 87 7.631 7.631 7.803 -0.172 17822 10615 1 16 . 1 1 88 88 VAL N N 88 125.141 125.141 119.055 6.086 17822 10616 1 16 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.494 -0.872 17822 10617 1 16 . 1 1 88 88 VAL CA C 88 61.966 61.966 57.149 4.817 17822 10618 1 16 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.354 1.934 17822 10619 1 16 . 1 1 88 88 VAL H H 88 8.357 8.357 8.423 -0.066 17822 10620 1 16 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.757 -0.504 17822 10621 1 16 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.526 1.814 17822 10622 1 16 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.999 0.555 17822 10623 1 16 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.235 0.265 17822 10624 1 16 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.161 0.818 17822 10625 1 16 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.020 0.168 17822 10626 1 16 . 1 1 91 91 ASN N N 91 112.735 112.735 115.916 -3.181 17822 10627 1 16 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.607 0.048 17822 10628 1 16 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.173 -1.298 17822 10629 1 16 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.943 -0.500 17822 10630 1 16 . 1 1 91 91 ASN H H 91 9.163 9.163 8.410 0.753 17822 10631 1 16 . 1 1 92 92 GLY N N 92 108.893 108.893 105.430 3.463 17822 10632 1 16 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.644 -1.202 17822 10633 1 16 . 1 1 92 92 GLY H H 92 7.898 7.898 7.216 0.682 17822 10634 1 16 . 1 1 93 93 LEU N N 93 117.751 117.751 125.314 -7.563 17822 10635 1 16 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.361 -0.037 17822 10636 1 16 . 1 1 93 93 LEU CA C 93 53.767 53.767 53.757 0.010 17822 10637 1 16 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.291 5.236 17822 10638 1 16 . 1 1 93 93 LEU H H 93 8.508 8.508 7.586 0.922 17822 10639 1 16 . 1 1 94 94 VAL N N 94 126.296 126.296 128.576 -2.280 17822 10640 1 16 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.581 -0.231 17822 10641 1 16 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.278 -0.803 17822 10642 1 16 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.309 -0.140 17822 10643 1 16 . 1 1 94 94 VAL H H 94 8.168 8.168 7.851 0.317 17822 10644 1 16 . 1 1 95 95 VAL N N 95 125.531 125.531 118.416 7.115 17822 10645 1 16 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.058 -0.918 17822 10646 1 16 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.705 0.598 17822 10647 1 16 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.640 0.555 17822 10648 1 16 . 1 1 95 95 VAL H H 95 8.744 8.744 8.147 0.597 17822 10649 1 16 . 1 1 96 96 TYR N N 96 123.577 123.577 122.549 1.028 17822 10650 1 16 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.617 -0.285 17822 10651 1 16 . 1 1 96 96 TYR CA C 96 56.577 56.577 56.025 0.552 17822 10652 1 16 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.612 -0.993 17822 10653 1 16 . 1 1 96 96 TYR H H 96 8.698 8.698 9.141 -0.443 17822 10654 1 16 . 1 1 97 97 CYS N N 97 120.144 120.144 122.582 -2.438 17822 10655 1 16 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.753 -0.205 17822 10656 1 16 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.598 -1.021 17822 10657 1 16 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.712 1.074 17822 10658 1 16 . 1 1 97 97 CYS H H 97 8.796 8.796 8.523 0.273 17822 10659 1 16 . 1 1 98 98 GLY N N 98 112.534 112.534 112.904 -0.370 17822 10660 1 16 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.270 0.528 17822 10661 1 16 . 1 1 98 98 GLY H H 98 8.776 8.776 8.246 0.530 17822 10662 1 16 . 1 1 99 99 THR N N 99 119.083 119.083 115.860 3.223 17822 10663 1 16 . 1 1 99 99 THR HA H 99 4.821 4.821 5.473 -0.652 17822 10664 1 16 . 1 1 99 99 THR CA C 99 62.294 62.294 61.400 0.894 17822 10665 1 16 . 1 1 99 99 THR CB C 99 69.781 69.781 71.202 -1.421 17822 10666 1 16 . 1 1 99 99 THR H H 99 8.168 8.168 8.295 -0.127 17822 10667 1 16 . 1 1 100 100 ILE N N 100 122.250 122.250 123.968 -1.718 17822 10668 1 16 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.716 -0.139 17822 10669 1 16 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.894 -0.311 17822 10670 1 16 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.722 -0.213 17822 10671 1 16 . 1 1 100 100 ILE H H 100 8.838 8.838 8.432 0.406 17822 10672 1 16 . 1 1 101 101 VAL N N 101 120.622 120.622 124.211 -3.589 17822 10673 1 16 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.948 -0.298 17822 10674 1 16 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.605 0.985 17822 10675 1 16 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.902 -2.013 17822 10676 1 16 . 1 1 101 101 VAL H H 101 8.310 8.310 8.415 -0.105 17822 10677 1 16 . 1 1 102 102 THR N N 102 118.661 118.661 120.775 -2.114 17822 10678 1 16 . 1 1 102 102 THR HA H 102 4.658 4.658 4.697 -0.039 17822 10679 1 16 . 1 1 102 102 THR CA C 102 60.590 60.590 60.191 0.400 17822 10680 1 16 . 1 1 102 102 THR CB C 102 71.189 71.189 70.152 1.037 17822 10681 1 16 . 1 1 102 102 THR H H 102 8.867 8.867 8.092 0.775 17822 10682 1 16 . 1 1 103 103 GLU N N 103 121.906 121.906 121.271 0.635 17822 10683 1 16 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.056 -0.139 17822 10684 1 16 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.875 0.052 17822 10685 1 16 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.306 -0.376 17822 10686 1 16 . 1 1 103 103 GLU H H 103 9.243 9.243 8.819 0.424 17822 10687 1 16 . 1 1 104 104 GLU N N 104 116.013 116.013 119.153 -3.140 17822 10688 1 16 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.149 0.025 17822 10689 1 16 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.140 0.093 17822 10690 1 16 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.247 0.220 17822 10691 1 16 . 1 1 104 104 GLU H H 104 7.716 7.716 7.800 -0.084 17822 10692 1 16 . 1 1 105 105 GLY N N 105 109.001 109.001 107.666 1.335 17822 10693 1 16 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.286 -0.581 17822 10694 1 16 . 1 1 105 105 GLY H H 105 8.045 8.045 7.914 0.131 17822 10695 1 16 . 1 1 106 106 LYS N N 106 119.559 119.559 118.953 0.606 17822 10696 1 16 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.658 -0.327 17822 10697 1 16 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.448 0.007 17822 10698 1 16 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.799 -0.377 17822 10699 1 16 . 1 1 106 106 LYS H H 106 6.924 6.924 7.552 -0.628 17822 10700 1 16 . 1 1 107 107 GLU N N 107 121.771 121.771 124.132 -2.361 17822 10701 1 16 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.360 0.594 17822 10702 1 16 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.342 -0.740 17822 10703 1 16 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.808 0.477 17822 10704 1 16 . 1 1 107 107 GLU H H 107 8.371 8.371 8.743 -0.372 17822 10705 1 16 . 1 1 108 108 LYS N N 108 125.216 125.216 122.136 3.080 17822 10706 1 16 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.472 -0.032 17822 10707 1 16 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.112 -0.026 17822 10708 1 16 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.816 1.099 17822 10709 1 16 . 1 1 108 108 LYS H H 108 8.946 8.946 8.357 0.589 17822 10710 1 16 . 1 1 109 109 LYS N N 109 125.136 125.136 129.147 -4.011 17822 10711 1 16 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.438 0.198 17822 10712 1 16 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.511 -0.737 17822 10713 1 16 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.567 0.233 17822 10714 1 16 . 1 1 109 109 LYS H H 109 8.548 8.548 8.670 -0.122 17822 10715 1 16 . 1 1 110 110 VAL N N 110 125.626 125.626 128.438 -2.812 17822 10716 1 16 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.090 -0.014 17822 10717 1 16 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.359 -0.795 17822 10718 1 16 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.525 1.367 17822 10719 1 16 . 1 1 110 110 VAL H H 110 8.850 8.850 9.075 -0.225 17822 10720 1 16 . 1 1 111 111 ASN N N 111 126.837 126.837 126.263 0.574 17822 10721 1 16 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.445 -0.157 17822 10722 1 16 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.194 1.115 17822 10723 1 16 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.033 0.436 17822 10724 1 16 . 1 1 111 111 ASN H H 111 8.711 8.711 8.330 0.381 17822 10725 1 16 . 1 1 112 112 ILE N N 112 125.729 125.729 124.362 1.367 17822 10726 1 16 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.534 -0.149 17822 10727 1 16 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.030 -0.841 17822 10728 1 16 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.146 -0.294 17822 10729 1 16 . 1 1 112 112 ILE H H 112 8.931 8.931 8.551 0.380 17822 10730 1 16 . 1 1 113 113 ASP N N 113 122.734 122.734 123.403 -0.669 17822 10731 1 16 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.903 -0.113 17822 10732 1 16 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.540 -1.335 17822 10733 1 16 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.526 -0.005 17822 10734 1 16 . 1 1 113 113 ASP H H 113 8.116 8.116 8.457 -0.341 17822 10735 1 16 . 1 1 114 114 PHE N N 114 116.385 116.385 119.334 -2.949 17822 10736 1 16 . 1 1 114 114 PHE HA H 114 4.703 4.703 5.063 -0.360 17822 10737 1 16 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.574 -0.112 17822 10738 1 16 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.641 -0.934 17822 10739 1 16 . 1 1 114 114 PHE H H 114 8.613 8.613 8.295 0.318 17822 10740 1 16 . 1 1 115 115 GLU N N 115 124.642 124.642 121.376 3.266 17822 10741 1 16 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.654 0.139 17822 10742 1 16 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.114 -1.411 17822 10743 1 16 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.755 1.370 17822 10744 1 16 . 1 1 115 115 GLU H H 115 8.591 8.591 8.554 0.037 17822 10745 1 16 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.275 0.308 17822 10746 1 16 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.519 -0.168 17822 10747 1 16 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.283 -1.321 17822 10748 1 16 . 1 1 117 117 PHE N N 117 116.676 116.676 112.681 3.995 17822 10749 1 16 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.606 -0.412 17822 10750 1 16 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.301 1.338 17822 10751 1 16 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.335 -1.583 17822 10752 1 16 . 1 1 117 117 PHE H H 117 7.842 7.842 8.262 -0.420 17822 10753 1 16 . 1 1 118 118 LYS N N 118 118.589 118.589 119.841 -1.252 17822 10754 1 16 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.300 -0.117 17822 10755 1 16 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.303 0.031 17822 10756 1 16 . 1 1 118 118 LYS CB C 118 34.193 34.193 33.133 1.060 17822 10757 1 16 . 1 1 118 118 LYS H H 118 6.889 6.889 7.101 -0.212 17822 10758 1 16 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.527 -0.004 17822 10759 1 16 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.041 0.575 17822 10760 1 16 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.479 -0.307 17822 10761 1 16 . 1 1 120 120 ILE N N 120 121.968 121.968 121.324 0.644 17822 10762 1 16 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.220 -0.314 17822 10763 1 16 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.251 2.167 17822 10764 1 16 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.727 0.078 17822 10765 1 16 . 1 1 120 120 ILE H H 120 7.440 7.440 7.765 -0.325 17822 10766 1 16 . 1 1 121 121 ASN N N 121 120.951 120.951 127.161 -6.210 17822 10767 1 16 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.378 0.254 17822 10768 1 16 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.183 -1.301 17822 10769 1 16 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.607 0.691 17822 10770 1 16 . 1 1 121 121 ASN H H 121 8.112 8.112 8.757 -0.645 17822 10771 1 16 . 1 1 122 122 GLN N N 122 118.826 118.826 116.303 2.523 17822 10772 1 16 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.450 -0.038 17822 10773 1 16 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.969 -0.571 17822 10774 1 16 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.248 0.238 17822 10775 1 16 . 1 1 122 122 GLN H H 122 7.009 7.009 7.679 -0.670 17822 10776 1 16 . 1 1 123 123 PHE N N 123 122.795 122.795 119.293 3.502 17822 10777 1 16 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.450 0.264 17822 10778 1 16 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.786 -0.579 17822 10779 1 16 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.755 0.963 17822 10780 1 16 . 1 1 123 123 PHE H H 123 8.335 8.335 8.890 -0.555 17822 10781 1 16 . 1 1 124 124 MET N N 124 126.990 126.990 125.100 1.890 17822 10782 1 16 . 1 1 124 124 MET HA H 124 3.984 3.984 4.422 -0.438 17822 10783 1 16 . 1 1 124 124 MET CA C 124 54.799 54.799 54.145 0.654 17822 10784 1 16 . 1 1 124 124 MET CB C 124 37.330 37.330 36.305 1.025 17822 10785 1 16 . 1 1 124 124 MET H H 124 7.992 7.992 8.762 -0.770 17822 10786 1 16 . 1 1 125 125 TYR N N 125 122.216 122.216 120.733 1.483 17822 10787 1 16 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.619 0.285 17822 10788 1 16 . 1 1 125 125 TYR CA C 125 56.749 56.749 56.404 0.345 17822 10789 1 16 . 1 1 125 125 TYR CB C 125 41.153 41.153 41.277 -0.124 17822 10790 1 16 . 1 1 125 125 TYR H H 125 7.552 7.552 8.150 -0.598 17822 10791 1 16 . 1 1 126 126 PHE N N 126 124.584 124.584 119.314 5.270 17822 10792 1 16 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.685 -0.610 17822 10793 1 16 . 1 1 126 126 PHE CA C 126 56.405 56.405 56.105 0.300 17822 10794 1 16 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.276 4.143 17822 10795 1 16 . 1 1 126 126 PHE H H 126 8.271 8.271 7.102 1.169 17822 10796 1 16 . 1 1 127 127 CYS N N 127 124.011 124.011 120.116 3.895 17822 10797 1 16 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.536 0.260 17822 10798 1 16 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.639 0.201 17822 10799 1 16 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.229 -4.298 17822 10800 1 16 . 1 1 127 127 CYS H H 127 8.442 8.442 8.721 -0.279 17822 10801 1 16 . 1 1 128 128 ASP N N 128 127.486 127.486 123.335 4.151 17822 10802 1 16 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.574 0.432 17822 10803 1 16 . 1 1 128 128 ASP CA C 128 52.506 52.506 55.263 -2.757 17822 10804 1 16 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.189 3.207 17822 10805 1 16 . 1 1 128 128 ASP H H 128 8.907 8.907 8.523 0.384 17822 10806 1 16 . 1 1 129 129 ASN N N 129 119.092 119.092 115.202 3.890 17822 10807 1 16 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.367 0.297 17822 10808 1 16 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.656 -1.921 17822 10809 1 16 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.361 0.541 17822 10810 1 16 . 1 1 129 129 ASN H H 129 9.136 9.136 8.850 0.286 17822 10811 1 16 . 1 1 130 130 LYS N N 130 114.367 114.367 118.046 -3.679 17822 10812 1 16 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.525 -0.362 17822 10813 1 16 . 1 1 130 130 LYS CA C 130 54.226 54.226 54.744 -0.518 17822 10814 1 16 . 1 1 130 130 LYS CB C 130 34.092 34.092 35.078 -0.986 17822 10815 1 16 . 1 1 130 130 LYS H H 130 7.115 7.115 7.136 -0.021 17822 10816 1 16 . 1 1 131 131 PHE N N 131 121.117 121.117 121.754 -0.637 17822 10817 1 16 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.407 0.108 17822 10818 1 16 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.381 -2.231 17822 10819 1 16 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.754 -0.665 17822 10820 1 16 . 1 1 131 131 PHE H H 131 9.291 9.291 8.613 0.678 17822 10821 1 16 . 1 1 132 132 HIS N N 132 121.897 121.897 124.817 -2.920 17822 10822 1 16 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.901 -0.518 17822 10823 1 16 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.564 0.439 17822 10824 1 16 . 1 1 132 132 HIS CB C 132 28.343 28.343 31.467 -3.124 17822 10825 1 16 . 1 1 132 132 HIS H H 132 9.026 9.026 8.540 0.486 17822 10826 1 16 . 1 1 133 133 THR N N 133 117.915 117.915 116.072 1.843 17822 10827 1 16 . 1 1 133 133 THR HA H 133 4.612 4.612 4.749 -0.137 17822 10828 1 16 . 1 1 133 133 THR CA C 133 61.679 61.679 61.670 0.009 17822 10829 1 16 . 1 1 133 133 THR CB C 133 73.856 73.856 70.581 3.275 17822 10830 1 16 . 1 1 133 133 THR H H 133 8.700 8.700 8.455 0.245 17822 10831 1 16 . 1 1 134 134 GLU N N 134 129.072 129.072 128.059 1.013 17822 10832 1 16 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.196 -0.217 17822 10833 1 16 . 1 1 134 134 GLU CA C 134 60.533 60.533 58.999 1.534 17822 10834 1 16 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.451 -1.948 17822 10835 1 16 . 1 1 134 134 GLU H H 134 10.805 10.805 8.809 1.996 17822 10836 1 16 . 1 1 135 135 ALA N N 135 122.099 122.099 122.324 -0.225 17822 10837 1 16 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.118 -0.047 17822 10838 1 16 . 1 1 135 135 ALA CA C 135 54.513 54.513 54.733 -0.220 17822 10839 1 16 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.810 0.951 17822 10840 1 16 . 1 1 135 135 ALA H H 135 8.590 8.590 8.667 -0.077 17822 10841 1 16 . 1 1 136 136 LEU N N 136 116.720 116.720 117.040 -0.320 17822 10842 1 16 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.178 -0.124 17822 10843 1 16 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.608 -1.031 17822 10844 1 16 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.706 -0.395 17822 10845 1 16 . 1 1 136 136 LEU H H 136 7.471 7.471 7.782 -0.311 17822 10846 1 16 . 1 1 137 137 THR N N 137 117.177 117.177 113.458 3.719 17822 10847 1 16 . 1 1 137 137 THR HA H 137 4.005 4.005 4.012 -0.007 17822 10848 1 16 . 1 1 137 137 THR CA C 137 66.610 66.610 65.855 0.755 17822 10849 1 16 . 1 1 137 137 THR CB C 137 67.980 67.980 68.971 -0.991 17822 10850 1 16 . 1 1 137 137 THR H H 137 8.044 8.044 7.654 0.390 17822 10851 1 16 . 1 1 138 138 ALA N N 138 124.719 124.719 123.686 1.033 17822 10852 1 16 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.191 -0.190 17822 10853 1 16 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.729 0.185 17822 10854 1 16 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.757 -1.260 17822 10855 1 16 . 1 1 138 138 ALA H H 138 7.695 7.695 8.464 -0.769 17822 10856 1 16 . 1 1 139 139 LEU N N 139 120.059 120.059 120.254 -0.195 17822 10857 1 16 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.007 -0.008 17822 10858 1 16 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.998 -0.504 17822 10859 1 16 . 1 1 139 139 LEU CB C 139 41.812 41.812 41.026 0.786 17822 10860 1 16 . 1 1 139 139 LEU H H 139 7.345 7.345 7.615 -0.270 17822 10861 1 16 . 1 1 140 140 LEU N N 140 117.771 117.771 117.913 -0.142 17822 10862 1 16 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.923 0.034 17822 10863 1 16 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.502 -1.524 17822 10864 1 16 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.307 -0.068 17822 10865 1 16 . 1 1 140 140 LEU H H 140 7.748 7.748 8.114 -0.366 17822 10866 1 16 . 1 1 141 141 SER N N 141 114.778 114.778 113.696 1.082 17822 10867 1 16 . 1 1 141 141 SER HA H 141 4.107 4.107 4.276 -0.169 17822 10868 1 16 . 1 1 141 141 SER CA C 141 60.647 60.647 60.821 -0.174 17822 10869 1 16 . 1 1 141 141 SER CB C 141 62.650 62.650 63.091 -0.441 17822 10870 1 16 . 1 1 141 141 SER H H 141 7.807 7.807 7.689 0.118 17822 10871 1 16 . 1 1 142 142 ASP N N 142 121.827 121.827 121.757 0.070 17822 10872 1 16 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.440 -0.082 17822 10873 1 16 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.700 -0.639 17822 10874 1 16 . 1 1 142 142 ASP CB C 142 40.609 40.609 40.885 -0.276 17822 10875 1 16 . 1 1 142 142 ASP H H 142 7.878 7.878 8.197 -0.319 17822 10876 1 16 . 1 1 143 143 LEU N N 143 120.220 120.220 119.453 0.767 17822 10877 1 16 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.106 -0.134 17822 10878 1 16 . 1 1 143 143 LEU CA C 143 56.462 56.462 57.209 -0.746 17822 10879 1 16 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.591 -0.377 17822 10880 1 16 . 1 1 143 143 LEU H H 143 7.846 7.846 8.317 -0.471 17822 10881 1 17 . 1 1 2 2 ALA N N 2 125.964 125.964 125.471 0.493 17822 10882 1 17 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.568 0.044 17822 10883 1 17 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.720 0.572 17822 10884 1 17 . 1 1 2 2 ALA H H 2 8.065 8.065 7.948 0.117 17822 10885 1 17 . 1 1 3 3 ASP N N 3 119.188 119.188 123.046 -3.858 17822 10886 1 17 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.832 -0.222 17822 10887 1 17 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.973 -0.091 17822 10888 1 17 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.966 -1.156 17822 10889 1 17 . 1 1 3 3 ASP H H 3 8.203 8.203 8.617 -0.414 17822 10890 1 17 . 1 1 4 4 ASP N N 4 121.607 121.607 122.778 -1.171 17822 10891 1 17 . 1 1 4 4 ASP HA H 4 4.372 4.372 5.038 -0.666 17822 10892 1 17 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.434 0.327 17822 10893 1 17 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.799 -0.889 17822 10894 1 17 . 1 1 4 4 ASP H H 4 7.954 7.954 8.291 -0.337 17822 10895 1 17 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.434 -0.182 17822 10896 1 17 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.267 -0.899 17822 10897 1 17 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.208 -0.349 17822 10898 1 17 . 1 1 6 6 SER N N 6 115.864 115.864 114.697 1.167 17822 10899 1 17 . 1 1 6 6 SER HA H 6 4.252 4.252 4.421 -0.169 17822 10900 1 17 . 1 1 6 6 SER CA C 6 58.870 58.870 58.893 -0.023 17822 10901 1 17 . 1 1 6 6 SER CB C 6 63.368 63.368 62.446 0.922 17822 10902 1 17 . 1 1 6 6 SER H H 6 8.310 8.310 8.332 -0.022 17822 10903 1 17 . 1 1 7 7 ALA N N 7 125.955 125.955 124.725 1.230 17822 10904 1 17 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.082 -0.083 17822 10905 1 17 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.079 -0.770 17822 10906 1 17 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.197 0.354 17822 10907 1 17 . 1 1 7 7 ALA H H 7 7.854 7.854 7.610 0.244 17822 10908 1 17 . 1 1 8 8 ALA N N 8 122.354 122.354 121.409 0.945 17822 10909 1 17 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.026 -0.229 17822 10910 1 17 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.953 -1.358 17822 10911 1 17 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.392 0.060 17822 10912 1 17 . 1 1 8 8 ALA H H 8 7.910 7.910 7.758 0.152 17822 10913 1 17 . 1 1 9 9 ASP N N 9 119.431 119.431 117.972 1.459 17822 10914 1 17 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.433 -0.114 17822 10915 1 17 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.181 -2.038 17822 10916 1 17 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.566 0.057 17822 10917 1 17 . 1 1 9 9 ASP H H 9 7.970 7.970 7.977 -0.007 17822 10918 1 17 . 1 1 10 10 ARG N N 10 122.263 122.263 120.709 1.554 17822 10919 1 17 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.297 -0.461 17822 10920 1 17 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.152 -1.371 17822 10921 1 17 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.632 -0.751 17822 10922 1 17 . 1 1 10 10 ARG H H 10 8.036 8.036 8.113 -0.077 17822 10923 1 17 . 1 1 11 11 ASN N N 11 118.325 118.325 117.753 0.572 17822 10924 1 17 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.442 -0.139 17822 10925 1 17 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.958 -0.815 17822 10926 1 17 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.351 -0.549 17822 10927 1 17 . 1 1 11 11 ASN H H 11 8.077 8.077 7.695 0.382 17822 10928 1 17 . 1 1 12 12 VAL N N 12 122.103 122.103 120.899 1.204 17822 10929 1 17 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.639 0.976 17822 10930 1 17 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.169 -0.548 17822 10931 1 17 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.151 0.335 17822 10932 1 17 . 1 1 12 12 VAL H H 12 7.741 7.741 7.760 -0.019 17822 10933 1 17 . 1 1 13 13 GLU N N 13 120.785 120.785 119.431 1.354 17822 10934 1 17 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.948 -0.714 17822 10935 1 17 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.299 5.762 17822 10936 1 17 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.978 0.790 17822 10937 1 17 . 1 1 13 13 GLU H H 13 7.751 7.751 7.659 0.092 17822 10938 1 17 . 1 1 14 14 ILE N N 14 120.199 120.199 120.241 -0.042 17822 10939 1 17 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.386 0.402 17822 10940 1 17 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.490 -5.308 17822 10941 1 17 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.313 -1.319 17822 10942 1 17 . 1 1 14 14 ILE H H 14 7.650 7.650 7.141 0.509 17822 10943 1 17 . 1 1 15 15 TRP N N 15 120.828 120.828 117.594 3.234 17822 10944 1 17 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.608 -0.555 17822 10945 1 17 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.442 3.148 17822 10946 1 17 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.695 -0.251 17822 10947 1 17 . 1 1 15 15 TRP H H 15 7.759 7.759 7.115 0.644 17822 10948 1 17 . 1 1 16 16 LYS N N 16 119.063 119.063 122.281 -3.218 17822 10949 1 17 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.221 -0.731 17822 10950 1 17 . 1 1 16 16 LYS CA C 16 59.969 59.969 57.895 2.074 17822 10951 1 17 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.092 0.086 17822 10952 1 17 . 1 1 16 16 LYS H H 16 7.963 7.963 7.702 0.261 17822 10953 1 17 . 1 1 17 17 ILE N N 17 120.609 120.609 119.591 1.018 17822 10954 1 17 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.826 -0.215 17822 10955 1 17 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.617 -1.161 17822 10956 1 17 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.532 -1.234 17822 10957 1 17 . 1 1 17 17 ILE H H 17 7.630 7.630 8.504 -0.874 17822 10958 1 17 . 1 1 18 18 LYS N N 18 121.687 121.687 118.596 3.091 17822 10959 1 17 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.024 -0.441 17822 10960 1 17 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.636 1.294 17822 10961 1 17 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.718 0.364 17822 10962 1 17 . 1 1 18 18 LYS H H 18 8.297 8.297 7.728 0.569 17822 10963 1 17 . 1 1 19 19 LYS N N 19 119.253 119.253 118.956 0.297 17822 10964 1 17 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.085 -0.468 17822 10965 1 17 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.418 0.567 17822 10966 1 17 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.120 -0.261 17822 10967 1 17 . 1 1 19 19 LYS H H 19 7.685 7.685 7.518 0.167 17822 10968 1 17 . 1 1 20 20 LEU N N 20 123.001 123.001 123.381 -0.380 17822 10969 1 17 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.923 -0.098 17822 10970 1 17 . 1 1 20 20 LEU CA C 20 57.781 57.781 58.057 -0.276 17822 10971 1 17 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.245 -0.834 17822 10972 1 17 . 1 1 20 20 LEU H H 20 7.509 7.509 7.894 -0.385 17822 10973 1 17 . 1 1 21 21 ILE N N 21 119.392 119.392 118.297 1.095 17822 10974 1 17 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.714 -0.644 17822 10975 1 17 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.697 2.799 17822 10976 1 17 . 1 1 21 21 ILE CB C 21 38.203 38.203 36.990 1.213 17822 10977 1 17 . 1 1 21 21 ILE H H 21 8.474 8.474 7.838 0.636 17822 10978 1 17 . 1 1 22 22 LYS N N 22 117.524 117.524 117.948 -0.424 17822 10979 1 17 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.108 -0.302 17822 10980 1 17 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.242 0.571 17822 10981 1 17 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.190 -0.303 17822 10982 1 17 . 1 1 22 22 LYS H H 22 7.300 7.300 7.650 -0.350 17822 10983 1 17 . 1 1 23 23 SER N N 23 114.880 114.880 113.826 1.054 17822 10984 1 17 . 1 1 23 23 SER HA H 23 4.008 4.008 4.392 -0.384 17822 10985 1 17 . 1 1 23 23 SER CA C 23 61.106 61.106 60.284 0.822 17822 10986 1 17 . 1 1 23 23 SER CB C 23 62.587 62.587 64.393 -1.806 17822 10987 1 17 . 1 1 23 23 SER H H 23 7.653 7.653 7.707 -0.054 17822 10988 1 17 . 1 1 24 24 LEU N N 24 121.607 121.607 122.555 -0.948 17822 10989 1 17 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.453 0.419 17822 10990 1 17 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.651 -0.788 17822 10991 1 17 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.200 0.089 17822 10992 1 17 . 1 1 24 24 LEU H H 24 8.158 8.158 8.594 -0.436 17822 10993 1 17 . 1 1 25 25 GLU N N 25 119.392 119.392 117.716 1.676 17822 10994 1 17 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.151 -0.270 17822 10995 1 17 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.673 -0.090 17822 10996 1 17 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.313 -0.133 17822 10997 1 17 . 1 1 25 25 GLU H H 25 8.344 8.344 7.779 0.565 17822 10998 1 17 . 1 1 26 26 ALA N N 26 119.228 119.228 120.095 -0.867 17822 10999 1 17 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.358 -0.241 17822 11000 1 17 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.933 0.057 17822 11001 1 17 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.645 -0.692 17822 11002 1 17 . 1 1 26 26 ALA H H 26 7.154 7.154 7.400 -0.246 17822 11003 1 17 . 1 1 27 27 ALA N N 27 121.417 121.417 122.864 -1.447 17822 11004 1 17 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.244 -0.174 17822 11005 1 17 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.190 -0.722 17822 11006 1 17 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.068 0.235 17822 11007 1 17 . 1 1 27 27 ALA H H 27 6.833 6.833 7.479 -0.646 17822 11008 1 17 . 1 1 28 28 ARG N N 28 123.986 123.986 121.704 2.282 17822 11009 1 17 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.494 0.002 17822 11010 1 17 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.076 -0.907 17822 11011 1 17 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.767 0.194 17822 11012 1 17 . 1 1 28 28 ARG H H 28 8.679 8.679 8.091 0.588 17822 11013 1 17 . 1 1 29 29 GLY N N 29 109.466 109.466 107.436 2.030 17822 11014 1 17 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.792 -0.403 17822 11015 1 17 . 1 1 29 29 GLY H H 29 8.091 8.091 8.305 -0.214 17822 11016 1 17 . 1 1 30 30 ASN N N 30 120.048 120.048 116.451 3.597 17822 11017 1 17 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.668 -0.013 17822 11018 1 17 . 1 1 30 30 ASN CA C 30 51.629 51.629 52.923 -1.294 17822 11019 1 17 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.038 -1.236 17822 11020 1 17 . 1 1 30 30 ASN H H 30 8.419 8.419 8.387 0.032 17822 11021 1 17 . 1 1 31 31 GLY N N 31 110.450 110.450 106.007 4.443 17822 11022 1 17 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.402 -0.716 17822 11023 1 17 . 1 1 31 31 GLY H H 31 8.071 8.071 8.577 -0.506 17822 11024 1 17 . 1 1 32 32 THR N N 32 112.929 112.929 115.859 -2.930 17822 11025 1 17 . 1 1 32 32 THR HA H 32 4.993 4.993 4.566 0.427 17822 11026 1 17 . 1 1 32 32 THR CA C 32 59.598 59.598 60.261 -0.663 17822 11027 1 17 . 1 1 32 32 THR H H 32 7.747 7.747 7.725 0.022 17822 11028 1 17 . 1 1 33 33 SER N N 33 115.208 115.208 116.197 -0.989 17822 11029 1 17 . 1 1 33 33 SER HA H 33 4.335 4.335 4.709 -0.374 17822 11030 1 17 . 1 1 33 33 SER CA C 33 58.067 58.067 57.351 0.716 17822 11031 1 17 . 1 1 33 33 SER CB C 33 64.572 64.572 64.416 0.156 17822 11032 1 17 . 1 1 33 33 SER H H 33 7.701 7.701 8.491 -0.790 17822 11033 1 17 . 1 1 34 34 MET N N 34 120.869 120.869 122.210 -1.341 17822 11034 1 17 . 1 1 34 34 MET HA H 34 4.666 4.666 4.807 -0.141 17822 11035 1 17 . 1 1 34 34 MET CA C 34 54.799 54.799 53.340 1.459 17822 11036 1 17 . 1 1 34 34 MET CB C 34 34.700 34.700 33.730 0.971 17822 11037 1 17 . 1 1 34 34 MET H H 34 8.679 8.679 8.321 0.358 17822 11038 1 17 . 1 1 35 35 ILE N N 35 126.806 126.806 119.919 6.887 17822 11039 1 17 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.233 1.937 17822 11040 1 17 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.088 -0.186 17822 11041 1 17 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.023 -1.350 17822 11042 1 17 . 1 1 35 35 ILE H H 35 9.562 9.562 8.054 1.508 17822 11043 1 17 . 1 1 36 36 SER N N 36 122.217 122.217 121.675 0.542 17822 11044 1 17 . 1 1 36 36 SER HA H 36 4.968 4.968 5.196 -0.228 17822 11045 1 17 . 1 1 36 36 SER CA C 36 56.602 56.602 57.355 -0.753 17822 11046 1 17 . 1 1 36 36 SER CB C 36 64.572 64.572 64.241 0.331 17822 11047 1 17 . 1 1 36 36 SER H H 36 8.422 8.422 8.127 0.295 17822 11048 1 17 . 1 1 37 37 LEU N N 37 128.938 128.938 124.083 4.855 17822 11049 1 17 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.895 0.086 17822 11050 1 17 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.468 0.013 17822 11051 1 17 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.676 -0.300 17822 11052 1 17 . 1 1 37 37 LEU H H 37 8.916 8.916 7.706 1.210 17822 11053 1 17 . 1 1 38 38 ILE N N 38 128.296 128.296 115.361 12.935 17822 11054 1 17 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.948 0.024 17822 11055 1 17 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.560 0.285 17822 11056 1 17 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.027 -2.022 17822 11057 1 17 . 1 1 38 38 ILE H H 38 8.740 8.740 8.409 0.331 17822 11058 1 17 . 1 1 39 39 ILE N N 39 125.429 125.429 123.481 1.948 17822 11059 1 17 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.616 -0.217 17822 11060 1 17 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.541 -0.818 17822 11061 1 17 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.341 2.320 17822 11062 1 17 . 1 1 39 39 ILE H H 39 8.960 8.960 8.333 0.627 17822 11063 1 17 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.806 -0.399 17822 11064 1 17 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.536 5.646 17822 11065 1 17 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.099 0.273 17822 11066 1 17 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.521 -0.700 17822 11067 1 17 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.432 3.383 17822 11068 1 17 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.776 0.400 17822 11069 1 17 . 1 1 42 42 LYS N N 42 113.683 113.683 117.602 -3.919 17822 11070 1 17 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.437 -0.481 17822 11071 1 17 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.742 1.064 17822 11072 1 17 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.971 -1.788 17822 11073 1 17 . 1 1 42 42 LYS H H 42 8.004 8.004 8.370 -0.366 17822 11074 1 17 . 1 1 43 43 ASP N N 43 121.628 121.628 118.374 3.254 17822 11075 1 17 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.832 -0.397 17822 11076 1 17 . 1 1 43 43 ASP CA C 43 52.506 52.506 52.860 -0.354 17822 11077 1 17 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.819 -1.604 17822 11078 1 17 . 1 1 43 43 ASP H H 43 7.290 7.290 7.449 -0.159 17822 11079 1 17 . 1 1 44 44 GLN N N 44 117.587 117.587 118.806 -1.219 17822 11080 1 17 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.594 -0.057 17822 11081 1 17 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.508 -0.569 17822 11082 1 17 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.841 -0.297 17822 11083 1 17 . 1 1 44 44 GLN H H 44 9.610 9.610 8.424 1.186 17822 11084 1 17 . 1 1 45 45 ILE N N 45 126.939 126.939 123.473 3.466 17822 11085 1 17 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.639 -0.338 17822 11086 1 17 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.043 -0.759 17822 11087 1 17 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.927 -2.294 17822 11088 1 17 . 1 1 45 45 ILE H H 45 8.806 8.806 8.873 -0.067 17822 11089 1 17 . 1 1 46 46 SER N N 46 113.239 113.239 114.904 -1.665 17822 11090 1 17 . 1 1 46 46 SER HA H 46 3.931 3.931 4.189 -0.258 17822 11091 1 17 . 1 1 46 46 SER CA C 46 60.762 60.762 61.461 -0.699 17822 11092 1 17 . 1 1 46 46 SER CB C 46 61.464 61.464 62.874 -1.410 17822 11093 1 17 . 1 1 46 46 SER H H 46 8.476 8.476 8.272 0.204 17822 11094 1 17 . 1 1 47 47 ARG N N 47 124.530 124.530 122.662 1.868 17822 11095 1 17 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.021 -0.230 17822 11096 1 17 . 1 1 47 47 ARG CA C 47 58.927 58.927 59.018 -0.091 17822 11097 1 17 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.505 1.078 17822 11098 1 17 . 1 1 47 47 ARG H H 47 6.731 6.731 7.441 -0.710 17822 11099 1 17 . 1 1 48 48 VAL N N 48 121.935 121.935 118.893 3.042 17822 11100 1 17 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.731 -0.584 17822 11101 1 17 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.643 -0.435 17822 11102 1 17 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.376 0.092 17822 11103 1 17 . 1 1 48 48 VAL H H 48 7.257 7.257 7.664 -0.407 17822 11104 1 17 . 1 1 49 49 ALA N N 49 122.345 122.345 120.723 1.622 17822 11105 1 17 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.067 -0.185 17822 11106 1 17 . 1 1 49 49 ALA CA C 49 55.143 55.143 55.073 0.070 17822 11107 1 17 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.235 -0.585 17822 11108 1 17 . 1 1 49 49 ALA H H 49 8.864 8.864 7.764 1.100 17822 11109 1 17 . 1 1 50 50 LYS N N 50 120.376 120.376 119.630 0.746 17822 11110 1 17 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.122 -0.219 17822 11111 1 17 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.785 0.142 17822 11112 1 17 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.366 -0.780 17822 11113 1 17 . 1 1 50 50 LYS H H 50 7.380 7.380 7.902 -0.522 17822 11114 1 17 . 1 1 51 51 MET N N 51 121.641 121.641 117.894 3.747 17822 11115 1 17 . 1 1 51 51 MET HA H 51 3.935 3.935 4.162 -0.227 17822 11116 1 17 . 1 1 51 51 MET CA C 51 58.927 58.927 58.556 0.371 17822 11117 1 17 . 1 1 51 51 MET CB C 51 30.734 30.734 32.051 -1.317 17822 11118 1 17 . 1 1 51 51 MET H H 51 7.508 7.508 7.705 -0.197 17822 11119 1 17 . 1 1 52 52 LEU N N 52 120.125 120.125 120.241 -0.116 17822 11120 1 17 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.195 -0.538 17822 11121 1 17 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.036 0.401 17822 11122 1 17 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.817 -0.263 17822 11123 1 17 . 1 1 52 52 LEU H H 52 8.203 8.203 7.793 0.410 17822 11124 1 17 . 1 1 53 53 ALA N N 53 123.639 123.639 122.083 1.556 17822 11125 1 17 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.855 0.090 17822 11126 1 17 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.423 -0.624 17822 11127 1 17 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.838 -0.589 17822 11128 1 17 . 1 1 53 53 ALA H H 53 7.775 7.775 7.659 0.116 17822 11129 1 17 . 1 1 54 54 ASP N N 54 123.165 123.165 118.114 5.051 17822 11130 1 17 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.383 -0.054 17822 11131 1 17 . 1 1 54 54 ASP CA C 54 57.207 57.207 56.972 0.235 17822 11132 1 17 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.659 -1.554 17822 11133 1 17 . 1 1 54 54 ASP H H 54 8.156 8.156 7.672 0.484 17822 11134 1 17 . 1 1 55 55 GLU N N 55 122.017 122.017 119.482 2.535 17822 11135 1 17 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.039 -0.163 17822 11136 1 17 . 1 1 55 55 GLU CA C 55 58.583 58.583 59.057 -0.474 17822 11137 1 17 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.462 -0.443 17822 11138 1 17 . 1 1 55 55 GLU H H 55 8.221 8.221 7.605 0.616 17822 11139 1 17 . 1 1 56 56 PHE N N 56 123.334 123.334 121.345 1.989 17822 11140 1 17 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.225 0.456 17822 11141 1 17 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.337 0.178 17822 11142 1 17 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.825 0.387 17822 11143 1 17 . 1 1 56 56 PHE H H 56 8.711 8.711 8.160 0.551 17822 11144 1 17 . 1 1 57 57 GLY N N 57 107.156 107.156 105.940 1.216 17822 11145 1 17 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.298 0.185 17822 11146 1 17 . 1 1 57 57 GLY H H 57 7.985 7.985 8.013 -0.028 17822 11147 1 17 . 1 1 58 58 THR N N 58 118.940 118.940 116.824 2.116 17822 11148 1 17 . 1 1 58 58 THR HA H 58 4.062 4.062 4.179 -0.117 17822 11149 1 17 . 1 1 58 58 THR CA C 58 65.406 65.406 65.362 0.044 17822 11150 1 17 . 1 1 58 58 THR CB C 58 68.408 68.408 68.984 -0.576 17822 11151 1 17 . 1 1 58 58 THR H H 58 7.992 7.992 7.738 0.254 17822 11152 1 17 . 1 1 59 59 ALA N N 59 126.365 126.365 124.899 1.466 17822 11153 1 17 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.084 -0.156 17822 11154 1 17 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.451 -0.512 17822 11155 1 17 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.820 0.331 17822 11156 1 17 . 1 1 59 59 ALA H H 59 8.351 8.351 7.892 0.459 17822 11157 1 17 . 1 1 60 60 SER N N 60 112.435 112.435 112.317 0.118 17822 11158 1 17 . 1 1 60 60 SER HA H 60 4.632 4.632 4.127 0.505 17822 11159 1 17 . 1 1 60 60 SER CA C 60 61.220 61.220 59.653 1.567 17822 11160 1 17 . 1 1 60 60 SER CB C 60 62.686 62.686 62.943 -0.257 17822 11161 1 17 . 1 1 60 60 SER H H 60 7.459 7.459 7.856 -0.397 17822 11162 1 17 . 1 1 61 61 ASN N N 61 116.971 116.971 118.868 -1.897 17822 11163 1 17 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.636 -0.123 17822 11164 1 17 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.595 -0.573 17822 11165 1 17 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.060 -0.055 17822 11166 1 17 . 1 1 61 61 ASN H H 61 7.372 7.372 7.430 -0.058 17822 11167 1 17 . 1 1 62 62 ILE N N 62 123.980 123.980 122.020 1.960 17822 11168 1 17 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.842 -0.206 17822 11169 1 17 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.216 1.212 17822 11170 1 17 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.960 -0.530 17822 11171 1 17 . 1 1 62 62 ILE H H 62 7.461 7.461 7.346 0.115 17822 11172 1 17 . 1 1 63 63 LYS N N 63 128.982 128.982 125.516 3.466 17822 11173 1 17 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.091 -0.294 17822 11174 1 17 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.276 0.422 17822 11175 1 17 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.467 0.239 17822 11176 1 17 . 1 1 63 63 LYS H H 63 8.417 8.417 8.384 0.033 17822 11177 1 17 . 1 1 64 64 SER N N 64 114.306 114.306 118.067 -3.761 17822 11178 1 17 . 1 1 64 64 SER HA H 64 4.616 4.616 4.577 0.039 17822 11179 1 17 . 1 1 64 64 SER CA C 64 56.749 56.749 57.257 -0.508 17822 11180 1 17 . 1 1 64 64 SER CB C 64 62.962 62.962 62.851 0.111 17822 11181 1 17 . 1 1 64 64 SER H H 64 7.599 7.599 7.991 -0.392 17822 11182 1 17 . 1 1 65 65 ARG N N 65 132.125 132.125 128.084 4.041 17822 11183 1 17 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.875 0.431 17822 11184 1 17 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.925 -0.023 17822 11185 1 17 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.986 3.112 17822 11186 1 17 . 1 1 65 65 ARG H H 65 8.689 8.689 8.637 0.052 17822 11187 1 17 . 1 1 66 66 VAL N N 66 116.947 116.947 118.416 -1.469 17822 11188 1 17 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.500 0.051 17822 11189 1 17 . 1 1 66 66 VAL CA C 66 65.463 65.463 67.180 -1.717 17822 11190 1 17 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.612 -0.026 17822 11191 1 17 . 1 1 66 66 VAL H H 66 7.946 7.946 8.202 -0.256 17822 11192 1 17 . 1 1 67 67 ASN N N 67 119.499 119.499 117.077 2.422 17822 11193 1 17 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.333 0.079 17822 11194 1 17 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.219 -0.846 17822 11195 1 17 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.214 -0.178 17822 11196 1 17 . 1 1 67 67 ASN H H 67 7.386 7.386 7.710 -0.324 17822 11197 1 17 . 1 1 68 68 ARG N N 68 122.132 122.132 121.893 0.239 17822 11198 1 17 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.933 -0.339 17822 11199 1 17 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.476 0.322 17822 11200 1 17 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.035 0.524 17822 11201 1 17 . 1 1 68 68 ARG H H 68 8.566 8.566 7.687 0.879 17822 11202 1 17 . 1 1 69 69 LEU N N 69 116.564 116.564 117.868 -1.304 17822 11203 1 17 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.204 -0.421 17822 11204 1 17 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.173 0.722 17822 11205 1 17 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.911 -0.302 17822 11206 1 17 . 1 1 69 69 LEU H H 69 8.167 8.167 8.602 -0.435 17822 11207 1 17 . 1 1 70 70 SER N N 70 116.805 116.805 113.817 2.988 17822 11208 1 17 . 1 1 70 70 SER HA H 70 4.132 4.132 4.262 -0.130 17822 11209 1 17 . 1 1 70 70 SER CA C 70 61.450 61.450 61.235 0.215 17822 11210 1 17 . 1 1 70 70 SER CB C 70 62.635 62.635 63.240 -0.605 17822 11211 1 17 . 1 1 70 70 SER H H 70 7.589 7.589 7.665 -0.076 17822 11212 1 17 . 1 1 71 71 VAL N N 71 124.991 124.991 123.496 1.495 17822 11213 1 17 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.932 -0.449 17822 11214 1 17 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.689 2.150 17822 11215 1 17 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.580 0.069 17822 11216 1 17 . 1 1 71 71 VAL H H 71 7.934 7.934 8.291 -0.357 17822 11217 1 17 . 1 1 72 72 LEU N N 72 118.680 118.680 119.721 -1.041 17822 11218 1 17 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.068 -0.347 17822 11219 1 17 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.840 0.399 17822 11220 1 17 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.921 -0.623 17822 11221 1 17 . 1 1 72 72 LEU H H 72 8.354 8.354 8.838 -0.484 17822 11222 1 17 . 1 1 73 73 GLY N N 73 106.674 106.674 106.060 0.614 17822 11223 1 17 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.224 -0.279 17822 11224 1 17 . 1 1 73 73 GLY H H 73 8.052 8.052 7.865 0.187 17822 11225 1 17 . 1 1 74 74 ALA N N 74 127.313 127.313 124.927 2.386 17822 11226 1 17 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.148 0.005 17822 11227 1 17 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.147 1.226 17822 11228 1 17 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.585 -0.779 17822 11229 1 17 . 1 1 74 74 ALA H H 74 7.784 7.784 7.408 0.376 17822 11230 1 17 . 1 1 75 75 ILE N N 75 119.310 119.310 119.160 0.150 17822 11231 1 17 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.613 -0.251 17822 11232 1 17 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.684 0.926 17822 11233 1 17 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.108 0.316 17822 11234 1 17 . 1 1 75 75 ILE H H 75 8.638 8.638 7.965 0.673 17822 11235 1 17 . 1 1 76 76 THR N N 76 116.205 116.205 112.499 3.706 17822 11236 1 17 . 1 1 76 76 THR HA H 76 4.227 4.227 3.850 0.377 17822 11237 1 17 . 1 1 76 76 THR CA C 76 66.782 66.782 67.026 -0.244 17822 11238 1 17 . 1 1 76 76 THR CB C 76 68.478 68.478 68.462 0.016 17822 11239 1 17 . 1 1 76 76 THR H H 76 8.317 8.317 8.226 0.091 17822 11240 1 17 . 1 1 77 77 SER N N 77 118.405 118.405 115.858 2.547 17822 11241 1 17 . 1 1 77 77 SER HA H 77 4.173 4.173 4.259 -0.086 17822 11242 1 17 . 1 1 77 77 SER CA C 77 62.482 62.482 60.913 1.569 17822 11243 1 17 . 1 1 77 77 SER CB C 77 63.484 63.484 63.100 0.384 17822 11244 1 17 . 1 1 77 77 SER H H 77 7.843 7.843 7.670 0.173 17822 11245 1 17 . 1 1 78 78 VAL N N 78 124.171 124.171 122.118 2.053 17822 11246 1 17 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.806 -0.233 17822 11247 1 17 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.017 0.707 17822 11248 1 17 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.740 -0.756 17822 11249 1 17 . 1 1 78 78 VAL H H 78 8.153 8.153 7.754 0.399 17822 11250 1 17 . 1 1 79 79 GLN N N 79 120.008 120.008 118.695 1.313 17822 11251 1 17 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.861 0.068 17822 11252 1 17 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.541 -0.155 17822 11253 1 17 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.314 0.465 17822 11254 1 17 . 1 1 79 79 GLN H H 79 8.688 8.688 8.772 -0.084 17822 11255 1 17 . 1 1 80 80 GLN N N 80 116.870 116.870 118.365 -1.495 17822 11256 1 17 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.017 -0.242 17822 11257 1 17 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.393 -0.867 17822 11258 1 17 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.359 -0.382 17822 11259 1 17 . 1 1 80 80 GLN H H 80 7.850 7.850 7.786 0.064 17822 11260 1 17 . 1 1 81 81 ARG N N 81 119.074 119.074 119.143 -0.069 17822 11261 1 17 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.100 -0.108 17822 11262 1 17 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.810 -2.176 17822 11263 1 17 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.694 -1.372 17822 11264 1 17 . 1 1 81 81 ARG H H 81 7.520 7.520 7.620 -0.100 17822 11265 1 17 . 1 1 82 82 LEU N N 82 117.238 117.238 117.711 -0.473 17822 11266 1 17 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.359 -0.468 17822 11267 1 17 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.870 -0.433 17822 11268 1 17 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.272 -0.462 17822 11269 1 17 . 1 1 82 82 LEU H H 82 8.189 8.189 7.861 0.328 17822 11270 1 17 . 1 1 83 83 LYS N N 83 114.899 114.899 118.683 -3.784 17822 11271 1 17 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.112 -0.167 17822 11272 1 17 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.758 -1.093 17822 11273 1 17 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.896 0.091 17822 11274 1 17 . 1 1 83 83 LYS H H 83 7.064 7.064 7.763 -0.699 17822 11275 1 17 . 1 1 84 84 LEU N N 84 117.840 117.840 119.354 -1.514 17822 11276 1 17 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.067 -0.194 17822 11277 1 17 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.897 -1.582 17822 11278 1 17 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.020 -0.091 17822 11279 1 17 . 1 1 84 84 LEU H H 84 7.271 7.271 7.591 -0.320 17822 11280 1 17 . 1 1 85 85 TYR N N 85 119.720 119.720 117.431 2.289 17822 11281 1 17 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.372 -0.117 17822 11282 1 17 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.130 -1.063 17822 11283 1 17 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.624 0.444 17822 11284 1 17 . 1 1 85 85 TYR H H 85 7.633 7.633 7.354 0.279 17822 11285 1 17 . 1 1 86 86 ASN N N 86 119.638 119.638 114.246 5.392 17822 11286 1 17 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.397 0.077 17822 11287 1 17 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.438 -0.556 17822 11288 1 17 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.229 0.513 17822 11289 1 17 . 1 1 86 86 ASN H H 86 8.622 8.622 8.590 0.032 17822 11290 1 17 . 1 1 87 87 LYS N N 87 116.321 116.321 117.897 -1.576 17822 11291 1 17 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.529 -0.031 17822 11292 1 17 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.464 -0.295 17822 11293 1 17 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.738 -1.065 17822 11294 1 17 . 1 1 87 87 LYS H H 87 7.631 7.631 7.889 -0.258 17822 11295 1 17 . 1 1 88 88 VAL N N 88 125.141 125.141 119.103 6.038 17822 11296 1 17 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.517 -0.895 17822 11297 1 17 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.865 3.101 17822 11298 1 17 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.061 1.227 17822 11299 1 17 . 1 1 88 88 VAL H H 88 8.357 8.357 8.391 -0.034 17822 11300 1 17 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.686 -0.433 17822 11301 1 17 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.409 1.931 17822 11302 1 17 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.844 0.710 17822 11303 1 17 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.253 0.247 17822 11304 1 17 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.441 0.538 17822 11305 1 17 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.025 0.163 17822 11306 1 17 . 1 1 91 91 ASN N N 91 112.735 112.735 116.343 -3.608 17822 11307 1 17 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.418 0.237 17822 11308 1 17 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.861 -1.986 17822 11309 1 17 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.572 -1.129 17822 11310 1 17 . 1 1 91 91 ASN H H 91 9.163 9.163 8.557 0.606 17822 11311 1 17 . 1 1 92 92 GLY N N 92 108.893 108.893 105.199 3.694 17822 11312 1 17 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.584 -1.143 17822 11313 1 17 . 1 1 92 92 GLY H H 92 7.898 7.898 7.119 0.779 17822 11314 1 17 . 1 1 93 93 LEU N N 93 117.751 117.751 126.663 -8.912 17822 11315 1 17 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.205 0.119 17822 11316 1 17 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.287 -0.520 17822 11317 1 17 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.162 5.365 17822 11318 1 17 . 1 1 93 93 LEU H H 93 8.508 8.508 7.618 0.890 17822 11319 1 17 . 1 1 94 94 VAL N N 94 126.296 126.296 127.910 -1.614 17822 11320 1 17 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.792 -0.442 17822 11321 1 17 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.131 -0.656 17822 11322 1 17 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.771 -0.603 17822 11323 1 17 . 1 1 94 94 VAL H H 94 8.168 8.168 7.883 0.285 17822 11324 1 17 . 1 1 95 95 VAL N N 95 125.531 125.531 118.347 7.184 17822 11325 1 17 . 1 1 95 95 VAL HA H 95 4.140 4.140 4.944 -0.804 17822 11326 1 17 . 1 1 95 95 VAL CA C 95 60.303 60.303 60.209 0.094 17822 11327 1 17 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.221 0.974 17822 11328 1 17 . 1 1 95 95 VAL H H 95 8.744 8.744 8.383 0.361 17822 11329 1 17 . 1 1 96 96 TYR N N 96 123.577 123.577 124.407 -0.830 17822 11330 1 17 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.677 -0.345 17822 11331 1 17 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.729 0.848 17822 11332 1 17 . 1 1 96 96 TYR CB C 96 40.620 40.620 40.724 -0.104 17822 11333 1 17 . 1 1 96 96 TYR H H 96 8.698 8.698 9.278 -0.580 17822 11334 1 17 . 1 1 97 97 CYS N N 97 120.144 120.144 124.015 -3.871 17822 11335 1 17 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.859 -0.311 17822 11336 1 17 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.378 -0.801 17822 11337 1 17 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.280 1.506 17822 11338 1 17 . 1 1 97 97 CYS H H 97 8.796 8.796 8.229 0.567 17822 11339 1 17 . 1 1 98 98 GLY N N 98 112.534 112.534 115.378 -2.844 17822 11340 1 17 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.365 0.433 17822 11341 1 17 . 1 1 98 98 GLY H H 98 8.776 8.776 8.503 0.273 17822 11342 1 17 . 1 1 99 99 THR N N 99 119.083 119.083 116.515 2.568 17822 11343 1 17 . 1 1 99 99 THR HA H 99 4.821 4.821 5.353 -0.532 17822 11344 1 17 . 1 1 99 99 THR CA C 99 62.294 62.294 61.849 0.445 17822 11345 1 17 . 1 1 99 99 THR CB C 99 69.781 69.781 70.533 -0.752 17822 11346 1 17 . 1 1 99 99 THR H H 99 8.168 8.168 8.380 -0.212 17822 11347 1 17 . 1 1 100 100 ILE N N 100 122.250 122.250 123.260 -1.010 17822 11348 1 17 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.719 -0.142 17822 11349 1 17 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.652 -0.069 17822 11350 1 17 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.091 0.418 17822 11351 1 17 . 1 1 100 100 ILE H H 100 8.838 8.838 8.584 0.254 17822 11352 1 17 . 1 1 101 101 VAL N N 101 120.622 120.622 125.276 -4.654 17822 11353 1 17 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.822 -0.172 17822 11354 1 17 . 1 1 101 101 VAL CA C 101 60.590 60.590 60.658 -0.068 17822 11355 1 17 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.564 -1.675 17822 11356 1 17 . 1 1 101 101 VAL H H 101 8.310 8.310 8.513 -0.203 17822 11357 1 17 . 1 1 102 102 THR N N 102 118.661 118.661 117.956 0.705 17822 11358 1 17 . 1 1 102 102 THR HA H 102 4.658 4.658 4.632 0.026 17822 11359 1 17 . 1 1 102 102 THR CA C 102 60.590 60.590 60.145 0.445 17822 11360 1 17 . 1 1 102 102 THR CB C 102 71.189 71.189 70.896 0.293 17822 11361 1 17 . 1 1 102 102 THR H H 102 8.867 8.867 8.165 0.702 17822 11362 1 17 . 1 1 103 103 GLU N N 103 121.906 121.906 120.863 1.043 17822 11363 1 17 . 1 1 103 103 GLU HA H 103 3.918 3.918 3.967 -0.049 17822 11364 1 17 . 1 1 103 103 GLU CA C 103 58.927 58.927 59.051 -0.124 17822 11365 1 17 . 1 1 103 103 GLU CB C 103 28.930 28.930 28.998 -0.068 17822 11366 1 17 . 1 1 103 103 GLU H H 103 9.243 9.243 8.848 0.395 17822 11367 1 17 . 1 1 104 104 GLU N N 104 116.013 116.013 120.171 -4.158 17822 11368 1 17 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.141 0.033 17822 11369 1 17 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.069 0.164 17822 11370 1 17 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.608 -0.141 17822 11371 1 17 . 1 1 104 104 GLU H H 104 7.716 7.716 7.738 -0.022 17822 11372 1 17 . 1 1 105 105 GLY N N 105 109.001 109.001 107.980 1.021 17822 11373 1 17 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.148 -0.443 17822 11374 1 17 . 1 1 105 105 GLY H H 105 8.045 8.045 8.146 -0.101 17822 11375 1 17 . 1 1 106 106 LYS N N 106 119.559 119.559 119.372 0.187 17822 11376 1 17 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.657 -0.326 17822 11377 1 17 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.448 0.007 17822 11378 1 17 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.885 -0.463 17822 11379 1 17 . 1 1 106 106 LYS H H 106 6.924 6.924 7.567 -0.643 17822 11380 1 17 . 1 1 107 107 GLU N N 107 121.771 121.771 124.120 -2.349 17822 11381 1 17 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.206 0.748 17822 11382 1 17 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.838 -1.236 17822 11383 1 17 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.598 0.687 17822 11384 1 17 . 1 1 107 107 GLU H H 107 8.371 8.371 8.732 -0.361 17822 11385 1 17 . 1 1 108 108 LYS N N 108 125.216 125.216 123.587 1.629 17822 11386 1 17 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.474 -0.034 17822 11387 1 17 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.192 -0.106 17822 11388 1 17 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.819 1.096 17822 11389 1 17 . 1 1 108 108 LYS H H 108 8.946 8.946 8.286 0.660 17822 11390 1 17 . 1 1 109 109 LYS N N 109 125.136 125.136 129.486 -4.350 17822 11391 1 17 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.585 0.051 17822 11392 1 17 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.026 -0.252 17822 11393 1 17 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.616 0.184 17822 11394 1 17 . 1 1 109 109 LYS H H 109 8.548 8.548 8.611 -0.063 17822 11395 1 17 . 1 1 110 110 VAL N N 110 125.626 125.626 126.909 -1.283 17822 11396 1 17 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.110 -0.034 17822 11397 1 17 . 1 1 110 110 VAL CA C 110 61.564 61.564 61.632 -0.068 17822 11398 1 17 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.987 0.905 17822 11399 1 17 . 1 1 110 110 VAL H H 110 8.850 8.850 8.573 0.277 17822 11400 1 17 . 1 1 111 111 ASN N N 111 126.837 126.837 127.692 -0.855 17822 11401 1 17 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.514 -0.226 17822 11402 1 17 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.340 0.969 17822 11403 1 17 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.756 -0.287 17822 11404 1 17 . 1 1 111 111 ASN H H 111 8.711 8.711 8.559 0.152 17822 11405 1 17 . 1 1 112 112 ILE N N 112 125.729 125.729 123.955 1.774 17822 11406 1 17 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.516 -0.132 17822 11407 1 17 . 1 1 112 112 ILE CA C 112 60.189 60.189 60.990 -0.801 17822 11408 1 17 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.058 -0.206 17822 11409 1 17 . 1 1 112 112 ILE H H 112 8.931 8.931 8.837 0.094 17822 11410 1 17 . 1 1 113 113 ASP N N 113 122.734 122.734 123.766 -1.032 17822 11411 1 17 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.982 -0.192 17822 11412 1 17 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.381 -1.176 17822 11413 1 17 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.666 -0.145 17822 11414 1 17 . 1 1 113 113 ASP H H 113 8.116 8.116 8.430 -0.314 17822 11415 1 17 . 1 1 114 114 PHE N N 114 116.385 116.385 118.015 -1.630 17822 11416 1 17 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.858 -0.155 17822 11417 1 17 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.491 -0.029 17822 11418 1 17 . 1 1 114 114 PHE CB C 114 39.707 39.707 41.018 -1.311 17822 11419 1 17 . 1 1 114 114 PHE H H 114 8.613 8.613 8.172 0.441 17822 11420 1 17 . 1 1 115 115 GLU N N 115 124.642 124.642 120.210 4.432 17822 11421 1 17 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.593 0.200 17822 11422 1 17 . 1 1 115 115 GLU CA C 115 51.703 51.703 52.965 -1.262 17822 11423 1 17 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.749 1.376 17822 11424 1 17 . 1 1 115 115 GLU H H 115 8.591 8.591 8.307 0.284 17822 11425 1 17 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.260 0.323 17822 11426 1 17 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.582 -0.231 17822 11427 1 17 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.245 -1.283 17822 11428 1 17 . 1 1 117 117 PHE N N 117 116.676 116.676 112.391 4.285 17822 11429 1 17 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.670 -0.476 17822 11430 1 17 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.738 0.901 17822 11431 1 17 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.342 -1.590 17822 11432 1 17 . 1 1 117 117 PHE H H 117 7.842 7.842 8.210 -0.368 17822 11433 1 17 . 1 1 118 118 LYS N N 118 118.589 118.589 119.264 -0.675 17822 11434 1 17 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.397 -0.214 17822 11435 1 17 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.400 -0.066 17822 11436 1 17 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.203 1.990 17822 11437 1 17 . 1 1 118 118 LYS H H 118 6.889 6.889 7.174 -0.285 17822 11438 1 17 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.529 -0.006 17822 11439 1 17 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.287 0.329 17822 11440 1 17 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.352 -0.180 17822 11441 1 17 . 1 1 120 120 ILE N N 120 121.968 121.968 123.678 -1.710 17822 11442 1 17 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.118 -0.212 17822 11443 1 17 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.834 1.585 17822 11444 1 17 . 1 1 120 120 ILE CB C 120 38.805 38.805 37.478 1.327 17822 11445 1 17 . 1 1 120 120 ILE H H 120 7.440 7.440 7.653 -0.213 17822 11446 1 17 . 1 1 121 121 ASN N N 121 120.951 120.951 127.442 -6.491 17822 11447 1 17 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.368 0.264 17822 11448 1 17 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.175 -1.293 17822 11449 1 17 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.571 0.727 17822 11450 1 17 . 1 1 121 121 ASN H H 121 8.112 8.112 8.771 -0.659 17822 11451 1 17 . 1 1 122 122 GLN N N 122 118.826 118.826 115.765 3.061 17822 11452 1 17 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.473 -0.061 17822 11453 1 17 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.904 -0.506 17822 11454 1 17 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.263 0.223 17822 11455 1 17 . 1 1 122 122 GLN H H 122 7.009 7.009 7.750 -0.741 17822 11456 1 17 . 1 1 123 123 PHE N N 123 122.795 122.795 118.640 4.155 17822 11457 1 17 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.466 0.248 17822 11458 1 17 . 1 1 123 123 PHE CA C 123 57.207 57.207 57.982 -0.775 17822 11459 1 17 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.027 0.691 17822 11460 1 17 . 1 1 123 123 PHE H H 123 8.335 8.335 8.802 -0.467 17822 11461 1 17 . 1 1 124 124 MET N N 124 126.990 126.990 126.705 0.285 17822 11462 1 17 . 1 1 124 124 MET HA H 124 3.984 3.984 4.453 -0.469 17822 11463 1 17 . 1 1 124 124 MET CA C 124 54.799 54.799 54.429 0.370 17822 11464 1 17 . 1 1 124 124 MET CB C 124 37.330 37.330 36.257 1.073 17822 11465 1 17 . 1 1 124 124 MET H H 124 7.992 7.992 8.484 -0.492 17822 11466 1 17 . 1 1 125 125 TYR N N 125 122.216 122.216 124.934 -2.718 17822 11467 1 17 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.461 0.443 17822 11468 1 17 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.237 -0.488 17822 11469 1 17 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.339 0.814 17822 11470 1 17 . 1 1 125 125 TYR H H 125 7.552 7.552 8.129 -0.577 17822 11471 1 17 . 1 1 126 126 PHE N N 126 124.584 124.584 118.767 5.817 17822 11472 1 17 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.710 -0.635 17822 11473 1 17 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.666 0.739 17822 11474 1 17 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.670 3.749 17822 11475 1 17 . 1 1 126 126 PHE H H 126 8.271 8.271 6.475 1.796 17822 11476 1 17 . 1 1 127 127 CYS N N 127 124.011 124.011 118.967 5.044 17822 11477 1 17 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.658 0.138 17822 11478 1 17 . 1 1 127 127 CYS CA C 127 57.840 57.840 56.417 1.423 17822 11479 1 17 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.415 -4.484 17822 11480 1 17 . 1 1 127 127 CYS H H 127 8.442 8.442 8.814 -0.372 17822 11481 1 17 . 1 1 128 128 ASP N N 128 127.486 127.486 121.893 5.593 17822 11482 1 17 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.624 0.382 17822 11483 1 17 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.564 -2.058 17822 11484 1 17 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.655 2.741 17822 11485 1 17 . 1 1 128 128 ASP H H 128 8.907 8.907 8.308 0.599 17822 11486 1 17 . 1 1 129 129 ASN N N 129 119.092 119.092 114.705 4.387 17822 11487 1 17 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.320 0.344 17822 11488 1 17 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.125 -1.390 17822 11489 1 17 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.129 0.773 17822 11490 1 17 . 1 1 129 129 ASN H H 129 9.136 9.136 8.869 0.267 17822 11491 1 17 . 1 1 130 130 LYS N N 130 114.367 114.367 113.291 1.076 17822 11492 1 17 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.471 -0.308 17822 11493 1 17 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.136 -0.910 17822 11494 1 17 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.639 -0.547 17822 11495 1 17 . 1 1 130 130 LYS H H 130 7.115 7.115 7.155 -0.040 17822 11496 1 17 . 1 1 131 131 PHE N N 131 121.117 121.117 121.363 -0.246 17822 11497 1 17 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.573 -0.058 17822 11498 1 17 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.284 -2.134 17822 11499 1 17 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.366 -1.277 17822 11500 1 17 . 1 1 131 131 PHE H H 131 9.291 9.291 8.880 0.411 17822 11501 1 17 . 1 1 132 132 HIS N N 132 121.897 121.897 124.009 -2.112 17822 11502 1 17 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.883 -0.500 17822 11503 1 17 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.562 0.441 17822 11504 1 17 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.804 -2.461 17822 11505 1 17 . 1 1 132 132 HIS H H 132 9.026 9.026 8.377 0.649 17822 11506 1 17 . 1 1 133 133 THR N N 133 117.915 117.915 117.877 0.038 17822 11507 1 17 . 1 1 133 133 THR HA H 133 4.612 4.612 4.690 -0.078 17822 11508 1 17 . 1 1 133 133 THR CA C 133 61.679 61.679 61.855 -0.176 17822 11509 1 17 . 1 1 133 133 THR CB C 133 73.856 73.856 70.905 2.951 17822 11510 1 17 . 1 1 133 133 THR H H 133 8.700 8.700 8.539 0.161 17822 11511 1 17 . 1 1 134 134 GLU N N 134 129.072 129.072 127.463 1.609 17822 11512 1 17 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.248 -0.269 17822 11513 1 17 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.456 1.077 17822 11514 1 17 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.563 -2.060 17822 11515 1 17 . 1 1 134 134 GLU H H 134 10.805 10.805 8.773 2.032 17822 11516 1 17 . 1 1 135 135 ALA N N 135 122.099 122.099 122.453 -0.354 17822 11517 1 17 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.050 0.021 17822 11518 1 17 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.129 -0.616 17822 11519 1 17 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.778 0.983 17822 11520 1 17 . 1 1 135 135 ALA H H 135 8.590 8.590 8.588 0.002 17822 11521 1 17 . 1 1 136 136 LEU N N 136 116.720 116.720 117.939 -1.219 17822 11522 1 17 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.993 0.061 17822 11523 1 17 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.963 -1.386 17822 11524 1 17 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.536 -0.225 17822 11525 1 17 . 1 1 136 136 LEU H H 136 7.471 7.471 7.815 -0.344 17822 11526 1 17 . 1 1 137 137 THR N N 137 117.177 117.177 112.619 4.558 17822 11527 1 17 . 1 1 137 137 THR HA H 137 4.005 4.005 3.993 0.012 17822 11528 1 17 . 1 1 137 137 THR CA C 137 66.610 66.610 65.136 1.474 17822 11529 1 17 . 1 1 137 137 THR CB C 137 67.980 67.980 68.678 -0.698 17822 11530 1 17 . 1 1 137 137 THR H H 137 8.044 8.044 7.610 0.434 17822 11531 1 17 . 1 1 138 138 ALA N N 138 124.719 124.719 124.516 0.203 17822 11532 1 17 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.278 -0.277 17822 11533 1 17 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.716 0.198 17822 11534 1 17 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.409 -0.912 17822 11535 1 17 . 1 1 138 138 ALA H H 138 7.695 7.695 8.128 -0.433 17822 11536 1 17 . 1 1 139 139 LEU N N 139 120.059 120.059 120.293 -0.234 17822 11537 1 17 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.977 0.022 17822 11538 1 17 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.067 -0.573 17822 11539 1 17 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.959 0.853 17822 11540 1 17 . 1 1 139 139 LEU H H 139 7.345 7.345 8.183 -0.838 17822 11541 1 17 . 1 1 140 140 LEU N N 140 117.771 117.771 117.974 -0.203 17822 11542 1 17 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.916 0.041 17822 11543 1 17 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.440 -1.462 17822 11544 1 17 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.230 0.009 17822 11545 1 17 . 1 1 140 140 LEU H H 140 7.748 7.748 8.014 -0.266 17822 11546 1 17 . 1 1 141 141 SER N N 141 114.778 114.778 113.112 1.666 17822 11547 1 17 . 1 1 141 141 SER HA H 141 4.107 4.107 4.159 -0.052 17822 11548 1 17 . 1 1 141 141 SER CA C 141 60.647 60.647 61.495 -0.848 17822 11549 1 17 . 1 1 141 141 SER CB C 141 62.650 62.650 62.845 -0.195 17822 11550 1 17 . 1 1 141 141 SER H H 141 7.807 7.807 7.856 -0.049 17822 11551 1 17 . 1 1 142 142 ASP N N 142 121.827 121.827 121.337 0.490 17822 11552 1 17 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.566 -0.208 17822 11553 1 17 . 1 1 142 142 ASP CA C 142 56.061 56.061 55.977 0.084 17822 11554 1 17 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.020 -0.411 17822 11555 1 17 . 1 1 142 142 ASP H H 142 7.878 7.878 7.816 0.062 17822 11556 1 17 . 1 1 143 143 LEU N N 143 120.220 120.220 120.212 0.008 17822 11557 1 17 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.105 -0.133 17822 11558 1 17 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.486 -0.024 17822 11559 1 17 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.703 -0.489 17822 11560 1 17 . 1 1 143 143 LEU H H 143 7.846 7.846 8.119 -0.273 17822 11561 1 18 . 1 1 2 2 ALA N N 2 125.964 125.964 126.152 -0.188 17822 11562 1 18 . 1 1 2 2 ALA HA H 2 4.612 4.612 5.348 -0.736 17822 11563 1 18 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.755 0.537 17822 11564 1 18 . 1 1 2 2 ALA H H 2 8.065 8.065 8.786 -0.721 17822 11565 1 18 . 1 1 3 3 ASP N N 3 119.188 119.188 120.280 -1.092 17822 11566 1 18 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.640 -0.030 17822 11567 1 18 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.945 -0.063 17822 11568 1 18 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.663 -0.853 17822 11569 1 18 . 1 1 3 3 ASP H H 3 8.203 8.203 8.266 -0.063 17822 11570 1 18 . 1 1 4 4 ASP N N 4 121.607 121.607 123.312 -1.705 17822 11571 1 18 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.887 -0.515 17822 11572 1 18 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.492 -0.731 17822 11573 1 18 . 1 1 4 4 ASP CB C 4 40.910 40.910 41.971 -1.061 17822 11574 1 18 . 1 1 4 4 ASP H H 4 7.954 7.954 8.302 -0.348 17822 11575 1 18 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.364 -0.112 17822 11576 1 18 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.671 -1.304 17822 11577 1 18 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.086 -0.227 17822 11578 1 18 . 1 1 6 6 SER N N 6 115.864 115.864 114.626 1.238 17822 11579 1 18 . 1 1 6 6 SER HA H 6 4.252 4.252 4.307 -0.055 17822 11580 1 18 . 1 1 6 6 SER CA C 6 58.870 58.870 60.093 -1.223 17822 11581 1 18 . 1 1 6 6 SER CB C 6 63.368 63.368 62.493 0.875 17822 11582 1 18 . 1 1 6 6 SER H H 6 8.310 8.310 8.533 -0.223 17822 11583 1 18 . 1 1 7 7 ALA N N 7 125.955 125.955 124.730 1.225 17822 11584 1 18 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.208 -0.209 17822 11585 1 18 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.926 -0.617 17822 11586 1 18 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.324 0.227 17822 11587 1 18 . 1 1 7 7 ALA H H 7 7.854 7.854 7.312 0.542 17822 11588 1 18 . 1 1 8 8 ALA N N 8 122.354 122.354 121.132 1.222 17822 11589 1 18 . 1 1 8 8 ALA HA H 8 3.797 3.797 3.998 -0.201 17822 11590 1 18 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.224 -1.629 17822 11591 1 18 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.302 0.150 17822 11592 1 18 . 1 1 8 8 ALA H H 8 7.910 7.910 7.908 0.002 17822 11593 1 18 . 1 1 9 9 ASP N N 9 119.431 119.431 117.078 2.353 17822 11594 1 18 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.384 -0.065 17822 11595 1 18 . 1 1 9 9 ASP CA C 9 55.143 55.143 56.908 -1.765 17822 11596 1 18 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.508 0.115 17822 11597 1 18 . 1 1 9 9 ASP H H 9 7.970 7.970 7.973 -0.003 17822 11598 1 18 . 1 1 10 10 ARG N N 10 122.263 122.263 121.117 1.146 17822 11599 1 18 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.272 -0.436 17822 11600 1 18 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.105 -1.324 17822 11601 1 18 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.498 -0.617 17822 11602 1 18 . 1 1 10 10 ARG H H 10 8.036 8.036 7.947 0.089 17822 11603 1 18 . 1 1 11 11 ASN N N 11 118.325 118.325 117.536 0.789 17822 11604 1 18 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.450 -0.147 17822 11605 1 18 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.955 -0.812 17822 11606 1 18 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.315 -0.513 17822 11607 1 18 . 1 1 11 11 ASN H H 11 8.077 8.077 7.768 0.309 17822 11608 1 18 . 1 1 12 12 VAL N N 12 122.103 122.103 120.998 1.105 17822 11609 1 18 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.684 0.931 17822 11610 1 18 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.144 -0.523 17822 11611 1 18 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.119 0.367 17822 11612 1 18 . 1 1 12 12 VAL H H 12 7.741 7.741 7.712 0.029 17822 11613 1 18 . 1 1 13 13 GLU N N 13 120.785 120.785 119.551 1.234 17822 11614 1 18 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.926 -0.692 17822 11615 1 18 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.331 5.730 17822 11616 1 18 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.978 0.790 17822 11617 1 18 . 1 1 13 13 GLU H H 13 7.751 7.751 7.738 0.013 17822 11618 1 18 . 1 1 14 14 ILE N N 14 120.199 120.199 120.147 0.052 17822 11619 1 18 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.339 0.449 17822 11620 1 18 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.516 -5.334 17822 11621 1 18 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.279 -1.284 17822 11622 1 18 . 1 1 14 14 ILE H H 14 7.650 7.650 7.131 0.519 17822 11623 1 18 . 1 1 15 15 TRP N N 15 120.828 120.828 117.544 3.284 17822 11624 1 18 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.609 -0.556 17822 11625 1 18 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.587 3.003 17822 11626 1 18 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.700 -0.256 17822 11627 1 18 . 1 1 15 15 TRP H H 15 7.759 7.759 7.109 0.650 17822 11628 1 18 . 1 1 16 16 LYS N N 16 119.063 119.063 122.168 -3.105 17822 11629 1 18 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.181 -0.691 17822 11630 1 18 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.098 1.871 17822 11631 1 18 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.932 0.246 17822 11632 1 18 . 1 1 16 16 LYS H H 16 7.963 7.963 7.754 0.209 17822 11633 1 18 . 1 1 17 17 ILE N N 17 120.609 120.609 119.590 1.019 17822 11634 1 18 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.898 -0.287 17822 11635 1 18 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.215 -0.759 17822 11636 1 18 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.633 -1.335 17822 11637 1 18 . 1 1 17 17 ILE H H 17 7.630 7.630 8.471 -0.841 17822 11638 1 18 . 1 1 18 18 LYS N N 18 121.687 121.687 119.278 2.409 17822 11639 1 18 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.048 -0.465 17822 11640 1 18 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.495 1.435 17822 11641 1 18 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.560 0.522 17822 11642 1 18 . 1 1 18 18 LYS H H 18 8.297 8.297 7.777 0.520 17822 11643 1 18 . 1 1 19 19 LYS N N 19 119.253 119.253 118.708 0.545 17822 11644 1 18 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.109 -0.492 17822 11645 1 18 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.590 0.395 17822 11646 1 18 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.223 -0.364 17822 11647 1 18 . 1 1 19 19 LYS H H 19 7.685 7.685 7.690 -0.005 17822 11648 1 18 . 1 1 20 20 LEU N N 20 123.001 123.001 121.984 1.017 17822 11649 1 18 . 1 1 20 20 LEU HA H 20 3.825 3.825 3.972 -0.147 17822 11650 1 18 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.725 0.056 17822 11651 1 18 . 1 1 20 20 LEU CB C 20 41.411 41.411 42.039 -0.628 17822 11652 1 18 . 1 1 20 20 LEU H H 20 7.509 7.509 7.176 0.333 17822 11653 1 18 . 1 1 21 21 ILE N N 21 119.392 119.392 118.693 0.699 17822 11654 1 18 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.703 -0.633 17822 11655 1 18 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.879 2.616 17822 11656 1 18 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.103 1.100 17822 11657 1 18 . 1 1 21 21 ILE H H 21 8.474 8.474 8.074 0.400 17822 11658 1 18 . 1 1 22 22 LYS N N 22 117.524 117.524 117.989 -0.465 17822 11659 1 18 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.151 -0.345 17822 11660 1 18 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.369 0.444 17822 11661 1 18 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.026 -0.139 17822 11662 1 18 . 1 1 22 22 LYS H H 22 7.300 7.300 7.647 -0.347 17822 11663 1 18 . 1 1 23 23 SER N N 23 114.880 114.880 114.649 0.231 17822 11664 1 18 . 1 1 23 23 SER HA H 23 4.008 4.008 4.326 -0.318 17822 11665 1 18 . 1 1 23 23 SER CA C 23 61.106 61.106 60.724 0.382 17822 11666 1 18 . 1 1 23 23 SER CB C 23 62.587 62.587 63.928 -1.341 17822 11667 1 18 . 1 1 23 23 SER H H 23 7.653 7.653 7.362 0.291 17822 11668 1 18 . 1 1 24 24 LEU N N 24 121.607 121.607 122.073 -0.466 17822 11669 1 18 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.525 0.347 17822 11670 1 18 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.950 -1.087 17822 11671 1 18 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.236 0.053 17822 11672 1 18 . 1 1 24 24 LEU H H 24 8.158 8.158 8.595 -0.437 17822 11673 1 18 . 1 1 25 25 GLU N N 25 119.392 119.392 117.873 1.519 17822 11674 1 18 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.181 -0.300 17822 11675 1 18 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.691 -0.109 17822 11676 1 18 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.377 -0.197 17822 11677 1 18 . 1 1 25 25 GLU H H 25 8.344 8.344 7.832 0.512 17822 11678 1 18 . 1 1 26 26 ALA N N 26 119.228 119.228 119.435 -0.207 17822 11679 1 18 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.412 -0.295 17822 11680 1 18 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.590 0.400 17822 11681 1 18 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.565 -0.612 17822 11682 1 18 . 1 1 26 26 ALA H H 26 7.154 7.154 7.374 -0.220 17822 11683 1 18 . 1 1 27 27 ALA N N 27 121.417 121.417 123.824 -2.407 17822 11684 1 18 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.319 -0.249 17822 11685 1 18 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.001 -0.533 17822 11686 1 18 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.508 -0.205 17822 11687 1 18 . 1 1 27 27 ALA H H 27 6.833 6.833 7.511 -0.678 17822 11688 1 18 . 1 1 28 28 ARG N N 28 123.986 123.986 121.700 2.286 17822 11689 1 18 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.536 -0.040 17822 11690 1 18 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.066 -0.897 17822 11691 1 18 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.941 0.020 17822 11692 1 18 . 1 1 28 28 ARG H H 28 8.679 8.679 8.144 0.535 17822 11693 1 18 . 1 1 29 29 GLY N N 29 109.466 109.466 107.177 2.289 17822 11694 1 18 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.718 -0.329 17822 11695 1 18 . 1 1 29 29 GLY H H 29 8.091 8.091 8.328 -0.237 17822 11696 1 18 . 1 1 30 30 ASN N N 30 120.048 120.048 116.447 3.601 17822 11697 1 18 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.648 0.007 17822 11698 1 18 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.085 -1.456 17822 11699 1 18 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.161 -1.359 17822 11700 1 18 . 1 1 30 30 ASN H H 30 8.419 8.419 8.481 -0.062 17822 11701 1 18 . 1 1 31 31 GLY N N 31 110.450 110.450 106.222 4.228 17822 11702 1 18 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.601 -0.915 17822 11703 1 18 . 1 1 31 31 GLY H H 31 8.071 8.071 8.652 -0.581 17822 11704 1 18 . 1 1 32 32 THR N N 32 112.929 112.929 114.454 -1.525 17822 11705 1 18 . 1 1 32 32 THR HA H 32 4.993 4.993 4.592 0.401 17822 11706 1 18 . 1 1 32 32 THR CA C 32 59.598 59.598 60.313 -0.715 17822 11707 1 18 . 1 1 32 32 THR H H 32 7.747 7.747 7.685 0.062 17822 11708 1 18 . 1 1 33 33 SER N N 33 115.208 115.208 115.610 -0.402 17822 11709 1 18 . 1 1 33 33 SER HA H 33 4.335 4.335 4.719 -0.384 17822 11710 1 18 . 1 1 33 33 SER CA C 33 58.067 58.067 56.613 1.454 17822 11711 1 18 . 1 1 33 33 SER CB C 33 64.572 64.572 64.309 0.263 17822 11712 1 18 . 1 1 33 33 SER H H 33 7.701 7.701 7.937 -0.236 17822 11713 1 18 . 1 1 34 34 MET N N 34 120.869 120.869 120.358 0.511 17822 11714 1 18 . 1 1 34 34 MET HA H 34 4.666 4.666 4.880 -0.214 17822 11715 1 18 . 1 1 34 34 MET CA C 34 54.799 54.799 53.059 1.740 17822 11716 1 18 . 1 1 34 34 MET CB C 34 34.700 34.700 33.720 0.980 17822 11717 1 18 . 1 1 34 34 MET H H 34 8.679 8.679 8.262 0.417 17822 11718 1 18 . 1 1 35 35 ILE N N 35 126.806 126.806 120.648 6.158 17822 11719 1 18 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.211 1.959 17822 11720 1 18 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.929 -0.027 17822 11721 1 18 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.631 -0.958 17822 11722 1 18 . 1 1 35 35 ILE H H 35 9.562 9.562 8.406 1.155 17822 11723 1 18 . 1 1 36 36 SER N N 36 122.217 122.217 123.474 -1.257 17822 11724 1 18 . 1 1 36 36 SER HA H 36 4.968 4.968 5.110 -0.142 17822 11725 1 18 . 1 1 36 36 SER CA C 36 56.602 56.602 57.043 -0.441 17822 11726 1 18 . 1 1 36 36 SER CB C 36 64.572 64.572 64.604 -0.032 17822 11727 1 18 . 1 1 36 36 SER H H 36 8.422 8.422 8.101 0.321 17822 11728 1 18 . 1 1 37 37 LEU N N 37 128.938 128.938 124.128 4.810 17822 11729 1 18 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.860 0.121 17822 11730 1 18 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.527 0.954 17822 11731 1 18 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.434 -0.058 17822 11732 1 18 . 1 1 37 37 LEU H H 37 8.916 8.916 7.695 1.221 17822 11733 1 18 . 1 1 38 38 ILE N N 38 128.296 128.296 114.820 13.476 17822 11734 1 18 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.942 0.030 17822 11735 1 18 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.740 0.105 17822 11736 1 18 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.037 -2.032 17822 11737 1 18 . 1 1 38 38 ILE H H 38 8.740 8.740 8.471 0.269 17822 11738 1 18 . 1 1 39 39 ILE N N 39 125.429 125.429 123.917 1.512 17822 11739 1 18 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.591 -0.192 17822 11740 1 18 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.611 -0.888 17822 11741 1 18 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.298 2.363 17822 11742 1 18 . 1 1 39 39 ILE H H 39 8.960 8.960 8.079 0.881 17822 11743 1 18 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.807 -0.400 17822 11744 1 18 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.510 5.672 17822 11745 1 18 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.171 0.201 17822 11746 1 18 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.379 -0.558 17822 11747 1 18 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.417 3.398 17822 11748 1 18 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.806 0.371 17822 11749 1 18 . 1 1 42 42 LYS N N 42 113.683 113.683 118.111 -4.428 17822 11750 1 18 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.425 -0.469 17822 11751 1 18 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.184 0.622 17822 11752 1 18 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.960 -1.778 17822 11753 1 18 . 1 1 42 42 LYS H H 42 8.004 8.004 8.367 -0.363 17822 11754 1 18 . 1 1 43 43 ASP N N 43 121.628 121.628 117.991 3.637 17822 11755 1 18 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.817 -0.382 17822 11756 1 18 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.401 -0.895 17822 11757 1 18 . 1 1 43 43 ASP CB C 43 42.215 42.215 44.035 -1.820 17822 11758 1 18 . 1 1 43 43 ASP H H 43 7.290 7.290 7.401 -0.111 17822 11759 1 18 . 1 1 44 44 GLN N N 44 117.587 117.587 118.694 -1.107 17822 11760 1 18 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.591 -0.054 17822 11761 1 18 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.590 -0.651 17822 11762 1 18 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.555 -0.011 17822 11763 1 18 . 1 1 44 44 GLN H H 44 9.610 9.610 8.428 1.182 17822 11764 1 18 . 1 1 45 45 ILE N N 45 126.939 126.939 124.098 2.841 17822 11765 1 18 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.662 -0.361 17822 11766 1 18 . 1 1 45 45 ILE CA C 45 63.284 63.284 64.473 -1.189 17822 11767 1 18 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.553 -1.920 17822 11768 1 18 . 1 1 45 45 ILE H H 45 8.806 8.806 8.861 -0.055 17822 11769 1 18 . 1 1 46 46 SER N N 46 113.239 113.239 114.283 -1.044 17822 11770 1 18 . 1 1 46 46 SER HA H 46 3.931 3.931 4.279 -0.348 17822 11771 1 18 . 1 1 46 46 SER CA C 46 60.762 60.762 61.779 -1.016 17822 11772 1 18 . 1 1 46 46 SER CB C 46 61.464 61.464 62.936 -1.472 17822 11773 1 18 . 1 1 46 46 SER H H 46 8.476 8.476 8.424 0.052 17822 11774 1 18 . 1 1 47 47 ARG N N 47 124.530 124.530 121.541 2.989 17822 11775 1 18 . 1 1 47 47 ARG HA H 47 3.791 3.791 3.975 -0.184 17822 11776 1 18 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.768 0.159 17822 11777 1 18 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.612 0.971 17822 11778 1 18 . 1 1 47 47 ARG H H 47 6.731 6.731 7.698 -0.967 17822 11779 1 18 . 1 1 48 48 VAL N N 48 121.935 121.935 119.360 2.575 17822 11780 1 18 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.673 -0.526 17822 11781 1 18 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.645 -0.438 17822 11782 1 18 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.628 -0.160 17822 11783 1 18 . 1 1 48 48 VAL H H 48 7.257 7.257 7.693 -0.436 17822 11784 1 18 . 1 1 49 49 ALA N N 49 122.345 122.345 119.810 2.535 17822 11785 1 18 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.016 -0.134 17822 11786 1 18 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.907 0.236 17822 11787 1 18 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.209 -0.559 17822 11788 1 18 . 1 1 49 49 ALA H H 49 8.864 8.864 7.719 1.145 17822 11789 1 18 . 1 1 50 50 LYS N N 50 120.376 120.376 119.518 0.858 17822 11790 1 18 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.107 -0.204 17822 11791 1 18 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.739 0.188 17822 11792 1 18 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.380 -0.794 17822 11793 1 18 . 1 1 50 50 LYS H H 50 7.380 7.380 7.929 -0.549 17822 11794 1 18 . 1 1 51 51 MET N N 51 121.641 121.641 117.900 3.741 17822 11795 1 18 . 1 1 51 51 MET HA H 51 3.935 3.935 4.209 -0.274 17822 11796 1 18 . 1 1 51 51 MET CA C 51 58.927 58.927 58.632 0.295 17822 11797 1 18 . 1 1 51 51 MET CB C 51 30.734 30.734 32.122 -1.388 17822 11798 1 18 . 1 1 51 51 MET H H 51 7.508 7.508 7.904 -0.396 17822 11799 1 18 . 1 1 52 52 LEU N N 52 120.125 120.125 119.969 0.156 17822 11800 1 18 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.299 -0.642 17822 11801 1 18 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.965 0.472 17822 11802 1 18 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.752 -0.198 17822 11803 1 18 . 1 1 52 52 LEU H H 52 8.203 8.203 7.833 0.370 17822 11804 1 18 . 1 1 53 53 ALA N N 53 123.639 123.639 122.102 1.537 17822 11805 1 18 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.920 0.025 17822 11806 1 18 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.319 -0.520 17822 11807 1 18 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.885 -0.636 17822 11808 1 18 . 1 1 53 53 ALA H H 53 7.775 7.775 7.434 0.341 17822 11809 1 18 . 1 1 54 54 ASP N N 54 123.165 123.165 118.048 5.117 17822 11810 1 18 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.395 -0.066 17822 11811 1 18 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.348 -0.141 17822 11812 1 18 . 1 1 54 54 ASP CB C 54 39.105 39.105 41.033 -1.928 17822 11813 1 18 . 1 1 54 54 ASP H H 54 8.156 8.156 7.734 0.422 17822 11814 1 18 . 1 1 55 55 GLU N N 55 122.017 122.017 119.214 2.803 17822 11815 1 18 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.050 -0.174 17822 11816 1 18 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.969 -0.386 17822 11817 1 18 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.377 -0.358 17822 11818 1 18 . 1 1 55 55 GLU H H 55 8.221 8.221 7.677 0.544 17822 11819 1 18 . 1 1 56 56 PHE N N 56 123.334 123.334 121.427 1.907 17822 11820 1 18 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.316 0.365 17822 11821 1 18 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.294 0.221 17822 11822 1 18 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.922 0.290 17822 11823 1 18 . 1 1 56 56 PHE H H 56 8.711 8.711 7.928 0.783 17822 11824 1 18 . 1 1 57 57 GLY N N 57 107.156 107.156 105.765 1.391 17822 11825 1 18 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.598 -0.115 17822 11826 1 18 . 1 1 57 57 GLY H H 57 7.985 7.985 8.071 -0.086 17822 11827 1 18 . 1 1 58 58 THR N N 58 118.940 118.940 118.319 0.621 17822 11828 1 18 . 1 1 58 58 THR HA H 58 4.062 4.062 4.159 -0.097 17822 11829 1 18 . 1 1 58 58 THR CA C 58 65.406 65.406 65.474 -0.068 17822 11830 1 18 . 1 1 58 58 THR CB C 58 68.408 68.408 68.517 -0.109 17822 11831 1 18 . 1 1 58 58 THR H H 58 7.992 7.992 7.666 0.326 17822 11832 1 18 . 1 1 59 59 ALA N N 59 126.365 126.365 124.252 2.113 17822 11833 1 18 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.071 -0.143 17822 11834 1 18 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.914 -0.975 17822 11835 1 18 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.598 0.553 17822 11836 1 18 . 1 1 59 59 ALA H H 59 8.351 8.351 7.776 0.575 17822 11837 1 18 . 1 1 60 60 SER N N 60 112.435 112.435 112.259 0.176 17822 11838 1 18 . 1 1 60 60 SER HA H 60 4.632 4.632 4.120 0.512 17822 11839 1 18 . 1 1 60 60 SER CA C 60 61.220 61.220 59.734 1.486 17822 11840 1 18 . 1 1 60 60 SER CB C 60 62.686 62.686 62.867 -0.181 17822 11841 1 18 . 1 1 60 60 SER H H 60 7.459 7.459 7.585 -0.126 17822 11842 1 18 . 1 1 61 61 ASN N N 61 116.971 116.971 118.094 -1.123 17822 11843 1 18 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.640 -0.127 17822 11844 1 18 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.926 -0.904 17822 11845 1 18 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.778 0.227 17822 11846 1 18 . 1 1 61 61 ASN H H 61 7.372 7.372 7.831 -0.459 17822 11847 1 18 . 1 1 62 62 ILE N N 62 123.980 123.980 121.893 2.087 17822 11848 1 18 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.835 -0.199 17822 11849 1 18 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.409 1.019 17822 11850 1 18 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.002 -0.571 17822 11851 1 18 . 1 1 62 62 ILE H H 62 7.461 7.461 7.518 -0.057 17822 11852 1 18 . 1 1 63 63 LYS N N 63 128.982 128.982 125.233 3.749 17822 11853 1 18 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.177 -0.380 17822 11854 1 18 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.867 0.832 17822 11855 1 18 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.628 0.078 17822 11856 1 18 . 1 1 63 63 LYS H H 63 8.417 8.417 8.364 0.053 17822 11857 1 18 . 1 1 64 64 SER N N 64 114.306 114.306 118.619 -4.313 17822 11858 1 18 . 1 1 64 64 SER HA H 64 4.616 4.616 4.538 0.078 17822 11859 1 18 . 1 1 64 64 SER CA C 64 56.749 56.749 57.367 -0.618 17822 11860 1 18 . 1 1 64 64 SER CB C 64 62.962 62.962 63.287 -0.325 17822 11861 1 18 . 1 1 64 64 SER H H 64 7.599 7.599 8.014 -0.415 17822 11862 1 18 . 1 1 65 65 ARG N N 65 132.125 132.125 128.197 3.928 17822 11863 1 18 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.871 0.435 17822 11864 1 18 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.813 0.089 17822 11865 1 18 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.806 3.292 17822 11866 1 18 . 1 1 65 65 ARG H H 65 8.689 8.689 8.786 -0.097 17822 11867 1 18 . 1 1 66 66 VAL N N 66 116.947 116.947 118.999 -2.052 17822 11868 1 18 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.636 -0.085 17822 11869 1 18 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.134 -0.671 17822 11870 1 18 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.707 0.879 17822 11871 1 18 . 1 1 66 66 VAL H H 66 7.946 7.946 8.288 -0.342 17822 11872 1 18 . 1 1 67 67 ASN N N 67 119.499 119.499 117.096 2.403 17822 11873 1 18 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.371 0.041 17822 11874 1 18 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.084 -0.711 17822 11875 1 18 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.234 -0.198 17822 11876 1 18 . 1 1 67 67 ASN H H 67 7.386 7.386 7.790 -0.404 17822 11877 1 18 . 1 1 68 68 ARG N N 68 122.132 122.132 121.381 0.751 17822 11878 1 18 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.952 -0.358 17822 11879 1 18 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.350 0.448 17822 11880 1 18 . 1 1 68 68 ARG CB C 68 30.559 30.559 29.967 0.592 17822 11881 1 18 . 1 1 68 68 ARG H H 68 8.566 8.566 7.887 0.679 17822 11882 1 18 . 1 1 69 69 LEU N N 69 116.564 116.564 117.853 -1.289 17822 11883 1 18 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.277 -0.493 17822 11884 1 18 . 1 1 69 69 LEU CA C 69 57.895 57.895 56.753 1.142 17822 11885 1 18 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.904 -0.295 17822 11886 1 18 . 1 1 69 69 LEU H H 69 8.167 8.167 8.605 -0.438 17822 11887 1 18 . 1 1 70 70 SER N N 70 116.805 116.805 115.529 1.276 17822 11888 1 18 . 1 1 70 70 SER HA H 70 4.132 4.132 4.283 -0.151 17822 11889 1 18 . 1 1 70 70 SER CA C 70 61.450 61.450 61.149 0.301 17822 11890 1 18 . 1 1 70 70 SER CB C 70 62.635 62.635 63.475 -0.840 17822 11891 1 18 . 1 1 70 70 SER H H 70 7.589 7.589 7.920 -0.331 17822 11892 1 18 . 1 1 71 71 VAL N N 71 124.991 124.991 122.421 2.570 17822 11893 1 18 . 1 1 71 71 VAL HA H 71 3.483 3.483 4.141 -0.658 17822 11894 1 18 . 1 1 71 71 VAL CA C 71 66.839 66.839 63.380 3.459 17822 11895 1 18 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.652 -0.003 17822 11896 1 18 . 1 1 71 71 VAL H H 71 7.934 7.934 8.052 -0.118 17822 11897 1 18 . 1 1 72 72 LEU N N 72 118.680 118.680 121.390 -2.710 17822 11898 1 18 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.163 -0.442 17822 11899 1 18 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.735 0.504 17822 11900 1 18 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.260 -0.961 17822 11901 1 18 . 1 1 72 72 LEU H H 72 8.354 8.354 8.365 -0.011 17822 11902 1 18 . 1 1 73 73 GLY N N 73 106.674 106.674 106.042 0.632 17822 11903 1 18 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.914 0.031 17822 11904 1 18 . 1 1 73 73 GLY H H 73 8.052 8.052 7.866 0.186 17822 11905 1 18 . 1 1 74 74 ALA N N 74 127.313 127.313 124.611 2.702 17822 11906 1 18 . 1 1 74 74 ALA HA H 74 4.153 4.153 3.990 0.163 17822 11907 1 18 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.861 0.512 17822 11908 1 18 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.603 -0.797 17822 11909 1 18 . 1 1 74 74 ALA H H 74 7.784 7.784 7.429 0.355 17822 11910 1 18 . 1 1 75 75 ILE N N 75 119.310 119.310 118.771 0.539 17822 11911 1 18 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.627 -0.265 17822 11912 1 18 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.593 1.017 17822 11913 1 18 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.153 0.271 17822 11914 1 18 . 1 1 75 75 ILE H H 75 8.638 8.638 7.793 0.845 17822 11915 1 18 . 1 1 76 76 THR N N 76 116.205 116.205 111.346 4.859 17822 11916 1 18 . 1 1 76 76 THR HA H 76 4.227 4.227 3.951 0.276 17822 11917 1 18 . 1 1 76 76 THR CA C 76 66.782 66.782 66.356 0.426 17822 11918 1 18 . 1 1 76 76 THR CB C 76 68.478 68.478 68.348 0.130 17822 11919 1 18 . 1 1 76 76 THR H H 76 8.317 8.317 7.869 0.448 17822 11920 1 18 . 1 1 77 77 SER N N 77 118.405 118.405 118.288 0.117 17822 11921 1 18 . 1 1 77 77 SER HA H 77 4.173 4.173 4.169 0.004 17822 11922 1 18 . 1 1 77 77 SER CA C 77 62.482 62.482 61.369 1.113 17822 11923 1 18 . 1 1 77 77 SER CB C 77 63.484 63.484 63.156 0.328 17822 11924 1 18 . 1 1 77 77 SER H H 77 7.843 7.843 7.730 0.113 17822 11925 1 18 . 1 1 78 78 VAL N N 78 124.171 124.171 122.876 1.295 17822 11926 1 18 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.711 -0.138 17822 11927 1 18 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.436 1.288 17822 11928 1 18 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.514 -0.530 17822 11929 1 18 . 1 1 78 78 VAL H H 78 8.153 8.153 8.600 -0.447 17822 11930 1 18 . 1 1 79 79 GLN N N 79 120.008 120.008 118.638 1.370 17822 11931 1 18 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.839 0.090 17822 11932 1 18 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.731 -0.345 17822 11933 1 18 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.519 0.260 17822 11934 1 18 . 1 1 79 79 GLN H H 79 8.688 8.688 8.479 0.209 17822 11935 1 18 . 1 1 80 80 GLN N N 80 116.870 116.870 118.007 -1.137 17822 11936 1 18 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.024 -0.249 17822 11937 1 18 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.927 -0.401 17822 11938 1 18 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.431 -0.454 17822 11939 1 18 . 1 1 80 80 GLN H H 80 7.850 7.850 7.671 0.179 17822 11940 1 18 . 1 1 81 81 ARG N N 81 119.074 119.074 119.707 -0.633 17822 11941 1 18 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.100 -0.108 17822 11942 1 18 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.825 -2.191 17822 11943 1 18 . 1 1 81 81 ARG CB C 81 28.322 28.322 29.955 -1.633 17822 11944 1 18 . 1 1 81 81 ARG H H 81 7.520 7.520 7.411 0.109 17822 11945 1 18 . 1 1 82 82 LEU N N 82 117.238 117.238 118.263 -1.025 17822 11946 1 18 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.220 -0.329 17822 11947 1 18 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.135 -0.698 17822 11948 1 18 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.023 -0.212 17822 11949 1 18 . 1 1 82 82 LEU H H 82 8.189 8.189 8.000 0.189 17822 11950 1 18 . 1 1 83 83 LYS N N 83 114.899 114.899 119.589 -4.690 17822 11951 1 18 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.068 -0.123 17822 11952 1 18 . 1 1 83 83 LYS CA C 83 57.666 57.666 59.051 -1.385 17822 11953 1 18 . 1 1 83 83 LYS CB C 83 31.987 31.987 31.930 0.056 17822 11954 1 18 . 1 1 83 83 LYS H H 83 7.064 7.064 7.514 -0.450 17822 11955 1 18 . 1 1 84 84 LEU N N 84 117.840 117.840 119.514 -1.674 17822 11956 1 18 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.113 -0.240 17822 11957 1 18 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.941 -1.626 17822 11958 1 18 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.003 -0.074 17822 11959 1 18 . 1 1 84 84 LEU H H 84 7.271 7.271 7.786 -0.515 17822 11960 1 18 . 1 1 85 85 TYR N N 85 119.720 119.720 117.009 2.711 17822 11961 1 18 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.334 -0.079 17822 11962 1 18 . 1 1 85 85 TYR CA C 85 58.067 58.067 59.497 -1.430 17822 11963 1 18 . 1 1 85 85 TYR CB C 85 39.068 39.068 38.647 0.421 17822 11964 1 18 . 1 1 85 85 TYR H H 85 7.633 7.633 7.491 0.142 17822 11965 1 18 . 1 1 86 86 ASN N N 86 119.638 119.638 114.849 4.789 17822 11966 1 18 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.359 0.115 17822 11967 1 18 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.230 -0.347 17822 11968 1 18 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.170 0.572 17822 11969 1 18 . 1 1 86 86 ASN H H 86 8.622 8.622 8.271 0.351 17822 11970 1 18 . 1 1 87 87 LYS N N 87 116.321 116.321 118.004 -1.683 17822 11971 1 18 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.593 -0.095 17822 11972 1 18 . 1 1 87 87 LYS CA C 87 54.169 54.169 54.800 -0.631 17822 11973 1 18 . 1 1 87 87 LYS CB C 87 34.673 34.673 35.846 -1.173 17822 11974 1 18 . 1 1 87 87 LYS H H 87 7.631 7.631 7.764 -0.133 17822 11975 1 18 . 1 1 88 88 VAL N N 88 125.141 125.141 118.512 6.629 17822 11976 1 18 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.523 -0.901 17822 11977 1 18 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.638 3.328 17822 11978 1 18 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.959 0.329 17822 11979 1 18 . 1 1 88 88 VAL H H 88 8.357 8.357 8.390 -0.033 17822 11980 1 18 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.694 -0.441 17822 11981 1 18 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.303 2.037 17822 11982 1 18 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.976 0.578 17822 11983 1 18 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.237 0.263 17822 11984 1 18 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.124 0.855 17822 11985 1 18 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.032 0.156 17822 11986 1 18 . 1 1 91 91 ASN N N 91 112.735 112.735 115.326 -2.591 17822 11987 1 18 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.604 0.051 17822 11988 1 18 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.025 -1.150 17822 11989 1 18 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.725 -0.282 17822 11990 1 18 . 1 1 91 91 ASN H H 91 9.163 9.163 8.348 0.815 17822 11991 1 18 . 1 1 92 92 GLY N N 92 108.893 108.893 106.636 2.257 17822 11992 1 18 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.923 -1.482 17822 11993 1 18 . 1 1 92 92 GLY H H 92 7.898 7.898 7.346 0.552 17822 11994 1 18 . 1 1 93 93 LEU N N 93 117.751 117.751 125.648 -7.897 17822 11995 1 18 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.161 0.163 17822 11996 1 18 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.288 -0.520 17822 11997 1 18 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.068 5.459 17822 11998 1 18 . 1 1 93 93 LEU H H 93 8.508 8.508 7.624 0.884 17822 11999 1 18 . 1 1 94 94 VAL N N 94 126.296 126.296 129.324 -3.028 17822 12000 1 18 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.568 -0.218 17822 12001 1 18 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.553 -1.078 17822 12002 1 18 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.423 -0.255 17822 12003 1 18 . 1 1 94 94 VAL H H 94 8.168 8.168 7.869 0.299 17822 12004 1 18 . 1 1 95 95 VAL N N 95 125.531 125.531 117.881 7.650 17822 12005 1 18 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.189 -1.049 17822 12006 1 18 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.853 0.450 17822 12007 1 18 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.659 0.536 17822 12008 1 18 . 1 1 95 95 VAL H H 95 8.744 8.744 8.208 0.536 17822 12009 1 18 . 1 1 96 96 TYR N N 96 123.577 123.577 122.702 0.875 17822 12010 1 18 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.652 -0.320 17822 12011 1 18 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.830 0.747 17822 12012 1 18 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.700 -1.079 17822 12013 1 18 . 1 1 96 96 TYR H H 96 8.698 8.698 9.249 -0.551 17822 12014 1 18 . 1 1 97 97 CYS N N 97 120.144 120.144 121.676 -1.532 17822 12015 1 18 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.756 -0.208 17822 12016 1 18 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.888 -1.311 17822 12017 1 18 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.980 0.806 17822 12018 1 18 . 1 1 97 97 CYS H H 97 8.796 8.796 8.509 0.287 17822 12019 1 18 . 1 1 98 98 GLY N N 98 112.534 112.534 112.620 -0.086 17822 12020 1 18 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.170 0.628 17822 12021 1 18 . 1 1 98 98 GLY H H 98 8.776 8.776 8.097 0.679 17822 12022 1 18 . 1 1 99 99 THR N N 99 119.083 119.083 116.331 2.752 17822 12023 1 18 . 1 1 99 99 THR HA H 99 4.821 4.821 5.313 -0.492 17822 12024 1 18 . 1 1 99 99 THR CA C 99 62.294 62.294 61.514 0.780 17822 12025 1 18 . 1 1 99 99 THR CB C 99 69.781 69.781 70.893 -1.112 17822 12026 1 18 . 1 1 99 99 THR H H 99 8.168 8.168 8.307 -0.139 17822 12027 1 18 . 1 1 100 100 ILE N N 100 122.250 122.250 124.171 -1.921 17822 12028 1 18 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.636 -0.059 17822 12029 1 18 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.541 0.042 17822 12030 1 18 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.419 0.090 17822 12031 1 18 . 1 1 100 100 ILE H H 100 8.838 8.838 8.730 0.108 17822 12032 1 18 . 1 1 101 101 VAL N N 101 120.622 120.622 124.119 -3.497 17822 12033 1 18 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.790 -0.140 17822 12034 1 18 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.331 1.260 17822 12035 1 18 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.609 -1.720 17822 12036 1 18 . 1 1 101 101 VAL H H 101 8.310 8.310 8.343 -0.033 17822 12037 1 18 . 1 1 102 102 THR N N 102 118.661 118.661 121.467 -2.806 17822 12038 1 18 . 1 1 102 102 THR HA H 102 4.658 4.658 4.703 -0.045 17822 12039 1 18 . 1 1 102 102 THR CA C 102 60.590 60.590 59.989 0.601 17822 12040 1 18 . 1 1 102 102 THR CB C 102 71.189 71.189 70.517 0.672 17822 12041 1 18 . 1 1 102 102 THR H H 102 8.867 8.867 8.160 0.707 17822 12042 1 18 . 1 1 103 103 GLU N N 103 121.906 121.906 121.569 0.337 17822 12043 1 18 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.050 -0.132 17822 12044 1 18 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.881 0.046 17822 12045 1 18 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.262 -0.332 17822 12046 1 18 . 1 1 103 103 GLU H H 103 9.243 9.243 8.758 0.485 17822 12047 1 18 . 1 1 104 104 GLU N N 104 116.013 116.013 119.199 -3.186 17822 12048 1 18 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.145 0.029 17822 12049 1 18 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.097 0.136 17822 12050 1 18 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.219 0.248 17822 12051 1 18 . 1 1 104 104 GLU H H 104 7.716 7.716 7.811 -0.095 17822 12052 1 18 . 1 1 105 105 GLY N N 105 109.001 109.001 107.616 1.385 17822 12053 1 18 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.213 -0.508 17822 12054 1 18 . 1 1 105 105 GLY H H 105 8.045 8.045 7.871 0.174 17822 12055 1 18 . 1 1 106 106 LYS N N 106 119.559 119.559 118.696 0.863 17822 12056 1 18 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.667 -0.336 17822 12057 1 18 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.455 0.000 17822 12058 1 18 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.585 -0.163 17822 12059 1 18 . 1 1 106 106 LYS H H 106 6.924 6.924 7.553 -0.629 17822 12060 1 18 . 1 1 107 107 GLU N N 107 121.771 121.771 124.974 -3.203 17822 12061 1 18 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.344 0.610 17822 12062 1 18 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.385 -0.783 17822 12063 1 18 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.465 0.820 17822 12064 1 18 . 1 1 107 107 GLU H H 107 8.371 8.371 8.701 -0.330 17822 12065 1 18 . 1 1 108 108 LYS N N 108 125.216 125.216 121.247 3.969 17822 12066 1 18 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.397 0.043 17822 12067 1 18 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.496 -0.410 17822 12068 1 18 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.408 1.507 17822 12069 1 18 . 1 1 108 108 LYS H H 108 8.946 8.946 8.035 0.911 17822 12070 1 18 . 1 1 109 109 LYS N N 109 125.136 125.136 128.767 -3.631 17822 12071 1 18 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.505 0.131 17822 12072 1 18 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.550 -0.776 17822 12073 1 18 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.703 0.097 17822 12074 1 18 . 1 1 109 109 LYS H H 109 8.548 8.548 8.541 0.007 17822 12075 1 18 . 1 1 110 110 VAL N N 110 125.626 125.626 128.188 -2.562 17822 12076 1 18 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.080 -0.004 17822 12077 1 18 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.314 -0.750 17822 12078 1 18 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.687 1.205 17822 12079 1 18 . 1 1 110 110 VAL H H 110 8.850 8.850 9.039 -0.189 17822 12080 1 18 . 1 1 111 111 ASN N N 111 126.837 126.837 126.185 0.652 17822 12081 1 18 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.448 -0.160 17822 12082 1 18 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.161 1.148 17822 12083 1 18 . 1 1 111 111 ASN CB C 111 40.469 40.469 39.998 0.471 17822 12084 1 18 . 1 1 111 111 ASN H H 111 8.711 8.711 8.415 0.296 17822 12085 1 18 . 1 1 112 112 ILE N N 112 125.729 125.729 124.223 1.506 17822 12086 1 18 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.391 -0.007 17822 12087 1 18 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.135 -0.946 17822 12088 1 18 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.462 0.390 17822 12089 1 18 . 1 1 112 112 ILE H H 112 8.931 8.931 8.412 0.519 17822 12090 1 18 . 1 1 113 113 ASP N N 113 122.734 122.734 126.839 -4.105 17822 12091 1 18 . 1 1 113 113 ASP HA H 113 5.790 5.790 6.009 -0.219 17822 12092 1 18 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.617 -1.412 17822 12093 1 18 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.360 -0.839 17822 12094 1 18 . 1 1 113 113 ASP H H 113 8.116 8.116 8.534 -0.418 17822 12095 1 18 . 1 1 114 114 PHE N N 114 116.385 116.385 119.254 -2.869 17822 12096 1 18 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.881 -0.178 17822 12097 1 18 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.661 -0.199 17822 12098 1 18 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.786 -1.079 17822 12099 1 18 . 1 1 114 114 PHE H H 114 8.613 8.613 8.483 0.130 17822 12100 1 18 . 1 1 115 115 GLU N N 115 124.642 124.642 120.466 4.176 17822 12101 1 18 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.355 0.438 17822 12102 1 18 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.474 -1.771 17822 12103 1 18 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.433 1.692 17822 12104 1 18 . 1 1 115 115 GLU H H 115 8.591 8.591 8.365 0.226 17822 12105 1 18 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.229 0.354 17822 12106 1 18 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.500 -0.149 17822 12107 1 18 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.277 -1.315 17822 12108 1 18 . 1 1 117 117 PHE N N 117 116.676 116.676 112.781 3.895 17822 12109 1 18 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.576 -0.382 17822 12110 1 18 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.562 1.077 17822 12111 1 18 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.286 -1.534 17822 12112 1 18 . 1 1 117 117 PHE H H 117 7.842 7.842 8.262 -0.420 17822 12113 1 18 . 1 1 118 118 LYS N N 118 118.589 118.589 119.848 -1.259 17822 12114 1 18 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.287 -0.104 17822 12115 1 18 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.450 -0.116 17822 12116 1 18 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.846 1.347 17822 12117 1 18 . 1 1 118 118 LYS H H 118 6.889 6.889 7.035 -0.146 17822 12118 1 18 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.497 0.026 17822 12119 1 18 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.075 0.541 17822 12120 1 18 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.492 -0.320 17822 12121 1 18 . 1 1 120 120 ILE N N 120 121.968 121.968 121.128 0.840 17822 12122 1 18 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.179 -0.273 17822 12123 1 18 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.928 1.490 17822 12124 1 18 . 1 1 120 120 ILE CB C 120 38.805 38.805 39.116 -0.311 17822 12125 1 18 . 1 1 120 120 ILE H H 120 7.440 7.440 7.902 -0.462 17822 12126 1 18 . 1 1 121 121 ASN N N 121 120.951 120.951 127.199 -6.248 17822 12127 1 18 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.385 0.247 17822 12128 1 18 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.174 -1.292 17822 12129 1 18 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.622 0.676 17822 12130 1 18 . 1 1 121 121 ASN H H 121 8.112 8.112 8.774 -0.662 17822 12131 1 18 . 1 1 122 122 GLN N N 122 118.826 118.826 115.604 3.222 17822 12132 1 18 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.482 -0.070 17822 12133 1 18 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.724 -0.326 17822 12134 1 18 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.703 -0.217 17822 12135 1 18 . 1 1 122 122 GLN H H 122 7.009 7.009 7.675 -0.666 17822 12136 1 18 . 1 1 123 123 PHE N N 123 122.795 122.795 119.667 3.128 17822 12137 1 18 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.479 0.235 17822 12138 1 18 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.270 -1.063 17822 12139 1 18 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.050 0.668 17822 12140 1 18 . 1 1 123 123 PHE H H 123 8.335 8.335 8.921 -0.586 17822 12141 1 18 . 1 1 124 124 MET N N 124 126.990 126.990 126.599 0.391 17822 12142 1 18 . 1 1 124 124 MET HA H 124 3.984 3.984 4.443 -0.459 17822 12143 1 18 . 1 1 124 124 MET CA C 124 54.799 54.799 54.362 0.437 17822 12144 1 18 . 1 1 124 124 MET CB C 124 37.330 37.330 36.264 1.066 17822 12145 1 18 . 1 1 124 124 MET H H 124 7.992 7.992 8.442 -0.450 17822 12146 1 18 . 1 1 125 125 TYR N N 125 122.216 122.216 124.840 -2.624 17822 12147 1 18 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.471 0.433 17822 12148 1 18 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.294 -0.545 17822 12149 1 18 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.272 0.881 17822 12150 1 18 . 1 1 125 125 TYR H H 125 7.552 7.552 8.103 -0.551 17822 12151 1 18 . 1 1 126 126 PHE N N 126 124.584 124.584 118.800 5.784 17822 12152 1 18 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.718 -0.643 17822 12153 1 18 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.684 0.721 17822 12154 1 18 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.690 3.729 17822 12155 1 18 . 1 1 126 126 PHE H H 126 8.271 8.271 6.516 1.755 17822 12156 1 18 . 1 1 127 127 CYS N N 127 124.011 124.011 118.880 5.131 17822 12157 1 18 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.703 0.093 17822 12158 1 18 . 1 1 127 127 CYS CA C 127 57.840 57.840 56.180 1.660 17822 12159 1 18 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.530 -4.599 17822 12160 1 18 . 1 1 127 127 CYS H H 127 8.442 8.442 8.795 -0.353 17822 12161 1 18 . 1 1 128 128 ASP N N 128 127.486 127.486 121.676 5.810 17822 12162 1 18 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.545 0.461 17822 12163 1 18 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.398 -1.892 17822 12164 1 18 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.778 2.618 17822 12165 1 18 . 1 1 128 128 ASP H H 128 8.907 8.907 8.442 0.465 17822 12166 1 18 . 1 1 129 129 ASN N N 129 119.092 119.092 117.430 1.662 17822 12167 1 18 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.336 0.328 17822 12168 1 18 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.522 -1.787 17822 12169 1 18 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.668 0.234 17822 12170 1 18 . 1 1 129 129 ASN H H 129 9.136 9.136 8.581 0.555 17822 12171 1 18 . 1 1 130 130 LYS N N 130 114.367 114.367 113.997 0.370 17822 12172 1 18 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.426 -0.263 17822 12173 1 18 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.136 -0.910 17822 12174 1 18 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.404 -0.312 17822 12175 1 18 . 1 1 130 130 LYS H H 130 7.115 7.115 7.036 0.079 17822 12176 1 18 . 1 1 131 131 PHE N N 131 121.117 121.117 121.061 0.056 17822 12177 1 18 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.618 -0.103 17822 12178 1 18 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.997 -1.847 17822 12179 1 18 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.417 -1.328 17822 12180 1 18 . 1 1 131 131 PHE H H 131 9.291 9.291 8.898 0.393 17822 12181 1 18 . 1 1 132 132 HIS N N 132 121.897 121.897 125.195 -3.298 17822 12182 1 18 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.877 -0.494 17822 12183 1 18 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.619 0.384 17822 12184 1 18 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.069 -1.726 17822 12185 1 18 . 1 1 132 132 HIS H H 132 9.026 9.026 8.384 0.642 17822 12186 1 18 . 1 1 133 133 THR N N 133 117.915 117.915 117.439 0.476 17822 12187 1 18 . 1 1 133 133 THR HA H 133 4.612 4.612 4.720 -0.108 17822 12188 1 18 . 1 1 133 133 THR CA C 133 61.679 61.679 61.569 0.110 17822 12189 1 18 . 1 1 133 133 THR CB C 133 73.856 73.856 70.745 3.111 17822 12190 1 18 . 1 1 133 133 THR H H 133 8.700 8.700 8.410 0.290 17822 12191 1 18 . 1 1 134 134 GLU N N 134 129.072 129.072 128.538 0.534 17822 12192 1 18 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.221 -0.242 17822 12193 1 18 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.112 1.421 17822 12194 1 18 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.854 -2.351 17822 12195 1 18 . 1 1 134 134 GLU H H 134 10.805 10.805 8.774 2.031 17822 12196 1 18 . 1 1 135 135 ALA N N 135 122.099 122.099 122.148 -0.049 17822 12197 1 18 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.045 0.026 17822 12198 1 18 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.161 -0.648 17822 12199 1 18 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.721 1.040 17822 12200 1 18 . 1 1 135 135 ALA H H 135 8.590 8.590 8.663 -0.073 17822 12201 1 18 . 1 1 136 136 LEU N N 136 116.720 116.720 118.097 -1.377 17822 12202 1 18 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.998 0.056 17822 12203 1 18 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.962 -1.385 17822 12204 1 18 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.527 -0.216 17822 12205 1 18 . 1 1 136 136 LEU H H 136 7.471 7.471 7.767 -0.296 17822 12206 1 18 . 1 1 137 137 THR N N 137 117.177 117.177 113.039 4.138 17822 12207 1 18 . 1 1 137 137 THR HA H 137 4.005 4.005 4.047 -0.042 17822 12208 1 18 . 1 1 137 137 THR CA C 137 66.610 66.610 65.442 1.168 17822 12209 1 18 . 1 1 137 137 THR CB C 137 67.980 67.980 68.966 -0.986 17822 12210 1 18 . 1 1 137 137 THR H H 137 8.044 8.044 7.630 0.414 17822 12211 1 18 . 1 1 138 138 ALA N N 138 124.719 124.719 123.523 1.196 17822 12212 1 18 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.212 -0.211 17822 12213 1 18 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.369 0.545 17822 12214 1 18 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.915 -1.418 17822 12215 1 18 . 1 1 138 138 ALA H H 138 7.695 7.695 8.102 -0.407 17822 12216 1 18 . 1 1 139 139 LEU N N 139 120.059 120.059 120.843 -0.784 17822 12217 1 18 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.006 -0.007 17822 12218 1 18 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.155 -0.661 17822 12219 1 18 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.818 0.994 17822 12220 1 18 . 1 1 139 139 LEU H H 139 7.345 7.345 8.372 -1.027 17822 12221 1 18 . 1 1 140 140 LEU N N 140 117.771 117.771 118.914 -1.143 17822 12222 1 18 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.065 -0.108 17822 12223 1 18 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.566 -1.588 17822 12224 1 18 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.764 0.475 17822 12225 1 18 . 1 1 140 140 LEU H H 140 7.748 7.748 7.871 -0.123 17822 12226 1 18 . 1 1 141 141 SER N N 141 114.778 114.778 113.233 1.545 17822 12227 1 18 . 1 1 141 141 SER HA H 141 4.107 4.107 4.308 -0.201 17822 12228 1 18 . 1 1 141 141 SER CA C 141 60.647 60.647 60.703 -0.056 17822 12229 1 18 . 1 1 141 141 SER CB C 141 62.650 62.650 63.079 -0.429 17822 12230 1 18 . 1 1 141 141 SER H H 141 7.807 7.807 7.560 0.247 17822 12231 1 18 . 1 1 142 142 ASP N N 142 121.827 121.827 120.851 0.976 17822 12232 1 18 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.579 -0.221 17822 12233 1 18 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.368 -0.307 17822 12234 1 18 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.199 -0.590 17822 12235 1 18 . 1 1 142 142 ASP H H 142 7.878 7.878 8.179 -0.301 17822 12236 1 18 . 1 1 143 143 LEU N N 143 120.220 120.220 119.829 0.391 17822 12237 1 18 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.276 -0.304 17822 12238 1 18 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.785 -0.323 17822 12239 1 18 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.937 -0.723 17822 12240 1 18 . 1 1 143 143 LEU H H 143 7.846 7.846 8.309 -0.463 17822 12241 1 19 . 1 1 2 2 ALA N N 2 125.964 125.964 125.463 0.501 17822 12242 1 19 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.777 -0.165 17822 12243 1 19 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.720 0.572 17822 12244 1 19 . 1 1 2 2 ALA H H 2 8.065 8.065 8.280 -0.215 17822 12245 1 19 . 1 1 3 3 ASP N N 3 119.188 119.188 120.315 -1.127 17822 12246 1 19 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.635 -0.025 17822 12247 1 19 . 1 1 3 3 ASP CA C 3 53.882 53.882 53.917 -0.035 17822 12248 1 19 . 1 1 3 3 ASP CB C 3 40.810 40.810 42.559 -1.749 17822 12249 1 19 . 1 1 3 3 ASP H H 3 8.203 8.203 8.250 -0.047 17822 12250 1 19 . 1 1 4 4 ASP N N 4 121.607 121.607 122.707 -1.100 17822 12251 1 19 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.917 -0.545 17822 12252 1 19 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.227 -0.466 17822 12253 1 19 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.218 -1.308 17822 12254 1 19 . 1 1 4 4 ASP H H 4 7.954 7.954 8.473 -0.519 17822 12255 1 19 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.457 -0.205 17822 12256 1 19 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.847 -1.479 17822 12257 1 19 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.117 -0.258 17822 12258 1 19 . 1 1 6 6 SER N N 6 115.864 115.864 113.834 2.030 17822 12259 1 19 . 1 1 6 6 SER HA H 6 4.252 4.252 4.373 -0.121 17822 12260 1 19 . 1 1 6 6 SER CA C 6 58.870 58.870 59.882 -1.012 17822 12261 1 19 . 1 1 6 6 SER CB C 6 63.368 63.368 62.592 0.776 17822 12262 1 19 . 1 1 6 6 SER H H 6 8.310 8.310 8.106 0.204 17822 12263 1 19 . 1 1 7 7 ALA N N 7 125.955 125.955 124.085 1.870 17822 12264 1 19 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.141 -0.142 17822 12265 1 19 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.959 -0.650 17822 12266 1 19 . 1 1 7 7 ALA CB C 7 18.551 18.551 17.758 0.793 17822 12267 1 19 . 1 1 7 7 ALA H H 7 7.854 7.854 8.408 -0.554 17822 12268 1 19 . 1 1 8 8 ALA N N 8 122.354 122.354 122.520 -0.166 17822 12269 1 19 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.141 -0.344 17822 12270 1 19 . 1 1 8 8 ALA CA C 8 53.595 53.595 54.846 -1.251 17822 12271 1 19 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.243 0.209 17822 12272 1 19 . 1 1 8 8 ALA H H 8 7.910 7.910 7.821 0.089 17822 12273 1 19 . 1 1 9 9 ASP N N 9 119.431 119.431 117.796 1.635 17822 12274 1 19 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.342 -0.023 17822 12275 1 19 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.306 -2.163 17822 12276 1 19 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.317 0.306 17822 12277 1 19 . 1 1 9 9 ASP H H 9 7.970 7.970 7.891 0.079 17822 12278 1 19 . 1 1 10 10 ARG N N 10 122.263 122.263 120.574 1.689 17822 12279 1 19 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.279 -0.443 17822 12280 1 19 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.951 -1.170 17822 12281 1 19 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.566 -0.685 17822 12282 1 19 . 1 1 10 10 ARG H H 10 8.036 8.036 8.088 -0.052 17822 12283 1 19 . 1 1 11 11 ASN N N 11 118.325 118.325 117.751 0.574 17822 12284 1 19 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.440 -0.137 17822 12285 1 19 . 1 1 11 11 ASN CA C 11 55.143 55.143 56.020 -0.877 17822 12286 1 19 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.464 -0.662 17822 12287 1 19 . 1 1 11 11 ASN H H 11 8.077 8.077 7.712 0.365 17822 12288 1 19 . 1 1 12 12 VAL N N 12 122.103 122.103 121.012 1.091 17822 12289 1 19 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.594 1.021 17822 12290 1 19 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.521 -0.900 17822 12291 1 19 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.536 -0.050 17822 12292 1 19 . 1 1 12 12 VAL H H 12 7.741 7.741 8.226 -0.485 17822 12293 1 19 . 1 1 13 13 GLU N N 13 120.785 120.785 119.559 1.226 17822 12294 1 19 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.905 -0.671 17822 12295 1 19 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.296 5.765 17822 12296 1 19 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.906 0.862 17822 12297 1 19 . 1 1 13 13 GLU H H 13 7.751 7.751 7.618 0.133 17822 12298 1 19 . 1 1 14 14 ILE N N 14 120.199 120.199 120.229 -0.030 17822 12299 1 19 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.296 0.492 17822 12300 1 19 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.501 -5.319 17822 12301 1 19 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.253 -1.259 17822 12302 1 19 . 1 1 14 14 ILE H H 14 7.650 7.650 7.127 0.523 17822 12303 1 19 . 1 1 15 15 TRP N N 15 120.828 120.828 117.580 3.248 17822 12304 1 19 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.589 -0.536 17822 12305 1 19 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.587 3.003 17822 12306 1 19 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.682 -0.238 17822 12307 1 19 . 1 1 15 15 TRP H H 15 7.759 7.759 7.087 0.672 17822 12308 1 19 . 1 1 16 16 LYS N N 16 119.063 119.063 122.212 -3.149 17822 12309 1 19 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.165 -0.675 17822 12310 1 19 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.178 1.791 17822 12311 1 19 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.995 0.183 17822 12312 1 19 . 1 1 16 16 LYS H H 16 7.963 7.963 7.716 0.247 17822 12313 1 19 . 1 1 17 17 ILE N N 17 120.609 120.609 119.498 1.111 17822 12314 1 19 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.835 -0.224 17822 12315 1 19 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.480 -1.024 17822 12316 1 19 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.499 -1.201 17822 12317 1 19 . 1 1 17 17 ILE H H 17 7.630 7.630 8.446 -0.816 17822 12318 1 19 . 1 1 18 18 LYS N N 18 121.687 121.687 118.936 2.751 17822 12319 1 19 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.013 -0.430 17822 12320 1 19 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.498 1.432 17822 12321 1 19 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.532 0.550 17822 12322 1 19 . 1 1 18 18 LYS H H 18 8.297 8.297 7.786 0.511 17822 12323 1 19 . 1 1 19 19 LYS N N 19 119.253 119.253 118.542 0.711 17822 12324 1 19 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.135 -0.518 17822 12325 1 19 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.595 0.390 17822 12326 1 19 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.340 -0.481 17822 12327 1 19 . 1 1 19 19 LYS H H 19 7.685 7.685 7.695 -0.010 17822 12328 1 19 . 1 1 20 20 LEU N N 20 123.001 123.001 121.914 1.087 17822 12329 1 19 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.109 -0.284 17822 12330 1 19 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.477 0.304 17822 12331 1 19 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.803 -0.392 17822 12332 1 19 . 1 1 20 20 LEU H H 20 7.509 7.509 7.226 0.283 17822 12333 1 19 . 1 1 21 21 ILE N N 21 119.392 119.392 119.209 0.183 17822 12334 1 19 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.729 -0.659 17822 12335 1 19 . 1 1 21 21 ILE CA C 21 66.495 66.495 62.897 3.598 17822 12336 1 19 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.101 1.102 17822 12337 1 19 . 1 1 21 21 ILE H H 21 8.474 8.474 8.346 0.128 17822 12338 1 19 . 1 1 22 22 LYS N N 22 117.524 117.524 118.581 -1.057 17822 12339 1 19 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.098 -0.292 17822 12340 1 19 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.498 0.315 17822 12341 1 19 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.101 -0.214 17822 12342 1 19 . 1 1 22 22 LYS H H 22 7.300 7.300 7.641 -0.341 17822 12343 1 19 . 1 1 23 23 SER N N 23 114.880 114.880 114.150 0.730 17822 12344 1 19 . 1 1 23 23 SER HA H 23 4.008 4.008 4.311 -0.303 17822 12345 1 19 . 1 1 23 23 SER CA C 23 61.106 61.106 60.348 0.758 17822 12346 1 19 . 1 1 23 23 SER CB C 23 62.587 62.587 64.008 -1.421 17822 12347 1 19 . 1 1 23 23 SER H H 23 7.653 7.653 7.487 0.166 17822 12348 1 19 . 1 1 24 24 LEU N N 24 121.607 121.607 122.911 -1.304 17822 12349 1 19 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.438 0.434 17822 12350 1 19 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.566 -0.703 17822 12351 1 19 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.228 0.061 17822 12352 1 19 . 1 1 24 24 LEU H H 24 8.158 8.158 7.856 0.302 17822 12353 1 19 . 1 1 25 25 GLU N N 25 119.392 119.392 117.603 1.789 17822 12354 1 19 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.153 -0.272 17822 12355 1 19 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.694 -0.112 17822 12356 1 19 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.357 -0.177 17822 12357 1 19 . 1 1 25 25 GLU H H 25 8.344 8.344 7.779 0.565 17822 12358 1 19 . 1 1 26 26 ALA N N 26 119.228 119.228 120.049 -0.821 17822 12359 1 19 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.377 -0.260 17822 12360 1 19 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.867 0.123 17822 12361 1 19 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.329 -0.376 17822 12362 1 19 . 1 1 26 26 ALA H H 26 7.154 7.154 7.444 -0.290 17822 12363 1 19 . 1 1 27 27 ALA N N 27 121.417 121.417 122.936 -1.519 17822 12364 1 19 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.262 -0.192 17822 12365 1 19 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.130 -0.662 17822 12366 1 19 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.377 -0.074 17822 12367 1 19 . 1 1 27 27 ALA H H 27 6.833 6.833 7.670 -0.837 17822 12368 1 19 . 1 1 28 28 ARG N N 28 123.986 123.986 122.439 1.547 17822 12369 1 19 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.462 0.034 17822 12370 1 19 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.111 -0.942 17822 12371 1 19 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.620 0.341 17822 12372 1 19 . 1 1 28 28 ARG H H 28 8.679 8.679 8.397 0.282 17822 12373 1 19 . 1 1 29 29 GLY N N 29 109.466 109.466 108.040 1.426 17822 12374 1 19 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.950 -0.561 17822 12375 1 19 . 1 1 29 29 GLY H H 29 8.091 8.091 8.238 -0.147 17822 12376 1 19 . 1 1 30 30 ASN N N 30 120.048 120.048 117.252 2.796 17822 12377 1 19 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.585 0.070 17822 12378 1 19 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.096 -1.466 17822 12379 1 19 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.074 -1.272 17822 12380 1 19 . 1 1 30 30 ASN H H 30 8.419 8.419 8.480 -0.061 17822 12381 1 19 . 1 1 31 31 GLY N N 31 110.450 110.450 105.724 4.726 17822 12382 1 19 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.560 -0.874 17822 12383 1 19 . 1 1 31 31 GLY H H 31 8.071 8.071 8.589 -0.518 17822 12384 1 19 . 1 1 32 32 THR N N 32 112.929 112.929 116.617 -3.688 17822 12385 1 19 . 1 1 32 32 THR HA H 32 4.993 4.993 4.571 0.422 17822 12386 1 19 . 1 1 32 32 THR CA C 32 59.598 59.598 60.322 -0.724 17822 12387 1 19 . 1 1 32 32 THR H H 32 7.747 7.747 7.713 0.034 17822 12388 1 19 . 1 1 33 33 SER N N 33 115.208 115.208 116.140 -0.932 17822 12389 1 19 . 1 1 33 33 SER HA H 33 4.335 4.335 4.704 -0.369 17822 12390 1 19 . 1 1 33 33 SER CA C 33 58.067 58.067 57.280 0.787 17822 12391 1 19 . 1 1 33 33 SER CB C 33 64.572 64.572 64.328 0.244 17822 12392 1 19 . 1 1 33 33 SER H H 33 7.701 7.701 8.516 -0.815 17822 12393 1 19 . 1 1 34 34 MET N N 34 120.869 120.869 121.955 -1.086 17822 12394 1 19 . 1 1 34 34 MET HA H 34 4.666 4.666 4.915 -0.249 17822 12395 1 19 . 1 1 34 34 MET CA C 34 54.799 54.799 53.017 1.782 17822 12396 1 19 . 1 1 34 34 MET CB C 34 34.700 34.700 33.849 0.851 17822 12397 1 19 . 1 1 34 34 MET H H 34 8.679 8.679 8.409 0.270 17822 12398 1 19 . 1 1 35 35 ILE N N 35 126.806 126.806 120.140 6.666 17822 12399 1 19 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.220 1.950 17822 12400 1 19 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.019 -0.117 17822 12401 1 19 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.137 -1.464 17822 12402 1 19 . 1 1 35 35 ILE H H 35 9.562 9.562 8.189 1.373 17822 12403 1 19 . 1 1 36 36 SER N N 36 122.217 122.217 123.156 -0.939 17822 12404 1 19 . 1 1 36 36 SER HA H 36 4.968 4.968 5.031 -0.063 17822 12405 1 19 . 1 1 36 36 SER CA C 36 56.602 56.602 56.809 -0.207 17822 12406 1 19 . 1 1 36 36 SER CB C 36 64.572 64.572 63.924 0.648 17822 12407 1 19 . 1 1 36 36 SER H H 36 8.422 8.422 8.056 0.366 17822 12408 1 19 . 1 1 37 37 LEU N N 37 128.938 128.938 125.323 3.615 17822 12409 1 19 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.901 0.080 17822 12410 1 19 . 1 1 37 37 LEU CA C 37 53.481 53.481 52.483 0.999 17822 12411 1 19 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.604 -0.228 17822 12412 1 19 . 1 1 37 37 LEU H H 37 8.916 8.916 7.605 1.311 17822 12413 1 19 . 1 1 38 38 ILE N N 38 128.296 128.296 115.107 13.189 17822 12414 1 19 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.985 -0.013 17822 12415 1 19 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.738 0.107 17822 12416 1 19 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.135 -2.130 17822 12417 1 19 . 1 1 38 38 ILE H H 38 8.740 8.740 8.495 0.245 17822 12418 1 19 . 1 1 39 39 ILE N N 39 125.429 125.429 123.568 1.861 17822 12419 1 19 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.606 -0.207 17822 12420 1 19 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.642 -0.919 17822 12421 1 19 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.310 2.351 17822 12422 1 19 . 1 1 39 39 ILE H H 39 8.960 8.960 8.156 0.804 17822 12423 1 19 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.792 -0.385 17822 12424 1 19 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.556 5.626 17822 12425 1 19 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.096 0.276 17822 12426 1 19 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.393 -0.572 17822 12427 1 19 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.491 3.324 17822 12428 1 19 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.791 0.386 17822 12429 1 19 . 1 1 42 42 LYS N N 42 113.683 113.683 116.377 -2.694 17822 12430 1 19 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.493 -0.537 17822 12431 1 19 . 1 1 42 42 LYS CA C 42 56.806 56.806 55.271 1.535 17822 12432 1 19 . 1 1 42 42 LYS CB C 42 30.182 30.182 31.605 -1.423 17822 12433 1 19 . 1 1 42 42 LYS H H 42 8.004 8.004 8.338 -0.334 17822 12434 1 19 . 1 1 43 43 ASP N N 43 121.628 121.628 118.796 2.832 17822 12435 1 19 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.840 -0.405 17822 12436 1 19 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.393 -0.887 17822 12437 1 19 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.677 -1.462 17822 12438 1 19 . 1 1 43 43 ASP H H 43 7.290 7.290 7.465 -0.175 17822 12439 1 19 . 1 1 44 44 GLN N N 44 117.587 117.587 118.146 -0.559 17822 12440 1 19 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.605 -0.068 17822 12441 1 19 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.678 -0.740 17822 12442 1 19 . 1 1 44 44 GLN CB C 44 31.544 31.544 30.874 0.670 17822 12443 1 19 . 1 1 44 44 GLN H H 44 9.610 9.610 8.420 1.190 17822 12444 1 19 . 1 1 45 45 ILE N N 45 126.939 126.939 124.083 2.856 17822 12445 1 19 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.654 -0.353 17822 12446 1 19 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.908 -0.624 17822 12447 1 19 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.688 -2.055 17822 12448 1 19 . 1 1 45 45 ILE H H 45 8.806 8.806 9.072 -0.266 17822 12449 1 19 . 1 1 46 46 SER N N 46 113.239 113.239 114.753 -1.514 17822 12450 1 19 . 1 1 46 46 SER HA H 46 3.931 3.931 4.201 -0.270 17822 12451 1 19 . 1 1 46 46 SER CA C 46 60.762 60.762 61.881 -1.119 17822 12452 1 19 . 1 1 46 46 SER CB C 46 61.464 61.464 62.788 -1.324 17822 12453 1 19 . 1 1 46 46 SER H H 46 8.476 8.476 8.471 0.005 17822 12454 1 19 . 1 1 47 47 ARG N N 47 124.530 124.530 121.911 2.619 17822 12455 1 19 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.022 -0.231 17822 12456 1 19 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.759 0.168 17822 12457 1 19 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.609 0.974 17822 12458 1 19 . 1 1 47 47 ARG H H 47 6.731 6.731 7.652 -0.921 17822 12459 1 19 . 1 1 48 48 VAL N N 48 121.935 121.935 119.811 2.124 17822 12460 1 19 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.684 -0.537 17822 12461 1 19 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.702 -0.494 17822 12462 1 19 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.358 0.110 17822 12463 1 19 . 1 1 48 48 VAL H H 48 7.257 7.257 7.792 -0.535 17822 12464 1 19 . 1 1 49 49 ALA N N 49 122.345 122.345 119.353 2.992 17822 12465 1 19 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.017 -0.135 17822 12466 1 19 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.933 0.210 17822 12467 1 19 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.273 -0.623 17822 12468 1 19 . 1 1 49 49 ALA H H 49 8.864 8.864 7.713 1.151 17822 12469 1 19 . 1 1 50 50 LYS N N 50 120.376 120.376 119.814 0.562 17822 12470 1 19 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.145 -0.242 17822 12471 1 19 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.688 0.239 17822 12472 1 19 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.384 -0.798 17822 12473 1 19 . 1 1 50 50 LYS H H 50 7.380 7.380 7.727 -0.347 17822 12474 1 19 . 1 1 51 51 MET N N 51 121.641 121.641 118.056 3.585 17822 12475 1 19 . 1 1 51 51 MET HA H 51 3.935 3.935 4.173 -0.238 17822 12476 1 19 . 1 1 51 51 MET CA C 51 58.927 58.927 58.713 0.214 17822 12477 1 19 . 1 1 51 51 MET CB C 51 30.734 30.734 32.103 -1.369 17822 12478 1 19 . 1 1 51 51 MET H H 51 7.508 7.508 8.268 -0.760 17822 12479 1 19 . 1 1 52 52 LEU N N 52 120.125 120.125 119.983 0.142 17822 12480 1 19 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.271 -0.614 17822 12481 1 19 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.068 0.369 17822 12482 1 19 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.605 -0.051 17822 12483 1 19 . 1 1 52 52 LEU H H 52 8.203 8.203 7.813 0.390 17822 12484 1 19 . 1 1 53 53 ALA N N 53 123.639 123.639 122.387 1.252 17822 12485 1 19 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.874 0.071 17822 12486 1 19 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.420 -0.621 17822 12487 1 19 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.681 -0.432 17822 12488 1 19 . 1 1 53 53 ALA H H 53 7.775 7.775 7.481 0.294 17822 12489 1 19 . 1 1 54 54 ASP N N 54 123.165 123.165 118.204 4.961 17822 12490 1 19 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.413 -0.084 17822 12491 1 19 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.540 -0.333 17822 12492 1 19 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.912 -1.807 17822 12493 1 19 . 1 1 54 54 ASP H H 54 8.156 8.156 7.696 0.460 17822 12494 1 19 . 1 1 55 55 GLU N N 55 122.017 122.017 119.171 2.846 17822 12495 1 19 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.045 -0.169 17822 12496 1 19 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.950 -0.367 17822 12497 1 19 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.409 -0.390 17822 12498 1 19 . 1 1 55 55 GLU H H 55 8.221 8.221 7.635 0.586 17822 12499 1 19 . 1 1 56 56 PHE N N 56 123.334 123.334 121.123 2.211 17822 12500 1 19 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.286 0.395 17822 12501 1 19 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.285 0.230 17822 12502 1 19 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.922 0.291 17822 12503 1 19 . 1 1 56 56 PHE H H 56 8.711 8.711 8.289 0.422 17822 12504 1 19 . 1 1 57 57 GLY N N 57 107.156 107.156 105.368 1.788 17822 12505 1 19 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.625 -0.142 17822 12506 1 19 . 1 1 57 57 GLY H H 57 7.985 7.985 8.066 -0.081 17822 12507 1 19 . 1 1 58 58 THR N N 58 118.940 118.940 117.757 1.183 17822 12508 1 19 . 1 1 58 58 THR HA H 58 4.062 4.062 4.179 -0.117 17822 12509 1 19 . 1 1 58 58 THR CA C 58 65.406 65.406 66.097 -0.691 17822 12510 1 19 . 1 1 58 58 THR CB C 58 68.408 68.408 68.629 -0.221 17822 12511 1 19 . 1 1 58 58 THR H H 58 7.992 7.992 7.804 0.188 17822 12512 1 19 . 1 1 59 59 ALA N N 59 126.365 126.365 124.575 1.790 17822 12513 1 19 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.173 -0.245 17822 12514 1 19 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.754 -0.815 17822 12515 1 19 . 1 1 59 59 ALA CB C 59 18.151 18.151 18.167 -0.016 17822 12516 1 19 . 1 1 59 59 ALA H H 59 8.351 8.351 7.561 0.790 17822 12517 1 19 . 1 1 60 60 SER N N 60 112.435 112.435 112.018 0.417 17822 12518 1 19 . 1 1 60 60 SER HA H 60 4.632 4.632 4.160 0.472 17822 12519 1 19 . 1 1 60 60 SER CA C 60 61.220 61.220 60.424 0.796 17822 12520 1 19 . 1 1 60 60 SER CB C 60 62.686 62.686 62.784 -0.098 17822 12521 1 19 . 1 1 60 60 SER H H 60 7.459 7.459 7.618 -0.159 17822 12522 1 19 . 1 1 61 61 ASN N N 61 116.971 116.971 118.049 -1.078 17822 12523 1 19 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.708 -0.195 17822 12524 1 19 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.818 -0.796 17822 12525 1 19 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.164 -0.159 17822 12526 1 19 . 1 1 61 61 ASN H H 61 7.372 7.372 7.515 -0.143 17822 12527 1 19 . 1 1 62 62 ILE N N 62 123.980 123.980 122.235 1.745 17822 12528 1 19 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.887 -0.251 17822 12529 1 19 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.383 1.046 17822 12530 1 19 . 1 1 62 62 ILE CB C 62 38.430 38.430 39.152 -0.722 17822 12531 1 19 . 1 1 62 62 ILE H H 62 7.461 7.461 7.419 0.042 17822 12532 1 19 . 1 1 63 63 LYS N N 63 128.982 128.982 127.551 1.431 17822 12533 1 19 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.076 -0.279 17822 12534 1 19 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.474 0.224 17822 12535 1 19 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.423 0.283 17822 12536 1 19 . 1 1 63 63 LYS H H 63 8.417 8.417 8.543 -0.126 17822 12537 1 19 . 1 1 64 64 SER N N 64 114.306 114.306 117.894 -3.588 17822 12538 1 19 . 1 1 64 64 SER HA H 64 4.616 4.616 4.559 0.057 17822 12539 1 19 . 1 1 64 64 SER CA C 64 56.749 56.749 57.407 -0.658 17822 12540 1 19 . 1 1 64 64 SER CB C 64 62.962 62.962 63.427 -0.465 17822 12541 1 19 . 1 1 64 64 SER H H 64 7.599 7.599 8.050 -0.451 17822 12542 1 19 . 1 1 65 65 ARG N N 65 132.125 132.125 128.082 4.043 17822 12543 1 19 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.904 0.402 17822 12544 1 19 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.854 0.048 17822 12545 1 19 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.815 3.283 17822 12546 1 19 . 1 1 65 65 ARG H H 65 8.689 8.689 8.873 -0.184 17822 12547 1 19 . 1 1 66 66 VAL N N 66 116.947 116.947 119.041 -2.094 17822 12548 1 19 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.614 -0.063 17822 12549 1 19 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.317 -0.854 17822 12550 1 19 . 1 1 66 66 VAL CB C 66 31.586 31.586 30.746 0.840 17822 12551 1 19 . 1 1 66 66 VAL H H 66 7.946 7.946 8.290 -0.344 17822 12552 1 19 . 1 1 67 67 ASN N N 67 119.499 119.499 117.155 2.344 17822 12553 1 19 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.341 0.071 17822 12554 1 19 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.143 -0.770 17822 12555 1 19 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.135 -0.099 17822 12556 1 19 . 1 1 67 67 ASN H H 67 7.386 7.386 7.784 -0.398 17822 12557 1 19 . 1 1 68 68 ARG N N 68 122.132 122.132 121.514 0.618 17822 12558 1 19 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.907 -0.313 17822 12559 1 19 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.439 0.359 17822 12560 1 19 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.124 0.435 17822 12561 1 19 . 1 1 68 68 ARG H H 68 8.566 8.566 7.558 1.008 17822 12562 1 19 . 1 1 69 69 LEU N N 69 116.564 116.564 118.766 -2.202 17822 12563 1 19 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.086 -0.303 17822 12564 1 19 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.673 0.222 17822 12565 1 19 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.737 -0.128 17822 12566 1 19 . 1 1 69 69 LEU H H 69 8.167 8.167 8.633 -0.466 17822 12567 1 19 . 1 1 70 70 SER N N 70 116.805 116.805 113.188 3.617 17822 12568 1 19 . 1 1 70 70 SER HA H 70 4.132 4.132 4.223 -0.091 17822 12569 1 19 . 1 1 70 70 SER CA C 70 61.450 61.450 61.684 -0.234 17822 12570 1 19 . 1 1 70 70 SER CB C 70 62.635 62.635 62.895 -0.261 17822 12571 1 19 . 1 1 70 70 SER H H 70 7.589 7.589 7.488 0.101 17822 12572 1 19 . 1 1 71 71 VAL N N 71 124.991 124.991 120.987 4.004 17822 12573 1 19 . 1 1 71 71 VAL HA H 71 3.483 3.483 4.006 -0.523 17822 12574 1 19 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.197 2.642 17822 12575 1 19 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.758 -0.109 17822 12576 1 19 . 1 1 71 71 VAL H H 71 7.934 7.934 7.867 0.067 17822 12577 1 19 . 1 1 72 72 LEU N N 72 118.680 118.680 121.776 -3.096 17822 12578 1 19 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.159 -0.438 17822 12579 1 19 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.678 0.561 17822 12580 1 19 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.338 -1.040 17822 12581 1 19 . 1 1 72 72 LEU H H 72 8.354 8.354 8.599 -0.245 17822 12582 1 19 . 1 1 73 73 GLY N N 73 106.674 106.674 105.987 0.687 17822 12583 1 19 . 1 1 73 73 GLY CA C 73 46.945 46.945 46.991 -0.046 17822 12584 1 19 . 1 1 73 73 GLY H H 73 8.052 8.052 8.202 -0.150 17822 12585 1 19 . 1 1 74 74 ALA N N 74 127.313 127.313 124.403 2.910 17822 12586 1 19 . 1 1 74 74 ALA HA H 74 4.153 4.153 3.995 0.158 17822 12587 1 19 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.835 0.538 17822 12588 1 19 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.626 -0.820 17822 12589 1 19 . 1 1 74 74 ALA H H 74 7.784 7.784 7.434 0.350 17822 12590 1 19 . 1 1 75 75 ILE N N 75 119.310 119.310 118.859 0.451 17822 12591 1 19 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.649 -0.287 17822 12592 1 19 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.606 1.004 17822 12593 1 19 . 1 1 75 75 ILE CB C 75 38.424 38.424 37.933 0.491 17822 12594 1 19 . 1 1 75 75 ILE H H 75 8.638 8.638 7.827 0.811 17822 12595 1 19 . 1 1 76 76 THR N N 76 116.205 116.205 112.904 3.301 17822 12596 1 19 . 1 1 76 76 THR HA H 76 4.227 4.227 3.878 0.349 17822 12597 1 19 . 1 1 76 76 THR CA C 76 66.782 66.782 66.290 0.492 17822 12598 1 19 . 1 1 76 76 THR CB C 76 68.478 68.478 67.913 0.565 17822 12599 1 19 . 1 1 76 76 THR H H 76 8.317 8.317 7.866 0.451 17822 12600 1 19 . 1 1 77 77 SER N N 77 118.405 118.405 117.671 0.734 17822 12601 1 19 . 1 1 77 77 SER HA H 77 4.173 4.173 4.260 -0.087 17822 12602 1 19 . 1 1 77 77 SER CA C 77 62.482 62.482 61.036 1.446 17822 12603 1 19 . 1 1 77 77 SER CB C 77 63.484 63.484 62.886 0.598 17822 12604 1 19 . 1 1 77 77 SER H H 77 7.843 7.843 7.763 0.080 17822 12605 1 19 . 1 1 78 78 VAL N N 78 124.171 124.171 122.550 1.621 17822 12606 1 19 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.688 -0.115 17822 12607 1 19 . 1 1 78 78 VAL CA C 78 66.724 66.724 66.728 -0.004 17822 12608 1 19 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.246 -0.262 17822 12609 1 19 . 1 1 78 78 VAL H H 78 8.153 8.153 8.325 -0.172 17822 12610 1 19 . 1 1 79 79 GLN N N 79 120.008 120.008 118.424 1.584 17822 12611 1 19 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.860 0.069 17822 12612 1 19 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.541 -0.155 17822 12613 1 19 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.260 0.519 17822 12614 1 19 . 1 1 79 79 GLN H H 79 8.688 8.688 8.581 0.107 17822 12615 1 19 . 1 1 80 80 GLN N N 80 116.870 116.870 117.642 -0.772 17822 12616 1 19 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.063 -0.288 17822 12617 1 19 . 1 1 80 80 GLN CA C 80 58.526 58.526 59.022 -0.496 17822 12618 1 19 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.315 -0.338 17822 12619 1 19 . 1 1 80 80 GLN H H 80 7.850 7.850 7.874 -0.024 17822 12620 1 19 . 1 1 81 81 ARG N N 81 119.074 119.074 120.768 -1.694 17822 12621 1 19 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.115 -0.123 17822 12622 1 19 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.975 -2.341 17822 12623 1 19 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.120 -1.798 17822 12624 1 19 . 1 1 81 81 ARG H H 81 7.520 7.520 7.814 -0.294 17822 12625 1 19 . 1 1 82 82 LEU N N 82 117.238 117.238 118.566 -1.328 17822 12626 1 19 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.275 -0.384 17822 12627 1 19 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.728 -0.291 17822 12628 1 19 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.214 -0.404 17822 12629 1 19 . 1 1 82 82 LEU H H 82 8.189 8.189 8.300 -0.111 17822 12630 1 19 . 1 1 83 83 LYS N N 83 114.899 114.899 117.795 -2.896 17822 12631 1 19 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.066 -0.121 17822 12632 1 19 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.739 -1.073 17822 12633 1 19 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.266 -0.279 17822 12634 1 19 . 1 1 83 83 LYS H H 83 7.064 7.064 7.415 -0.351 17822 12635 1 19 . 1 1 84 84 LEU N N 84 117.840 117.840 117.966 -0.126 17822 12636 1 19 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.069 -0.196 17822 12637 1 19 . 1 1 84 84 LEU CA C 84 55.315 55.315 55.288 0.027 17822 12638 1 19 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.467 -0.538 17822 12639 1 19 . 1 1 84 84 LEU H H 84 7.271 7.271 7.776 -0.505 17822 12640 1 19 . 1 1 85 85 TYR N N 85 119.720 119.720 116.940 2.780 17822 12641 1 19 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.628 -0.373 17822 12642 1 19 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.141 1.926 17822 12643 1 19 . 1 1 85 85 TYR CB C 85 39.068 39.068 36.343 2.725 17822 12644 1 19 . 1 1 85 85 TYR H H 85 7.633 7.633 7.103 0.530 17822 12645 1 19 . 1 1 86 86 ASN N N 86 119.638 119.638 118.295 1.343 17822 12646 1 19 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.458 0.016 17822 12647 1 19 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.601 -1.719 17822 12648 1 19 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.944 -0.202 17822 12649 1 19 . 1 1 86 86 ASN H H 86 8.622 8.622 8.330 0.292 17822 12650 1 19 . 1 1 87 87 LYS N N 87 116.321 116.321 118.055 -1.734 17822 12651 1 19 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.356 0.142 17822 12652 1 19 . 1 1 87 87 LYS CA C 87 54.169 54.169 55.880 -1.711 17822 12653 1 19 . 1 1 87 87 LYS CB C 87 34.673 34.673 34.471 0.202 17822 12654 1 19 . 1 1 87 87 LYS H H 87 7.631 7.631 7.731 -0.100 17822 12655 1 19 . 1 1 88 88 VAL N N 88 125.141 125.141 117.942 7.199 17822 12656 1 19 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.506 -0.884 17822 12657 1 19 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.067 3.899 17822 12658 1 19 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.861 0.427 17822 12659 1 19 . 1 1 88 88 VAL H H 88 8.357 8.357 8.265 0.092 17822 12660 1 19 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.699 -0.446 17822 12661 1 19 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.295 2.045 17822 12662 1 19 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.021 0.533 17822 12663 1 19 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.225 0.275 17822 12664 1 19 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.069 0.910 17822 12665 1 19 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.047 0.141 17822 12666 1 19 . 1 1 91 91 ASN N N 91 112.735 112.735 115.665 -2.930 17822 12667 1 19 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.551 0.104 17822 12668 1 19 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.278 -1.403 17822 12669 1 19 . 1 1 91 91 ASN CB C 91 37.443 37.443 37.864 -0.421 17822 12670 1 19 . 1 1 91 91 ASN H H 91 9.163 9.163 8.328 0.835 17822 12671 1 19 . 1 1 92 92 GLY N N 92 108.893 108.893 106.655 2.238 17822 12672 1 19 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.845 -1.404 17822 12673 1 19 . 1 1 92 92 GLY H H 92 7.898 7.898 7.181 0.717 17822 12674 1 19 . 1 1 93 93 LEU N N 93 117.751 117.751 126.494 -8.743 17822 12675 1 19 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.236 0.088 17822 12676 1 19 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.209 -0.442 17822 12677 1 19 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.130 5.397 17822 12678 1 19 . 1 1 93 93 LEU H H 93 8.508 8.508 7.653 0.855 17822 12679 1 19 . 1 1 94 94 VAL N N 94 126.296 126.296 128.317 -2.021 17822 12680 1 19 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.653 -0.303 17822 12681 1 19 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.436 -0.961 17822 12682 1 19 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.688 -0.520 17822 12683 1 19 . 1 1 94 94 VAL H H 94 8.168 8.168 7.895 0.273 17822 12684 1 19 . 1 1 95 95 VAL N N 95 125.531 125.531 117.615 7.916 17822 12685 1 19 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.182 -1.042 17822 12686 1 19 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.659 0.644 17822 12687 1 19 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.644 0.551 17822 12688 1 19 . 1 1 95 95 VAL H H 95 8.744 8.744 8.210 0.534 17822 12689 1 19 . 1 1 96 96 TYR N N 96 123.577 123.577 122.937 0.640 17822 12690 1 19 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.574 -0.242 17822 12691 1 19 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.984 0.593 17822 12692 1 19 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.544 -0.924 17822 12693 1 19 . 1 1 96 96 TYR H H 96 8.698 8.698 9.219 -0.521 17822 12694 1 19 . 1 1 97 97 CYS N N 97 120.144 120.144 122.552 -2.408 17822 12695 1 19 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.820 -0.272 17822 12696 1 19 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.135 -0.558 17822 12697 1 19 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.526 1.260 17822 12698 1 19 . 1 1 97 97 CYS H H 97 8.796 8.796 8.347 0.449 17822 12699 1 19 . 1 1 98 98 GLY N N 98 112.534 112.534 112.391 0.143 17822 12700 1 19 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.405 0.393 17822 12701 1 19 . 1 1 98 98 GLY H H 98 8.776 8.776 8.342 0.434 17822 12702 1 19 . 1 1 99 99 THR N N 99 119.083 119.083 116.830 2.253 17822 12703 1 19 . 1 1 99 99 THR HA H 99 4.821 4.821 5.402 -0.581 17822 12704 1 19 . 1 1 99 99 THR CA C 99 62.294 62.294 61.521 0.773 17822 12705 1 19 . 1 1 99 99 THR CB C 99 69.781 69.781 70.828 -1.047 17822 12706 1 19 . 1 1 99 99 THR H H 99 8.168 8.168 8.414 -0.246 17822 12707 1 19 . 1 1 100 100 ILE N N 100 122.250 122.250 124.204 -1.954 17822 12708 1 19 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.676 -0.099 17822 12709 1 19 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.696 -0.113 17822 12710 1 19 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.242 0.267 17822 12711 1 19 . 1 1 100 100 ILE H H 100 8.838 8.838 8.555 0.283 17822 12712 1 19 . 1 1 101 101 VAL N N 101 120.622 120.622 124.225 -3.603 17822 12713 1 19 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.888 -0.238 17822 12714 1 19 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.157 1.433 17822 12715 1 19 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.637 -1.748 17822 12716 1 19 . 1 1 101 101 VAL H H 101 8.310 8.310 8.363 -0.053 17822 12717 1 19 . 1 1 102 102 THR N N 102 118.661 118.661 120.242 -1.581 17822 12718 1 19 . 1 1 102 102 THR HA H 102 4.658 4.658 4.552 0.106 17822 12719 1 19 . 1 1 102 102 THR CA C 102 60.590 60.590 60.632 -0.042 17822 12720 1 19 . 1 1 102 102 THR CB C 102 71.189 71.189 70.088 1.101 17822 12721 1 19 . 1 1 102 102 THR H H 102 8.867 8.867 8.135 0.732 17822 12722 1 19 . 1 1 103 103 GLU N N 103 121.906 121.906 120.641 1.265 17822 12723 1 19 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.087 -0.169 17822 12724 1 19 . 1 1 103 103 GLU CA C 103 58.927 58.927 59.060 -0.133 17822 12725 1 19 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.461 -0.531 17822 12726 1 19 . 1 1 103 103 GLU H H 103 9.243 9.243 8.825 0.418 17822 12727 1 19 . 1 1 104 104 GLU N N 104 116.013 116.013 118.098 -2.085 17822 12728 1 19 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.154 0.020 17822 12729 1 19 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.129 0.104 17822 12730 1 19 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.325 0.142 17822 12731 1 19 . 1 1 104 104 GLU H H 104 7.716 7.716 7.923 -0.207 17822 12732 1 19 . 1 1 105 105 GLY N N 105 109.001 109.001 107.271 1.730 17822 12733 1 19 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.139 -0.434 17822 12734 1 19 . 1 1 105 105 GLY H H 105 8.045 8.045 7.776 0.269 17822 12735 1 19 . 1 1 106 106 LYS N N 106 119.559 119.559 119.972 -0.413 17822 12736 1 19 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.454 -0.123 17822 12737 1 19 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.856 -0.401 17822 12738 1 19 . 1 1 106 106 LYS CB C 106 33.422 33.422 32.464 0.958 17822 12739 1 19 . 1 1 106 106 LYS H H 106 6.924 6.924 7.845 -0.921 17822 12740 1 19 . 1 1 107 107 GLU N N 107 121.771 121.771 125.255 -3.484 17822 12741 1 19 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.328 0.626 17822 12742 1 19 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.762 -1.160 17822 12743 1 19 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.676 0.609 17822 12744 1 19 . 1 1 107 107 GLU H H 107 8.371 8.371 8.672 -0.301 17822 12745 1 19 . 1 1 108 108 LYS N N 108 125.216 125.216 123.087 2.129 17822 12746 1 19 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.479 -0.039 17822 12747 1 19 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.296 -0.210 17822 12748 1 19 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.729 1.186 17822 12749 1 19 . 1 1 108 108 LYS H H 108 8.946 8.946 8.356 0.590 17822 12750 1 19 . 1 1 109 109 LYS N N 109 125.136 125.136 128.148 -3.012 17822 12751 1 19 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.476 0.160 17822 12752 1 19 . 1 1 109 109 LYS CA C 109 55.774 55.774 55.986 -0.212 17822 12753 1 19 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.413 0.387 17822 12754 1 19 . 1 1 109 109 LYS H H 109 8.548 8.548 8.602 -0.054 17822 12755 1 19 . 1 1 110 110 VAL N N 110 125.626 125.626 127.995 -2.369 17822 12756 1 19 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.135 -0.059 17822 12757 1 19 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.158 -0.594 17822 12758 1 19 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.095 1.797 17822 12759 1 19 . 1 1 110 110 VAL H H 110 8.850 8.850 9.036 -0.186 17822 12760 1 19 . 1 1 111 111 ASN N N 111 126.837 126.837 126.155 0.682 17822 12761 1 19 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.453 -0.165 17822 12762 1 19 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.131 1.178 17822 12763 1 19 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.262 0.207 17822 12764 1 19 . 1 1 111 111 ASN H H 111 8.711 8.711 8.383 0.328 17822 12765 1 19 . 1 1 112 112 ILE N N 112 125.729 125.729 124.244 1.485 17822 12766 1 19 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.384 0.000 17822 12767 1 19 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.133 -0.944 17822 12768 1 19 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.340 0.512 17822 12769 1 19 . 1 1 112 112 ILE H H 112 8.931 8.931 8.472 0.459 17822 12770 1 19 . 1 1 113 113 ASP N N 113 122.734 122.734 127.138 -4.404 17822 12771 1 19 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.959 -0.169 17822 12772 1 19 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.341 -1.136 17822 12773 1 19 . 1 1 113 113 ASP CB C 113 43.521 43.521 44.173 -0.652 17822 12774 1 19 . 1 1 113 113 ASP H H 113 8.116 8.116 8.564 -0.448 17822 12775 1 19 . 1 1 114 114 PHE N N 114 116.385 116.385 119.364 -2.979 17822 12776 1 19 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.731 -0.028 17822 12777 1 19 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.431 0.031 17822 12778 1 19 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.373 -0.666 17822 12779 1 19 . 1 1 114 114 PHE H H 114 8.613 8.613 8.285 0.328 17822 12780 1 19 . 1 1 115 115 GLU N N 115 124.642 124.642 120.268 4.374 17822 12781 1 19 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.400 0.393 17822 12782 1 19 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.024 -1.321 17822 12783 1 19 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.593 1.532 17822 12784 1 19 . 1 1 115 115 GLU H H 115 8.591 8.591 8.263 0.328 17822 12785 1 19 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.234 0.349 17822 12786 1 19 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.453 -0.102 17822 12787 1 19 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.361 -1.399 17822 12788 1 19 . 1 1 117 117 PHE N N 117 116.676 116.676 111.832 4.844 17822 12789 1 19 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.669 -0.475 17822 12790 1 19 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.880 0.759 17822 12791 1 19 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.024 -1.272 17822 12792 1 19 . 1 1 117 117 PHE H H 117 7.842 7.842 8.275 -0.433 17822 12793 1 19 . 1 1 118 118 LYS N N 118 118.589 118.589 119.045 -0.456 17822 12794 1 19 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.353 -0.170 17822 12795 1 19 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.541 -0.207 17822 12796 1 19 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.852 1.341 17822 12797 1 19 . 1 1 118 118 LYS H H 118 6.889 6.889 7.024 -0.135 17822 12798 1 19 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.521 0.002 17822 12799 1 19 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.008 0.608 17822 12800 1 19 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.480 -0.308 17822 12801 1 19 . 1 1 120 120 ILE N N 120 121.968 121.968 121.594 0.374 17822 12802 1 19 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.201 -0.295 17822 12803 1 19 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.437 1.982 17822 12804 1 19 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.474 0.331 17822 12805 1 19 . 1 1 120 120 ILE H H 120 7.440 7.440 7.691 -0.251 17822 12806 1 19 . 1 1 121 121 ASN N N 121 120.951 120.951 127.160 -6.209 17822 12807 1 19 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.371 0.261 17822 12808 1 19 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.240 -1.358 17822 12809 1 19 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.614 0.684 17822 12810 1 19 . 1 1 121 121 ASN H H 121 8.112 8.112 8.760 -0.648 17822 12811 1 19 . 1 1 122 122 GLN N N 122 118.826 118.826 115.954 2.872 17822 12812 1 19 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.477 -0.065 17822 12813 1 19 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.760 -0.362 17822 12814 1 19 . 1 1 122 122 GLN CB C 122 31.486 31.486 31.879 -0.393 17822 12815 1 19 . 1 1 122 122 GLN H H 122 7.009 7.009 7.685 -0.676 17822 12816 1 19 . 1 1 123 123 PHE N N 123 122.795 122.795 119.809 2.986 17822 12817 1 19 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.492 0.222 17822 12818 1 19 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.344 -1.137 17822 12819 1 19 . 1 1 123 123 PHE CB C 123 39.718 39.718 39.038 0.679 17822 12820 1 19 . 1 1 123 123 PHE H H 123 8.335 8.335 8.956 -0.621 17822 12821 1 19 . 1 1 124 124 MET N N 124 126.990 126.990 126.777 0.213 17822 12822 1 19 . 1 1 124 124 MET HA H 124 3.984 3.984 4.450 -0.466 17822 12823 1 19 . 1 1 124 124 MET CA C 124 54.799 54.799 54.429 0.370 17822 12824 1 19 . 1 1 124 124 MET CB C 124 37.330 37.330 36.261 1.069 17822 12825 1 19 . 1 1 124 124 MET H H 124 7.992 7.992 8.438 -0.446 17822 12826 1 19 . 1 1 125 125 TYR N N 125 122.216 122.216 124.922 -2.706 17822 12827 1 19 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.503 0.401 17822 12828 1 19 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.249 -0.500 17822 12829 1 19 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.372 0.781 17822 12830 1 19 . 1 1 125 125 TYR H H 125 7.552 7.552 8.116 -0.564 17822 12831 1 19 . 1 1 126 126 PHE N N 126 124.584 124.584 119.378 5.206 17822 12832 1 19 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.687 -0.612 17822 12833 1 19 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.904 0.501 17822 12834 1 19 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.545 3.874 17822 12835 1 19 . 1 1 126 126 PHE H H 126 8.271 8.271 6.589 1.682 17822 12836 1 19 . 1 1 127 127 CYS N N 127 124.011 124.011 120.732 3.279 17822 12837 1 19 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.644 0.152 17822 12838 1 19 . 1 1 127 127 CYS CA C 127 57.840 57.840 56.520 1.320 17822 12839 1 19 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.701 -4.770 17822 12840 1 19 . 1 1 127 127 CYS H H 127 8.442 8.442 8.893 -0.451 17822 12841 1 19 . 1 1 128 128 ASP N N 128 127.486 127.486 123.883 3.603 17822 12842 1 19 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.505 0.501 17822 12843 1 19 . 1 1 128 128 ASP CA C 128 52.506 52.506 53.737 -1.231 17822 12844 1 19 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.577 2.819 17822 12845 1 19 . 1 1 128 128 ASP H H 128 8.907 8.907 8.437 0.470 17822 12846 1 19 . 1 1 129 129 ASN N N 129 119.092 119.092 117.277 1.815 17822 12847 1 19 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.251 0.413 17822 12848 1 19 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.480 -1.745 17822 12849 1 19 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.885 0.017 17822 12850 1 19 . 1 1 129 129 ASN H H 129 9.136 9.136 8.713 0.423 17822 12851 1 19 . 1 1 130 130 LYS N N 130 114.367 114.367 114.128 0.239 17822 12852 1 19 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.394 -0.231 17822 12853 1 19 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.380 -1.155 17822 12854 1 19 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.136 -0.044 17822 12855 1 19 . 1 1 130 130 LYS H H 130 7.115 7.115 7.039 0.076 17822 12856 1 19 . 1 1 131 131 PHE N N 131 121.117 121.117 119.120 1.997 17822 12857 1 19 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.702 -0.187 17822 12858 1 19 . 1 1 131 131 PHE CA C 131 57.150 57.150 58.113 -0.963 17822 12859 1 19 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.428 -1.339 17822 12860 1 19 . 1 1 131 131 PHE H H 131 9.291 9.291 8.676 0.615 17822 12861 1 19 . 1 1 132 132 HIS N N 132 121.897 121.897 124.271 -2.374 17822 12862 1 19 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.852 -0.469 17822 12863 1 19 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.699 0.304 17822 12864 1 19 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.476 -2.133 17822 12865 1 19 . 1 1 132 132 HIS H H 132 9.026 9.026 8.848 0.178 17822 12866 1 19 . 1 1 133 133 THR N N 133 117.915 117.915 119.135 -1.220 17822 12867 1 19 . 1 1 133 133 THR HA H 133 4.612 4.612 4.816 -0.204 17822 12868 1 19 . 1 1 133 133 THR CA C 133 61.679 61.679 61.773 -0.094 17822 12869 1 19 . 1 1 133 133 THR CB C 133 73.856 73.856 70.321 3.535 17822 12870 1 19 . 1 1 133 133 THR H H 133 8.700 8.700 8.682 0.018 17822 12871 1 19 . 1 1 134 134 GLU N N 134 129.072 129.072 127.495 1.577 17822 12872 1 19 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.289 -0.310 17822 12873 1 19 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.423 1.110 17822 12874 1 19 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.622 -2.119 17822 12875 1 19 . 1 1 134 134 GLU H H 134 10.805 10.805 8.598 2.207 17822 12876 1 19 . 1 1 135 135 ALA N N 135 122.099 122.099 122.412 -0.313 17822 12877 1 19 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.065 0.006 17822 12878 1 19 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.078 -0.565 17822 12879 1 19 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.813 0.948 17822 12880 1 19 . 1 1 135 135 ALA H H 135 8.590 8.590 8.588 0.002 17822 12881 1 19 . 1 1 136 136 LEU N N 136 116.720 116.720 118.008 -1.288 17822 12882 1 19 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.999 0.055 17822 12883 1 19 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.961 -1.383 17822 12884 1 19 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.520 -0.209 17822 12885 1 19 . 1 1 136 136 LEU H H 136 7.471 7.471 7.802 -0.331 17822 12886 1 19 . 1 1 137 137 THR N N 137 117.177 117.177 112.947 4.230 17822 12887 1 19 . 1 1 137 137 THR HA H 137 4.005 4.005 4.052 -0.047 17822 12888 1 19 . 1 1 137 137 THR CA C 137 66.610 66.610 65.387 1.223 17822 12889 1 19 . 1 1 137 137 THR CB C 137 67.980 67.980 68.974 -0.994 17822 12890 1 19 . 1 1 137 137 THR H H 137 8.044 8.044 7.624 0.420 17822 12891 1 19 . 1 1 138 138 ALA N N 138 124.719 124.719 123.654 1.065 17822 12892 1 19 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.202 -0.201 17822 12893 1 19 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.501 0.413 17822 12894 1 19 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.895 -1.398 17822 12895 1 19 . 1 1 138 138 ALA H H 138 7.695 7.695 8.080 -0.385 17822 12896 1 19 . 1 1 139 139 LEU N N 139 120.059 120.059 120.902 -0.843 17822 12897 1 19 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.015 -0.016 17822 12898 1 19 . 1 1 139 139 LEU CA C 139 57.494 57.494 57.991 -0.497 17822 12899 1 19 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.669 1.143 17822 12900 1 19 . 1 1 139 139 LEU H H 139 7.345 7.345 8.383 -1.038 17822 12901 1 19 . 1 1 140 140 LEU N N 140 117.771 117.771 118.955 -1.184 17822 12902 1 19 . 1 1 140 140 LEU HA H 140 3.957 3.957 4.065 -0.108 17822 12903 1 19 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.474 -1.496 17822 12904 1 19 . 1 1 140 140 LEU CB C 140 41.239 41.239 40.904 0.334 17822 12905 1 19 . 1 1 140 140 LEU H H 140 7.748 7.748 7.813 -0.065 17822 12906 1 19 . 1 1 141 141 SER N N 141 114.778 114.778 112.828 1.950 17822 12907 1 19 . 1 1 141 141 SER HA H 141 4.107 4.107 4.264 -0.157 17822 12908 1 19 . 1 1 141 141 SER CA C 141 60.647 60.647 60.934 -0.287 17822 12909 1 19 . 1 1 141 141 SER CB C 141 62.650 62.650 63.176 -0.526 17822 12910 1 19 . 1 1 141 141 SER H H 141 7.807 7.807 7.614 0.193 17822 12911 1 19 . 1 1 142 142 ASP N N 142 121.827 121.827 121.616 0.211 17822 12912 1 19 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.489 -0.131 17822 12913 1 19 . 1 1 142 142 ASP CA C 142 56.061 56.061 57.204 -1.143 17822 12914 1 19 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.233 -0.624 17822 12915 1 19 . 1 1 142 142 ASP H H 142 7.878 7.878 8.176 -0.298 17822 12916 1 19 . 1 1 143 143 LEU N N 143 120.220 120.220 119.458 0.762 17822 12917 1 19 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.109 -0.137 17822 12918 1 19 . 1 1 143 143 LEU CA C 143 56.462 56.462 57.098 -0.636 17822 12919 1 19 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.522 -0.308 17822 12920 1 19 . 1 1 143 143 LEU H H 143 7.846 7.846 8.251 -0.405 17822 12921 1 20 . 1 1 2 2 ALA N N 2 125.964 125.964 125.758 0.206 17822 12922 1 20 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.663 -0.051 17822 12923 1 20 . 1 1 2 2 ALA CA C 2 52.292 52.292 51.921 0.371 17822 12924 1 20 . 1 1 2 2 ALA H H 2 8.065 8.065 8.281 -0.216 17822 12925 1 20 . 1 1 3 3 ASP N N 3 119.188 119.188 120.138 -0.950 17822 12926 1 20 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.644 -0.034 17822 12927 1 20 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.923 -1.041 17822 12928 1 20 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.216 -0.406 17822 12929 1 20 . 1 1 3 3 ASP H H 3 8.203 8.203 8.576 -0.373 17822 12930 1 20 . 1 1 4 4 ASP N N 4 121.607 121.607 117.290 4.317 17822 12931 1 20 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.950 -0.578 17822 12932 1 20 . 1 1 4 4 ASP CA C 4 51.761 51.761 51.685 0.076 17822 12933 1 20 . 1 1 4 4 ASP CB C 4 40.910 40.910 43.585 -2.675 17822 12934 1 20 . 1 1 4 4 ASP H H 4 7.954 7.954 7.990 -0.036 17822 12935 1 20 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.428 -0.176 17822 12936 1 20 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.712 -1.343 17822 12937 1 20 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.177 -0.318 17822 12938 1 20 . 1 1 6 6 SER N N 6 115.864 115.864 113.928 1.936 17822 12939 1 20 . 1 1 6 6 SER HA H 6 4.252 4.252 4.427 -0.175 17822 12940 1 20 . 1 1 6 6 SER CA C 6 58.870 58.870 59.291 -0.421 17822 12941 1 20 . 1 1 6 6 SER CB C 6 63.368 63.368 63.061 0.307 17822 12942 1 20 . 1 1 6 6 SER H H 6 8.310 8.310 7.999 0.311 17822 12943 1 20 . 1 1 7 7 ALA N N 7 125.955 125.955 124.860 1.095 17822 12944 1 20 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.390 -0.391 17822 12945 1 20 . 1 1 7 7 ALA CA C 7 53.309 53.309 53.953 -0.644 17822 12946 1 20 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.129 0.422 17822 12947 1 20 . 1 1 7 7 ALA H H 7 7.854 7.854 8.482 -0.628 17822 12948 1 20 . 1 1 8 8 ALA N N 8 122.354 122.354 122.011 0.343 17822 12949 1 20 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.001 -0.204 17822 12950 1 20 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.050 -1.455 17822 12951 1 20 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.090 0.362 17822 12952 1 20 . 1 1 8 8 ALA H H 8 7.910 7.910 7.864 0.046 17822 12953 1 20 . 1 1 9 9 ASP N N 9 119.431 119.431 117.379 2.052 17822 12954 1 20 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.322 -0.003 17822 12955 1 20 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.153 -2.010 17822 12956 1 20 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.284 0.339 17822 12957 1 20 . 1 1 9 9 ASP H H 9 7.970 7.970 7.940 0.030 17822 12958 1 20 . 1 1 10 10 ARG N N 10 122.263 122.263 120.690 1.573 17822 12959 1 20 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.239 -0.403 17822 12960 1 20 . 1 1 10 10 ARG CA C 10 57.781 57.781 59.258 -1.478 17822 12961 1 20 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.417 -0.536 17822 12962 1 20 . 1 1 10 10 ARG H H 10 8.036 8.036 8.000 0.036 17822 12963 1 20 . 1 1 11 11 ASN N N 11 118.325 118.325 117.303 1.022 17822 12964 1 20 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.442 -0.139 17822 12965 1 20 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.963 -0.820 17822 12966 1 20 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.513 -0.711 17822 12967 1 20 . 1 1 11 11 ASN H H 11 8.077 8.077 7.698 0.379 17822 12968 1 20 . 1 1 12 12 VAL N N 12 122.103 122.103 121.314 0.789 17822 12969 1 20 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.599 1.016 17822 12970 1 20 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.460 -0.839 17822 12971 1 20 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.522 -0.036 17822 12972 1 20 . 1 1 12 12 VAL H H 12 7.741 7.741 7.883 -0.142 17822 12973 1 20 . 1 1 13 13 GLU N N 13 120.785 120.785 119.498 1.287 17822 12974 1 20 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.811 -0.577 17822 12975 1 20 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.320 5.741 17822 12976 1 20 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.877 0.891 17822 12977 1 20 . 1 1 13 13 GLU H H 13 7.751 7.751 7.766 -0.015 17822 12978 1 20 . 1 1 14 14 ILE N N 14 120.199 120.199 120.291 -0.092 17822 12979 1 20 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.614 0.174 17822 12980 1 20 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.620 -5.438 17822 12981 1 20 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.363 -1.369 17822 12982 1 20 . 1 1 14 14 ILE H H 14 7.650 7.650 7.165 0.485 17822 12983 1 20 . 1 1 15 15 TRP N N 15 120.828 120.828 117.628 3.200 17822 12984 1 20 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.624 -0.571 17822 12985 1 20 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.576 3.014 17822 12986 1 20 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.689 -0.245 17822 12987 1 20 . 1 1 15 15 TRP H H 15 7.759 7.759 7.141 0.618 17822 12988 1 20 . 1 1 16 16 LYS N N 16 119.063 119.063 122.284 -3.221 17822 12989 1 20 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.167 -0.677 17822 12990 1 20 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.099 1.869 17822 12991 1 20 . 1 1 16 16 LYS CB C 16 32.178 32.178 32.001 0.177 17822 12992 1 20 . 1 1 16 16 LYS H H 16 7.963 7.963 7.723 0.240 17822 12993 1 20 . 1 1 17 17 ILE N N 17 120.609 120.609 119.470 1.139 17822 12994 1 20 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.804 -0.193 17822 12995 1 20 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.645 -1.189 17822 12996 1 20 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.496 -1.198 17822 12997 1 20 . 1 1 17 17 ILE H H 17 7.630 7.630 8.467 -0.837 17822 12998 1 20 . 1 1 18 18 LYS N N 18 121.687 121.687 118.959 2.728 17822 12999 1 20 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.016 -0.433 17822 13000 1 20 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.499 1.431 17822 13001 1 20 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.555 0.527 17822 13002 1 20 . 1 1 18 18 LYS H H 18 8.297 8.297 7.793 0.504 17822 13003 1 20 . 1 1 19 19 LYS N N 19 119.253 119.253 118.595 0.658 17822 13004 1 20 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.132 -0.515 17822 13005 1 20 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.632 0.353 17822 13006 1 20 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.303 -0.445 17822 13007 1 20 . 1 1 19 19 LYS H H 19 7.685 7.685 7.681 0.004 17822 13008 1 20 . 1 1 20 20 LEU N N 20 123.001 123.001 121.880 1.121 17822 13009 1 20 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.101 -0.276 17822 13010 1 20 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.468 0.313 17822 13011 1 20 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.782 -0.371 17822 13012 1 20 . 1 1 20 20 LEU H H 20 7.509 7.509 7.187 0.322 17822 13013 1 20 . 1 1 21 21 ILE N N 21 119.392 119.392 119.257 0.135 17822 13014 1 20 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.729 -0.659 17822 13015 1 20 . 1 1 21 21 ILE CA C 21 66.495 66.495 62.651 3.844 17822 13016 1 20 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.043 1.160 17822 13017 1 20 . 1 1 21 21 ILE H H 21 8.474 8.474 8.315 0.159 17822 13018 1 20 . 1 1 22 22 LYS N N 22 117.524 117.524 118.921 -1.397 17822 13019 1 20 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.039 -0.233 17822 13020 1 20 . 1 1 22 22 LYS CA C 22 58.813 58.813 59.376 -0.563 17822 13021 1 20 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.365 -0.478 17822 13022 1 20 . 1 1 22 22 LYS H H 22 7.300 7.300 7.636 -0.336 17822 13023 1 20 . 1 1 23 23 SER N N 23 114.880 114.880 114.162 0.718 17822 13024 1 20 . 1 1 23 23 SER HA H 23 4.008 4.008 4.267 -0.259 17822 13025 1 20 . 1 1 23 23 SER CA C 23 61.106 61.106 60.701 0.405 17822 13026 1 20 . 1 1 23 23 SER CB C 23 62.587 62.587 63.797 -1.210 17822 13027 1 20 . 1 1 23 23 SER H H 23 7.653 7.653 7.497 0.156 17822 13028 1 20 . 1 1 24 24 LEU N N 24 121.607 121.607 122.627 -1.020 17822 13029 1 20 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.425 0.447 17822 13030 1 20 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.616 -0.753 17822 13031 1 20 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.292 -0.003 17822 13032 1 20 . 1 1 24 24 LEU H H 24 8.158 8.158 7.697 0.461 17822 13033 1 20 . 1 1 25 25 GLU N N 25 119.392 119.392 117.542 1.850 17822 13034 1 20 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.148 -0.267 17822 13035 1 20 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.629 -0.046 17822 13036 1 20 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.344 -0.164 17822 13037 1 20 . 1 1 25 25 GLU H H 25 8.344 8.344 7.801 0.543 17822 13038 1 20 . 1 1 26 26 ALA N N 26 119.228 119.228 119.704 -0.476 17822 13039 1 20 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.378 -0.261 17822 13040 1 20 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.698 0.292 17822 13041 1 20 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.406 -0.453 17822 13042 1 20 . 1 1 26 26 ALA H H 26 7.154 7.154 7.499 -0.345 17822 13043 1 20 . 1 1 27 27 ALA N N 27 121.417 121.417 123.768 -2.351 17822 13044 1 20 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.244 -0.174 17822 13045 1 20 . 1 1 27 27 ALA CA C 27 52.468 52.468 53.219 -0.751 17822 13046 1 20 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.359 -0.056 17822 13047 1 20 . 1 1 27 27 ALA H H 27 6.833 6.833 7.460 -0.627 17822 13048 1 20 . 1 1 28 28 ARG N N 28 123.986 123.986 122.477 1.509 17822 13049 1 20 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.476 0.020 17822 13050 1 20 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.237 -1.068 17822 13051 1 20 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.567 0.394 17822 13052 1 20 . 1 1 28 28 ARG H H 28 8.679 8.679 8.083 0.596 17822 13053 1 20 . 1 1 29 29 GLY N N 29 109.466 109.466 107.197 2.269 17822 13054 1 20 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.829 -0.440 17822 13055 1 20 . 1 1 29 29 GLY H H 29 8.091 8.091 8.186 -0.095 17822 13056 1 20 . 1 1 30 30 ASN N N 30 120.048 120.048 116.937 3.111 17822 13057 1 20 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.585 0.070 17822 13058 1 20 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.151 -1.522 17822 13059 1 20 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.153 -1.351 17822 13060 1 20 . 1 1 30 30 ASN H H 30 8.419 8.419 8.608 -0.189 17822 13061 1 20 . 1 1 31 31 GLY N N 31 110.450 110.450 105.781 4.669 17822 13062 1 20 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.599 -0.913 17822 13063 1 20 . 1 1 31 31 GLY H H 31 8.071 8.071 8.575 -0.504 17822 13064 1 20 . 1 1 32 32 THR N N 32 112.929 112.929 117.092 -4.163 17822 13065 1 20 . 1 1 32 32 THR HA H 32 4.993 4.993 4.675 0.318 17822 13066 1 20 . 1 1 32 32 THR CA C 32 59.598 59.598 59.974 -0.376 17822 13067 1 20 . 1 1 32 32 THR H H 32 7.747 7.747 7.769 -0.022 17822 13068 1 20 . 1 1 33 33 SER N N 33 115.208 115.208 115.305 -0.097 17822 13069 1 20 . 1 1 33 33 SER HA H 33 4.335 4.335 4.713 -0.378 17822 13070 1 20 . 1 1 33 33 SER CA C 33 58.067 58.067 57.383 0.684 17822 13071 1 20 . 1 1 33 33 SER CB C 33 64.572 64.572 64.580 -0.008 17822 13072 1 20 . 1 1 33 33 SER H H 33 7.701 7.701 8.296 -0.595 17822 13073 1 20 . 1 1 34 34 MET N N 34 120.869 120.869 119.977 0.892 17822 13074 1 20 . 1 1 34 34 MET HA H 34 4.666 4.666 4.774 -0.108 17822 13075 1 20 . 1 1 34 34 MET CA C 34 54.799 54.799 53.258 1.541 17822 13076 1 20 . 1 1 34 34 MET CB C 34 34.700 34.700 34.055 0.645 17822 13077 1 20 . 1 1 34 34 MET H H 34 8.679 8.679 8.161 0.518 17822 13078 1 20 . 1 1 35 35 ILE N N 35 126.806 126.806 119.486 7.320 17822 13079 1 20 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.197 1.973 17822 13080 1 20 . 1 1 35 35 ILE CA C 35 59.902 59.902 60.108 -0.206 17822 13081 1 20 . 1 1 35 35 ILE CB C 35 39.673 39.673 40.976 -1.303 17822 13082 1 20 . 1 1 35 35 ILE H H 35 9.562 9.562 7.987 1.575 17822 13083 1 20 . 1 1 36 36 SER N N 36 122.217 122.217 122.019 0.198 17822 13084 1 20 . 1 1 36 36 SER HA H 36 4.968 4.968 5.144 -0.176 17822 13085 1 20 . 1 1 36 36 SER CA C 36 56.602 56.602 57.432 -0.830 17822 13086 1 20 . 1 1 36 36 SER CB C 36 64.572 64.572 64.323 0.249 17822 13087 1 20 . 1 1 36 36 SER H H 36 8.422 8.422 8.175 0.247 17822 13088 1 20 . 1 1 37 37 LEU N N 37 128.938 128.938 124.283 4.655 17822 13089 1 20 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.912 0.070 17822 13090 1 20 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.357 0.124 17822 13091 1 20 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.483 -0.107 17822 13092 1 20 . 1 1 37 37 LEU H H 37 8.916 8.916 7.820 1.096 17822 13093 1 20 . 1 1 38 38 ILE N N 38 128.296 128.296 114.838 13.458 17822 13094 1 20 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.868 0.104 17822 13095 1 20 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.418 0.427 17822 13096 1 20 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.205 -2.200 17822 13097 1 20 . 1 1 38 38 ILE H H 38 8.740 8.740 8.278 0.462 17822 13098 1 20 . 1 1 39 39 ILE N N 39 125.429 125.429 121.634 3.795 17822 13099 1 20 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.591 -0.192 17822 13100 1 20 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.415 -0.692 17822 13101 1 20 . 1 1 39 39 ILE CB C 39 40.661 40.661 37.601 3.060 17822 13102 1 20 . 1 1 39 39 ILE H H 39 8.960 8.960 7.989 0.971 17822 13103 1 20 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.766 -0.359 17822 13104 1 20 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.581 5.601 17822 13105 1 20 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.124 0.248 17822 13106 1 20 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.401 -0.580 17822 13107 1 20 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.472 3.343 17822 13108 1 20 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.796 0.381 17822 13109 1 20 . 1 1 42 42 LYS N N 42 113.683 113.683 117.577 -3.894 17822 13110 1 20 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.411 -0.455 17822 13111 1 20 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.220 0.586 17822 13112 1 20 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.355 -2.173 17822 13113 1 20 . 1 1 42 42 LYS H H 42 8.004 8.004 8.291 -0.287 17822 13114 1 20 . 1 1 43 43 ASP N N 43 121.628 121.628 117.721 3.907 17822 13115 1 20 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.774 -0.339 17822 13116 1 20 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.069 -0.563 17822 13117 1 20 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.843 -1.627 17822 13118 1 20 . 1 1 43 43 ASP H H 43 7.290 7.290 7.488 -0.198 17822 13119 1 20 . 1 1 44 44 GLN N N 44 117.587 117.587 117.624 -0.037 17822 13120 1 20 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.611 -0.074 17822 13121 1 20 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.336 -0.397 17822 13122 1 20 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.407 0.137 17822 13123 1 20 . 1 1 44 44 GLN H H 44 9.610 9.610 8.337 1.273 17822 13124 1 20 . 1 1 45 45 ILE N N 45 126.939 126.939 122.013 4.926 17822 13125 1 20 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.695 -0.394 17822 13126 1 20 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.245 0.039 17822 13127 1 20 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.152 -1.519 17822 13128 1 20 . 1 1 45 45 ILE H H 45 8.806 8.806 9.031 -0.225 17822 13129 1 20 . 1 1 46 46 SER N N 46 113.239 113.239 115.043 -1.804 17822 13130 1 20 . 1 1 46 46 SER HA H 46 3.931 3.931 4.164 -0.233 17822 13131 1 20 . 1 1 46 46 SER CA C 46 60.762 60.762 61.731 -0.969 17822 13132 1 20 . 1 1 46 46 SER CB C 46 61.464 61.464 62.968 -1.504 17822 13133 1 20 . 1 1 46 46 SER H H 46 8.476 8.476 8.448 0.028 17822 13134 1 20 . 1 1 47 47 ARG N N 47 124.530 124.530 122.924 1.606 17822 13135 1 20 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.060 -0.269 17822 13136 1 20 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.849 0.078 17822 13137 1 20 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.388 1.195 17822 13138 1 20 . 1 1 47 47 ARG H H 47 6.731 6.731 7.357 -0.626 17822 13139 1 20 . 1 1 48 48 VAL N N 48 121.935 121.935 119.027 2.908 17822 13140 1 20 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.680 -0.533 17822 13141 1 20 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.790 -0.582 17822 13142 1 20 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.133 0.335 17822 13143 1 20 . 1 1 48 48 VAL H H 48 7.257 7.257 7.655 -0.398 17822 13144 1 20 . 1 1 49 49 ALA N N 49 122.345 122.345 119.764 2.581 17822 13145 1 20 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.021 -0.139 17822 13146 1 20 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.849 0.294 17822 13147 1 20 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.259 -0.609 17822 13148 1 20 . 1 1 49 49 ALA H H 49 8.864 8.864 7.716 1.148 17822 13149 1 20 . 1 1 50 50 LYS N N 50 120.376 120.376 119.881 0.495 17822 13150 1 20 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.180 -0.277 17822 13151 1 20 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.654 0.273 17822 13152 1 20 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.465 -0.879 17822 13153 1 20 . 1 1 50 50 LYS H H 50 7.380 7.380 7.817 -0.437 17822 13154 1 20 . 1 1 51 51 MET N N 51 121.641 121.641 118.175 3.466 17822 13155 1 20 . 1 1 51 51 MET HA H 51 3.935 3.935 4.140 -0.205 17822 13156 1 20 . 1 1 51 51 MET CA C 51 58.927 58.927 58.649 0.278 17822 13157 1 20 . 1 1 51 51 MET CB C 51 30.734 30.734 32.045 -1.311 17822 13158 1 20 . 1 1 51 51 MET H H 51 7.508 7.508 8.333 -0.825 17822 13159 1 20 . 1 1 52 52 LEU N N 52 120.125 120.125 120.197 -0.072 17822 13160 1 20 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.190 -0.533 17822 13161 1 20 . 1 1 52 52 LEU CA C 52 57.437 57.437 57.044 0.393 17822 13162 1 20 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.848 -0.294 17822 13163 1 20 . 1 1 52 52 LEU H H 52 8.203 8.203 7.799 0.404 17822 13164 1 20 . 1 1 53 53 ALA N N 53 123.639 123.639 121.956 1.683 17822 13165 1 20 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.857 0.088 17822 13166 1 20 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.399 -0.600 17822 13167 1 20 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.790 -0.541 17822 13168 1 20 . 1 1 53 53 ALA H H 53 7.775 7.775 7.598 0.177 17822 13169 1 20 . 1 1 54 54 ASP N N 54 123.165 123.165 118.024 5.141 17822 13170 1 20 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.401 -0.072 17822 13171 1 20 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.064 0.143 17822 13172 1 20 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.712 -1.607 17822 13173 1 20 . 1 1 54 54 ASP H H 54 8.156 8.156 7.679 0.477 17822 13174 1 20 . 1 1 55 55 GLU N N 55 122.017 122.017 119.204 2.813 17822 13175 1 20 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.053 -0.177 17822 13176 1 20 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.909 -0.326 17822 13177 1 20 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.443 -0.424 17822 13178 1 20 . 1 1 55 55 GLU H H 55 8.221 8.221 7.609 0.612 17822 13179 1 20 . 1 1 56 56 PHE N N 56 123.334 123.334 121.490 1.844 17822 13180 1 20 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.248 0.433 17822 13181 1 20 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.272 0.243 17822 13182 1 20 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.887 0.325 17822 13183 1 20 . 1 1 56 56 PHE H H 56 8.711 8.711 8.045 0.666 17822 13184 1 20 . 1 1 57 57 GLY N N 57 107.156 107.156 106.186 0.970 17822 13185 1 20 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.444 0.039 17822 13186 1 20 . 1 1 57 57 GLY H H 57 7.985 7.985 8.046 -0.061 17822 13187 1 20 . 1 1 58 58 THR N N 58 118.940 118.940 115.967 2.973 17822 13188 1 20 . 1 1 58 58 THR HA H 58 4.062 4.062 4.261 -0.199 17822 13189 1 20 . 1 1 58 58 THR CA C 58 65.406 65.406 65.203 0.203 17822 13190 1 20 . 1 1 58 58 THR CB C 58 68.408 68.408 68.943 -0.535 17822 13191 1 20 . 1 1 58 58 THR H H 58 7.992 7.992 7.765 0.227 17822 13192 1 20 . 1 1 59 59 ALA N N 59 126.365 126.365 124.992 1.373 17822 13193 1 20 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.116 -0.188 17822 13194 1 20 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.452 -0.513 17822 13195 1 20 . 1 1 59 59 ALA CB C 59 18.151 18.151 18.018 0.133 17822 13196 1 20 . 1 1 59 59 ALA H H 59 8.351 8.351 7.782 0.569 17822 13197 1 20 . 1 1 60 60 SER N N 60 112.435 112.435 112.900 -0.465 17822 13198 1 20 . 1 1 60 60 SER HA H 60 4.632 4.632 4.109 0.523 17822 13199 1 20 . 1 1 60 60 SER CA C 60 61.220 61.220 59.896 1.324 17822 13200 1 20 . 1 1 60 60 SER CB C 60 62.686 62.686 62.759 -0.073 17822 13201 1 20 . 1 1 60 60 SER H H 60 7.459 7.459 7.887 -0.428 17822 13202 1 20 . 1 1 61 61 ASN N N 61 116.971 116.971 119.735 -2.764 17822 13203 1 20 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.656 -0.143 17822 13204 1 20 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.454 -0.432 17822 13205 1 20 . 1 1 61 61 ASN CB C 61 39.005 39.005 39.043 -0.038 17822 13206 1 20 . 1 1 61 61 ASN H H 61 7.372 7.372 7.478 -0.106 17822 13207 1 20 . 1 1 62 62 ILE N N 62 123.980 123.980 121.772 2.208 17822 13208 1 20 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.850 -0.214 17822 13209 1 20 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.309 1.119 17822 13210 1 20 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.985 -0.555 17822 13211 1 20 . 1 1 62 62 ILE H H 62 7.461 7.461 7.386 0.075 17822 13212 1 20 . 1 1 63 63 LYS N N 63 128.982 128.982 125.103 3.879 17822 13213 1 20 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.100 -0.303 17822 13214 1 20 . 1 1 63 63 LYS CA C 63 58.698 58.698 57.989 0.709 17822 13215 1 20 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.507 0.199 17822 13216 1 20 . 1 1 63 63 LYS H H 63 8.417 8.417 8.350 0.067 17822 13217 1 20 . 1 1 64 64 SER N N 64 114.306 114.306 118.272 -3.966 17822 13218 1 20 . 1 1 64 64 SER HA H 64 4.616 4.616 4.536 0.080 17822 13219 1 20 . 1 1 64 64 SER CA C 64 56.749 56.749 57.511 -0.762 17822 13220 1 20 . 1 1 64 64 SER CB C 64 62.962 62.962 62.778 0.184 17822 13221 1 20 . 1 1 64 64 SER H H 64 7.599 7.599 7.984 -0.385 17822 13222 1 20 . 1 1 65 65 ARG N N 65 132.125 132.125 128.265 3.860 17822 13223 1 20 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.903 0.403 17822 13224 1 20 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.655 0.247 17822 13225 1 20 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.975 3.123 17822 13226 1 20 . 1 1 65 65 ARG H H 65 8.689 8.689 8.631 0.058 17822 13227 1 20 . 1 1 66 66 VAL N N 66 116.947 116.947 119.276 -2.329 17822 13228 1 20 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.600 -0.049 17822 13229 1 20 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.722 -1.259 17822 13230 1 20 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.277 0.309 17822 13231 1 20 . 1 1 66 66 VAL H H 66 7.946 7.946 8.199 -0.253 17822 13232 1 20 . 1 1 67 67 ASN N N 67 119.499 119.499 117.169 2.330 17822 13233 1 20 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.410 0.002 17822 13234 1 20 . 1 1 67 67 ASN CA C 67 55.373 55.373 55.836 -0.463 17822 13235 1 20 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.347 -0.311 17822 13236 1 20 . 1 1 67 67 ASN H H 67 7.386 7.386 7.749 -0.363 17822 13237 1 20 . 1 1 68 68 ARG N N 68 122.132 122.132 121.886 0.246 17822 13238 1 20 . 1 1 68 68 ARG HA H 68 3.594 3.594 4.011 -0.417 17822 13239 1 20 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.382 0.416 17822 13240 1 20 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.078 0.481 17822 13241 1 20 . 1 1 68 68 ARG H H 68 8.566 8.566 7.740 0.826 17822 13242 1 20 . 1 1 69 69 LEU N N 69 116.564 116.564 118.836 -2.272 17822 13243 1 20 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.289 -0.506 17822 13244 1 20 . 1 1 69 69 LEU CA C 69 57.895 57.895 56.948 0.947 17822 13245 1 20 . 1 1 69 69 LEU CB C 69 40.609 40.609 41.238 -0.629 17822 13246 1 20 . 1 1 69 69 LEU H H 69 8.167 8.167 8.587 -0.420 17822 13247 1 20 . 1 1 70 70 SER N N 70 116.805 116.805 114.766 2.039 17822 13248 1 20 . 1 1 70 70 SER HA H 70 4.132 4.132 4.270 -0.138 17822 13249 1 20 . 1 1 70 70 SER CA C 70 61.450 61.450 61.014 0.436 17822 13250 1 20 . 1 1 70 70 SER CB C 70 62.635 62.635 62.906 -0.271 17822 13251 1 20 . 1 1 70 70 SER H H 70 7.589 7.589 7.569 0.020 17822 13252 1 20 . 1 1 71 71 VAL N N 71 124.991 124.991 123.208 1.783 17822 13253 1 20 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.940 -0.457 17822 13254 1 20 . 1 1 71 71 VAL CA C 71 66.839 66.839 65.151 1.688 17822 13255 1 20 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.837 -0.188 17822 13256 1 20 . 1 1 71 71 VAL H H 71 7.934 7.934 8.159 -0.225 17822 13257 1 20 . 1 1 72 72 LEU N N 72 118.680 118.680 119.473 -0.793 17822 13258 1 20 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.051 -0.330 17822 13259 1 20 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.682 0.557 17822 13260 1 20 . 1 1 72 72 LEU CB C 72 40.298 40.298 41.056 -0.758 17822 13261 1 20 . 1 1 72 72 LEU H H 72 8.354 8.354 8.102 0.252 17822 13262 1 20 . 1 1 73 73 GLY N N 73 106.674 106.674 106.395 0.279 17822 13263 1 20 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.267 -0.322 17822 13264 1 20 . 1 1 73 73 GLY H H 73 8.052 8.052 7.895 0.157 17822 13265 1 20 . 1 1 74 74 ALA N N 74 127.313 127.313 124.160 3.153 17822 13266 1 20 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.031 0.122 17822 13267 1 20 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.631 0.742 17822 13268 1 20 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.701 -0.895 17822 13269 1 20 . 1 1 74 74 ALA H H 74 7.784 7.784 7.393 0.391 17822 13270 1 20 . 1 1 75 75 ILE N N 75 119.310 119.310 119.355 -0.045 17822 13271 1 20 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.633 -0.271 17822 13272 1 20 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.933 0.677 17822 13273 1 20 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.128 0.296 17822 13274 1 20 . 1 1 75 75 ILE H H 75 8.638 8.638 8.165 0.473 17822 13275 1 20 . 1 1 76 76 THR N N 76 116.205 116.205 112.225 3.980 17822 13276 1 20 . 1 1 76 76 THR HA H 76 4.227 4.227 3.940 0.287 17822 13277 1 20 . 1 1 76 76 THR CA C 76 66.782 66.782 66.690 0.092 17822 13278 1 20 . 1 1 76 76 THR CB C 76 68.478 68.478 68.452 0.026 17822 13279 1 20 . 1 1 76 76 THR H H 76 8.317 8.317 8.320 -0.003 17822 13280 1 20 . 1 1 77 77 SER N N 77 118.405 118.405 118.983 -0.578 17822 13281 1 20 . 1 1 77 77 SER HA H 77 4.173 4.173 4.211 -0.038 17822 13282 1 20 . 1 1 77 77 SER CA C 77 62.482 62.482 61.641 0.841 17822 13283 1 20 . 1 1 77 77 SER CB C 77 63.484 63.484 63.144 0.340 17822 13284 1 20 . 1 1 77 77 SER H H 77 7.843 7.843 7.546 0.297 17822 13285 1 20 . 1 1 78 78 VAL N N 78 124.171 124.171 122.816 1.355 17822 13286 1 20 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.765 -0.192 17822 13287 1 20 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.257 1.467 17822 13288 1 20 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.788 -0.804 17822 13289 1 20 . 1 1 78 78 VAL H H 78 8.153 8.153 8.428 -0.275 17822 13290 1 20 . 1 1 79 79 GLN N N 79 120.008 120.008 118.602 1.406 17822 13291 1 20 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.867 0.062 17822 13292 1 20 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.849 -0.463 17822 13293 1 20 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.459 0.320 17822 13294 1 20 . 1 1 79 79 GLN H H 79 8.688 8.688 8.560 0.128 17822 13295 1 20 . 1 1 80 80 GLN N N 80 116.870 116.870 117.925 -1.055 17822 13296 1 20 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.017 -0.242 17822 13297 1 20 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.874 -0.348 17822 13298 1 20 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.453 -0.476 17822 13299 1 20 . 1 1 80 80 GLN H H 80 7.850 7.850 7.747 0.103 17822 13300 1 20 . 1 1 81 81 ARG N N 81 119.074 119.074 119.738 -0.664 17822 13301 1 20 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.098 -0.106 17822 13302 1 20 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.844 -2.210 17822 13303 1 20 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.158 -1.836 17822 13304 1 20 . 1 1 81 81 ARG H H 81 7.520 7.520 7.430 0.090 17822 13305 1 20 . 1 1 82 82 LEU N N 82 117.238 117.238 118.594 -1.356 17822 13306 1 20 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.332 -0.441 17822 13307 1 20 . 1 1 82 82 LEU CA C 82 57.437 57.437 57.873 -0.436 17822 13308 1 20 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.121 -0.311 17822 13309 1 20 . 1 1 82 82 LEU H H 82 8.189 8.189 8.239 -0.050 17822 13310 1 20 . 1 1 83 83 LYS N N 83 114.899 114.899 118.882 -3.983 17822 13311 1 20 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.047 -0.102 17822 13312 1 20 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.947 -1.280 17822 13313 1 20 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.256 -0.269 17822 13314 1 20 . 1 1 83 83 LYS H H 83 7.064 7.064 7.468 -0.404 17822 13315 1 20 . 1 1 84 84 LEU N N 84 117.840 117.840 118.016 -0.176 17822 13316 1 20 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.027 -0.154 17822 13317 1 20 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.073 -0.758 17822 13318 1 20 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.391 -0.462 17822 13319 1 20 . 1 1 84 84 LEU H H 84 7.271 7.271 7.734 -0.463 17822 13320 1 20 . 1 1 85 85 TYR N N 85 119.720 119.720 116.901 2.819 17822 13321 1 20 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.566 -0.311 17822 13322 1 20 . 1 1 85 85 TYR CA C 85 58.067 58.067 56.216 1.851 17822 13323 1 20 . 1 1 85 85 TYR CB C 85 39.068 39.068 36.029 3.039 17822 13324 1 20 . 1 1 85 85 TYR H H 85 7.633 7.633 7.124 0.509 17822 13325 1 20 . 1 1 86 86 ASN N N 86 119.638 119.638 118.136 1.502 17822 13326 1 20 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.410 0.064 17822 13327 1 20 . 1 1 86 86 ASN CA C 86 53.882 53.882 55.897 -2.015 17822 13328 1 20 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.801 -0.059 17822 13329 1 20 . 1 1 86 86 ASN H H 86 8.622 8.622 7.947 0.675 17822 13330 1 20 . 1 1 87 87 LYS N N 87 116.321 116.321 118.219 -1.898 17822 13331 1 20 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.343 0.155 17822 13332 1 20 . 1 1 87 87 LYS CA C 87 54.169 54.169 56.043 -1.874 17822 13333 1 20 . 1 1 87 87 LYS CB C 87 34.673 34.673 33.915 0.758 17822 13334 1 20 . 1 1 87 87 LYS H H 87 7.631 7.631 7.878 -0.247 17822 13335 1 20 . 1 1 88 88 VAL N N 88 125.141 125.141 120.985 4.156 17822 13336 1 20 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.421 -0.799 17822 13337 1 20 . 1 1 88 88 VAL CA C 88 61.966 61.966 57.627 4.339 17822 13338 1 20 . 1 1 88 88 VAL CB C 88 32.288 32.288 30.463 1.825 17822 13339 1 20 . 1 1 88 88 VAL H H 88 8.357 8.357 8.374 -0.017 17822 13340 1 20 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.774 -0.521 17822 13341 1 20 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.427 1.913 17822 13342 1 20 . 1 1 89 89 PRO CB C 89 31.554 31.554 31.709 -0.155 17822 13343 1 20 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.263 0.237 17822 13344 1 20 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.275 0.704 17822 13345 1 20 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.181 0.007 17822 13346 1 20 . 1 1 91 91 ASN N N 91 112.735 112.735 115.133 -2.398 17822 13347 1 20 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.379 0.276 17822 13348 1 20 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.963 -2.088 17822 13349 1 20 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.109 -0.666 17822 13350 1 20 . 1 1 91 91 ASN H H 91 9.163 9.163 8.172 0.991 17822 13351 1 20 . 1 1 92 92 GLY N N 92 108.893 108.893 106.862 2.031 17822 13352 1 20 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.956 -1.516 17822 13353 1 20 . 1 1 92 92 GLY H H 92 7.898 7.898 7.392 0.506 17822 13354 1 20 . 1 1 93 93 LEU N N 93 117.751 117.751 126.239 -8.488 17822 13355 1 20 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.095 0.229 17822 13356 1 20 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.547 -0.780 17822 13357 1 20 . 1 1 93 93 LEU CB C 93 47.527 47.527 41.789 5.738 17822 13358 1 20 . 1 1 93 93 LEU H H 93 8.508 8.508 7.623 0.885 17822 13359 1 20 . 1 1 94 94 VAL N N 94 126.296 126.296 128.637 -2.341 17822 13360 1 20 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.490 -0.140 17822 13361 1 20 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.706 -1.231 17822 13362 1 20 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.105 0.063 17822 13363 1 20 . 1 1 94 94 VAL H H 94 8.168 8.168 7.864 0.304 17822 13364 1 20 . 1 1 95 95 VAL N N 95 125.531 125.531 118.754 6.777 17822 13365 1 20 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.028 -0.888 17822 13366 1 20 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.701 0.602 17822 13367 1 20 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.362 0.833 17822 13368 1 20 . 1 1 95 95 VAL H H 95 8.744 8.744 8.469 0.275 17822 13369 1 20 . 1 1 96 96 TYR N N 96 123.577 123.577 122.830 0.747 17822 13370 1 20 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.654 -0.322 17822 13371 1 20 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.801 0.776 17822 13372 1 20 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.572 -0.952 17822 13373 1 20 . 1 1 96 96 TYR H H 96 8.698 8.698 9.223 -0.525 17822 13374 1 20 . 1 1 97 97 CYS N N 97 120.144 120.144 122.114 -1.970 17822 13375 1 20 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.786 -0.238 17822 13376 1 20 . 1 1 97 97 CYS CA C 97 56.577 56.577 58.053 -1.476 17822 13377 1 20 . 1 1 97 97 CYS CB C 97 31.786 31.786 31.013 0.773 17822 13378 1 20 . 1 1 97 97 CYS H H 97 8.796 8.796 8.496 0.300 17822 13379 1 20 . 1 1 98 98 GLY N N 98 112.534 112.534 113.107 -0.573 17822 13380 1 20 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.648 0.151 17822 13381 1 20 . 1 1 98 98 GLY H H 98 8.776 8.776 8.342 0.434 17822 13382 1 20 . 1 1 99 99 THR N N 99 119.083 119.083 115.913 3.170 17822 13383 1 20 . 1 1 99 99 THR HA H 99 4.821 4.821 5.390 -0.569 17822 13384 1 20 . 1 1 99 99 THR CA C 99 62.294 62.294 62.145 0.149 17822 13385 1 20 . 1 1 99 99 THR CB C 99 69.781 69.781 71.126 -1.345 17822 13386 1 20 . 1 1 99 99 THR H H 99 8.168 8.168 8.296 -0.128 17822 13387 1 20 . 1 1 100 100 ILE N N 100 122.250 122.250 122.435 -0.185 17822 13388 1 20 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.686 -0.109 17822 13389 1 20 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.693 -0.110 17822 13390 1 20 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.712 -0.203 17822 13391 1 20 . 1 1 100 100 ILE H H 100 8.838 8.838 8.537 0.301 17822 13392 1 20 . 1 1 101 101 VAL N N 101 120.622 120.622 124.251 -3.629 17822 13393 1 20 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.755 -0.105 17822 13394 1 20 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.226 1.364 17822 13395 1 20 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.646 -1.757 17822 13396 1 20 . 1 1 101 101 VAL H H 101 8.310 8.310 8.348 -0.038 17822 13397 1 20 . 1 1 102 102 THR N N 102 118.661 118.661 119.795 -1.134 17822 13398 1 20 . 1 1 102 102 THR HA H 102 4.658 4.658 4.655 0.003 17822 13399 1 20 . 1 1 102 102 THR CA C 102 60.590 60.590 60.362 0.228 17822 13400 1 20 . 1 1 102 102 THR CB C 102 71.189 71.189 70.390 0.799 17822 13401 1 20 . 1 1 102 102 THR H H 102 8.867 8.867 8.101 0.766 17822 13402 1 20 . 1 1 103 103 GLU N N 103 121.906 121.906 121.145 0.761 17822 13403 1 20 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.115 -0.197 17822 13404 1 20 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.803 0.124 17822 13405 1 20 . 1 1 103 103 GLU CB C 103 28.930 28.930 28.973 -0.043 17822 13406 1 20 . 1 1 103 103 GLU H H 103 9.243 9.243 8.835 0.408 17822 13407 1 20 . 1 1 104 104 GLU N N 104 116.013 116.013 118.359 -2.346 17822 13408 1 20 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.150 0.024 17822 13409 1 20 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.168 0.065 17822 13410 1 20 . 1 1 104 104 GLU CB C 104 29.467 29.467 28.999 0.468 17822 13411 1 20 . 1 1 104 104 GLU H H 104 7.716 7.716 7.946 -0.230 17822 13412 1 20 . 1 1 105 105 GLY N N 105 109.001 109.001 107.942 1.059 17822 13413 1 20 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.494 -0.789 17822 13414 1 20 . 1 1 105 105 GLY H H 105 8.045 8.045 7.846 0.199 17822 13415 1 20 . 1 1 106 106 LYS N N 106 119.559 119.559 118.661 0.898 17822 13416 1 20 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.665 -0.334 17822 13417 1 20 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.445 0.010 17822 13418 1 20 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.551 -0.129 17822 13419 1 20 . 1 1 106 106 LYS H H 106 6.924 6.924 7.552 -0.628 17822 13420 1 20 . 1 1 107 107 GLU N N 107 121.771 121.771 124.963 -3.192 17822 13421 1 20 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.340 0.614 17822 13422 1 20 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.397 -0.795 17822 13423 1 20 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.466 0.819 17822 13424 1 20 . 1 1 107 107 GLU H H 107 8.371 8.371 8.706 -0.335 17822 13425 1 20 . 1 1 108 108 LYS N N 108 125.216 125.216 121.391 3.825 17822 13426 1 20 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.389 0.051 17822 13427 1 20 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.425 -0.339 17822 13428 1 20 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.131 1.784 17822 13429 1 20 . 1 1 108 108 LYS H H 108 8.946 8.946 7.997 0.949 17822 13430 1 20 . 1 1 109 109 LYS N N 109 125.136 125.136 127.819 -2.683 17822 13431 1 20 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.525 0.111 17822 13432 1 20 . 1 1 109 109 LYS CA C 109 55.774 55.774 55.905 -0.131 17822 13433 1 20 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.223 0.577 17822 13434 1 20 . 1 1 109 109 LYS H H 109 8.548 8.548 8.567 -0.019 17822 13435 1 20 . 1 1 110 110 VAL N N 110 125.626 125.626 127.808 -2.182 17822 13436 1 20 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.166 -0.090 17822 13437 1 20 . 1 1 110 110 VAL CA C 110 61.564 61.564 61.700 -0.137 17822 13438 1 20 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.783 1.109 17822 13439 1 20 . 1 1 110 110 VAL H H 110 8.850 8.850 9.034 -0.184 17822 13440 1 20 . 1 1 111 111 ASN N N 111 126.837 126.837 126.089 0.748 17822 13441 1 20 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.444 -0.156 17822 13442 1 20 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.247 1.062 17822 13443 1 20 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.051 0.418 17822 13444 1 20 . 1 1 111 111 ASN H H 111 8.711 8.711 8.432 0.279 17822 13445 1 20 . 1 1 112 112 ILE N N 112 125.729 125.729 124.477 1.252 17822 13446 1 20 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.522 -0.138 17822 13447 1 20 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.133 -0.944 17822 13448 1 20 . 1 1 112 112 ILE CB C 112 41.852 41.852 42.236 -0.384 17822 13449 1 20 . 1 1 112 112 ILE H H 112 8.931 8.931 8.595 0.336 17822 13450 1 20 . 1 1 113 113 ASP N N 113 122.734 122.734 123.552 -0.818 17822 13451 1 20 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.949 -0.159 17822 13452 1 20 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.566 -1.361 17822 13453 1 20 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.723 -0.202 17822 13454 1 20 . 1 1 113 113 ASP H H 113 8.116 8.116 8.465 -0.349 17822 13455 1 20 . 1 1 114 114 PHE N N 114 116.385 116.385 117.958 -1.573 17822 13456 1 20 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.694 0.009 17822 13457 1 20 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.494 -0.032 17822 13458 1 20 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.956 -1.249 17822 13459 1 20 . 1 1 114 114 PHE H H 114 8.613 8.613 8.188 0.425 17822 13460 1 20 . 1 1 115 115 GLU N N 115 124.642 124.642 120.227 4.415 17822 13461 1 20 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.318 0.475 17822 13462 1 20 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.432 -1.729 17822 13463 1 20 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.502 1.623 17822 13464 1 20 . 1 1 115 115 GLU H H 115 8.591 8.591 8.308 0.283 17822 13465 1 20 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.217 0.366 17822 13466 1 20 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.440 -0.089 17822 13467 1 20 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.200 -1.238 17822 13468 1 20 . 1 1 117 117 PHE N N 117 116.676 116.676 115.115 1.561 17822 13469 1 20 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.507 -0.313 17822 13470 1 20 . 1 1 117 117 PHE CA C 117 58.639 58.639 58.077 0.562 17822 13471 1 20 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.111 -1.359 17822 13472 1 20 . 1 1 117 117 PHE H H 117 7.842 7.842 8.287 -0.445 17822 13473 1 20 . 1 1 118 118 LYS N N 118 118.589 118.589 119.929 -1.340 17822 13474 1 20 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.275 -0.092 17822 13475 1 20 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.413 -0.079 17822 13476 1 20 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.285 1.908 17822 13477 1 20 . 1 1 118 118 LYS H H 118 6.889 6.889 7.024 -0.135 17822 13478 1 20 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.451 0.072 17822 13479 1 20 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.271 0.345 17822 13480 1 20 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.328 -0.156 17822 13481 1 20 . 1 1 120 120 ILE N N 120 121.968 121.968 121.821 0.147 17822 13482 1 20 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.095 -0.189 17822 13483 1 20 . 1 1 120 120 ILE CA C 120 60.418 60.418 59.320 1.098 17822 13484 1 20 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.176 0.629 17822 13485 1 20 . 1 1 120 120 ILE H H 120 7.440 7.440 7.821 -0.381 17822 13486 1 20 . 1 1 121 121 ASN N N 121 120.951 120.951 123.302 -2.351 17822 13487 1 20 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.501 0.131 17822 13488 1 20 . 1 1 121 121 ASN CA C 121 53.882 53.882 54.568 -0.686 17822 13489 1 20 . 1 1 121 121 ASN CB C 121 39.298 39.298 39.089 0.209 17822 13490 1 20 . 1 1 121 121 ASN H H 121 8.112 8.112 8.497 -0.385 17822 13491 1 20 . 1 1 122 122 GLN N N 122 118.826 118.826 115.405 3.421 17822 13492 1 20 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.371 0.041 17822 13493 1 20 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.743 -0.345 17822 13494 1 20 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.817 0.669 17822 13495 1 20 . 1 1 122 122 GLN H H 122 7.009 7.009 7.644 -0.635 17822 13496 1 20 . 1 1 123 123 PHE N N 123 122.795 122.795 118.641 4.154 17822 13497 1 20 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.445 0.269 17822 13498 1 20 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.263 -1.056 17822 13499 1 20 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.999 0.719 17822 13500 1 20 . 1 1 123 123 PHE H H 123 8.335 8.335 8.860 -0.525 17822 13501 1 20 . 1 1 124 124 MET N N 124 126.990 126.990 126.965 0.025 17822 13502 1 20 . 1 1 124 124 MET HA H 124 3.984 3.984 4.509 -0.525 17822 13503 1 20 . 1 1 124 124 MET CA C 124 54.799 54.799 54.345 0.454 17822 13504 1 20 . 1 1 124 124 MET CB C 124 37.330 37.330 35.958 1.372 17822 13505 1 20 . 1 1 124 124 MET H H 124 7.992 7.992 8.530 -0.538 17822 13506 1 20 . 1 1 125 125 TYR N N 125 122.216 122.216 125.709 -3.493 17822 13507 1 20 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.511 0.393 17822 13508 1 20 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.290 -0.541 17822 13509 1 20 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.251 0.902 17822 13510 1 20 . 1 1 125 125 TYR H H 125 7.552 7.552 8.152 -0.600 17822 13511 1 20 . 1 1 126 126 PHE N N 126 124.584 124.584 118.776 5.808 17822 13512 1 20 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.708 -0.633 17822 13513 1 20 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.758 0.647 17822 13514 1 20 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.393 4.026 17822 13515 1 20 . 1 1 126 126 PHE H H 126 8.271 8.271 6.701 1.570 17822 13516 1 20 . 1 1 127 127 CYS N N 127 124.011 124.011 120.303 3.708 17822 13517 1 20 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.526 0.270 17822 13518 1 20 . 1 1 127 127 CYS CA C 127 57.840 57.840 58.653 -0.813 17822 13519 1 20 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.433 -4.502 17822 13520 1 20 . 1 1 127 127 CYS H H 127 8.442 8.442 8.883 -0.441 17822 13521 1 20 . 1 1 128 128 ASP N N 128 127.486 127.486 122.091 5.395 17822 13522 1 20 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.548 0.458 17822 13523 1 20 . 1 1 128 128 ASP CA C 128 52.506 52.506 55.097 -2.591 17822 13524 1 20 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.411 2.985 17822 13525 1 20 . 1 1 128 128 ASP H H 128 8.907 8.907 8.449 0.458 17822 13526 1 20 . 1 1 129 129 ASN N N 129 119.092 119.092 119.328 -0.236 17822 13527 1 20 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.410 0.254 17822 13528 1 20 . 1 1 129 129 ASN CA C 129 52.735 52.735 53.963 -1.228 17822 13529 1 20 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.913 -0.011 17822 13530 1 20 . 1 1 129 129 ASN H H 129 9.136 9.136 8.894 0.242 17822 13531 1 20 . 1 1 130 130 LYS N N 130 114.367 114.367 113.896 0.471 17822 13532 1 20 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.383 -0.220 17822 13533 1 20 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.293 -1.067 17822 13534 1 20 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.129 -0.037 17822 13535 1 20 . 1 1 130 130 LYS H H 130 7.115 7.115 7.262 -0.147 17822 13536 1 20 . 1 1 131 131 PHE N N 131 121.117 121.117 121.039 0.078 17822 13537 1 20 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.474 0.041 17822 13538 1 20 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.299 -2.149 17822 13539 1 20 . 1 1 131 131 PHE CB C 131 39.089 39.089 39.948 -0.859 17822 13540 1 20 . 1 1 131 131 PHE H H 131 9.291 9.291 8.767 0.524 17822 13541 1 20 . 1 1 132 132 HIS N N 132 121.897 121.897 125.461 -3.564 17822 13542 1 20 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.859 -0.476 17822 13543 1 20 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.462 0.541 17822 13544 1 20 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.844 -2.501 17822 13545 1 20 . 1 1 132 132 HIS H H 132 9.026 9.026 8.468 0.558 17822 13546 1 20 . 1 1 133 133 THR N N 133 117.915 117.915 118.083 -0.168 17822 13547 1 20 . 1 1 133 133 THR HA H 133 4.612 4.612 4.686 -0.074 17822 13548 1 20 . 1 1 133 133 THR CA C 133 61.679 61.679 61.738 -0.059 17822 13549 1 20 . 1 1 133 133 THR CB C 133 73.856 73.856 70.396 3.460 17822 13550 1 20 . 1 1 133 133 THR H H 133 8.700 8.700 8.559 0.141 17822 13551 1 20 . 1 1 134 134 GLU N N 134 129.072 129.072 128.349 0.723 17822 13552 1 20 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.240 -0.261 17822 13553 1 20 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.136 1.397 17822 13554 1 20 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.806 -2.303 17822 13555 1 20 . 1 1 134 134 GLU H H 134 10.805 10.805 8.453 2.352 17822 13556 1 20 . 1 1 135 135 ALA N N 135 122.099 122.099 122.179 -0.080 17822 13557 1 20 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.039 0.032 17822 13558 1 20 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.161 -0.648 17822 13559 1 20 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.710 1.051 17822 13560 1 20 . 1 1 135 135 ALA H H 135 8.590 8.590 8.641 -0.051 17822 13561 1 20 . 1 1 136 136 LEU N N 136 116.720 116.720 117.836 -1.116 17822 13562 1 20 . 1 1 136 136 LEU HA H 136 4.054 4.054 3.971 0.083 17822 13563 1 20 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.965 -1.388 17822 13564 1 20 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.519 -0.208 17822 13565 1 20 . 1 1 136 136 LEU H H 136 7.471 7.471 7.833 -0.362 17822 13566 1 20 . 1 1 137 137 THR N N 137 117.177 117.177 112.789 4.388 17822 13567 1 20 . 1 1 137 137 THR HA H 137 4.005 4.005 4.023 -0.018 17822 13568 1 20 . 1 1 137 137 THR CA C 137 66.610 66.610 65.415 1.195 17822 13569 1 20 . 1 1 137 137 THR CB C 137 67.980 67.980 68.849 -0.869 17822 13570 1 20 . 1 1 137 137 THR H H 137 8.044 8.044 7.599 0.445 17822 13571 1 20 . 1 1 138 138 ALA N N 138 124.719 124.719 124.632 0.087 17822 13572 1 20 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.144 -0.143 17822 13573 1 20 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.893 0.021 17822 13574 1 20 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.642 -1.145 17822 13575 1 20 . 1 1 138 138 ALA H H 138 7.695 7.695 8.236 -0.541 17822 13576 1 20 . 1 1 139 139 LEU N N 139 120.059 120.059 120.339 -0.280 17822 13577 1 20 . 1 1 139 139 LEU HA H 139 3.999 3.999 3.973 0.026 17822 13578 1 20 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.058 -0.564 17822 13579 1 20 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.865 0.946 17822 13580 1 20 . 1 1 139 139 LEU H H 139 7.345 7.345 8.306 -0.961 17822 13581 1 20 . 1 1 140 140 LEU N N 140 117.771 117.771 117.740 0.031 17822 13582 1 20 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.938 0.019 17822 13583 1 20 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.307 -1.329 17822 13584 1 20 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.427 -0.188 17822 13585 1 20 . 1 1 140 140 LEU H H 140 7.748 7.748 7.921 -0.173 17822 13586 1 20 . 1 1 141 141 SER N N 141 114.778 114.778 113.161 1.617 17822 13587 1 20 . 1 1 141 141 SER HA H 141 4.107 4.107 4.191 -0.084 17822 13588 1 20 . 1 1 141 141 SER CA C 141 60.647 60.647 60.826 -0.179 17822 13589 1 20 . 1 1 141 141 SER CB C 141 62.650 62.650 63.196 -0.546 17822 13590 1 20 . 1 1 141 141 SER H H 141 7.807 7.807 7.548 0.259 17822 13591 1 20 . 1 1 142 142 ASP N N 142 121.827 121.827 121.680 0.147 17822 13592 1 20 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.482 -0.124 17822 13593 1 20 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.817 -0.756 17822 13594 1 20 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.149 -0.540 17822 13595 1 20 . 1 1 142 142 ASP H H 142 7.878 7.878 8.267 -0.389 17822 13596 1 20 . 1 1 143 143 LEU N N 143 120.220 120.220 119.804 0.416 17822 13597 1 20 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.113 -0.141 17822 13598 1 20 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.376 0.086 17822 13599 1 20 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.521 -0.307 17822 13600 1 20 . 1 1 143 143 LEU H H 143 7.846 7.846 8.136 -0.290 17822 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 135 2.888 -0.784 2.790 17822 2 1 1 "Average Difference" HA 149 0.370 0.110 0.354 17822 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17822 4 1 1 "Average Difference" CA 142 1.342 0.068 1.345 17822 5 1 1 "Average Difference" CB 133 1.231 0.062 1.234 17822 6 1 1 "Average Difference" HN 135 0.533 -0.083 0.529 17822 7 1 2 "Average Difference" N 135 2.913 -0.785 2.815 17822 8 1 2 "Average Difference" HA 149 0.363 0.112 0.347 17822 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17822 10 1 2 "Average Difference" CA 142 1.370 0.076 1.372 17822 11 1 2 "Average Difference" CB 133 1.233 0.081 1.235 17822 12 1 2 "Average Difference" HN 135 0.517 -0.076 0.513 17822 13 1 3 "Average Difference" N 135 2.844 -0.800 2.739 17822 14 1 3 "Average Difference" HA 149 0.356 0.110 0.340 17822 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17822 16 1 3 "Average Difference" CA 142 1.311 0.077 1.313 17822 17 1 3 "Average Difference" CB 133 1.203 0.069 1.205 17822 18 1 3 "Average Difference" HN 135 0.515 -0.076 0.511 17822 19 1 4 "Average Difference" N 135 2.874 -0.713 2.795 17822 20 1 4 "Average Difference" HA 149 0.362 0.113 0.346 17822 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17822 22 1 4 "Average Difference" CA 142 1.311 0.061 1.314 17822 23 1 4 "Average Difference" CB 133 1.220 0.083 1.221 17822 24 1 4 "Average Difference" HN 135 0.524 -0.068 0.522 17822 25 1 5 "Average Difference" N 135 2.839 -0.737 2.752 17822 26 1 5 "Average Difference" HA 149 0.358 0.110 0.341 17822 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17822 28 1 5 "Average Difference" CA 142 1.370 0.022 1.375 17822 29 1 5 "Average Difference" CB 133 1.291 0.028 1.296 17822 30 1 5 "Average Difference" HN 135 0.529 -0.074 0.526 17822 31 1 6 "Average Difference" N 135 2.910 -0.747 2.823 17822 32 1 6 "Average Difference" HA 149 0.367 0.108 0.352 17822 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17822 34 1 6 "Average Difference" CA 142 1.317 0.049 1.321 17822 35 1 6 "Average Difference" CB 133 1.244 0.071 1.247 17822 36 1 6 "Average Difference" HN 135 0.522 -0.084 0.517 17822 37 1 7 "Average Difference" N 135 2.971 -0.750 2.885 17822 38 1 7 "Average Difference" HA 149 0.362 0.109 0.346 17822 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17822 40 1 7 "Average Difference" CA 142 1.349 0.047 1.353 17822 41 1 7 "Average Difference" CB 133 1.248 0.071 1.251 17822 42 1 7 "Average Difference" HN 135 0.532 -0.084 0.527 17822 43 1 8 "Average Difference" N 135 2.863 -0.704 2.786 17822 44 1 8 "Average Difference" HA 149 0.364 0.104 0.350 17822 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17822 46 1 8 "Average Difference" CA 142 1.289 0.058 1.292 17822 47 1 8 "Average Difference" CB 133 1.214 0.075 1.217 17822 48 1 8 "Average Difference" HN 135 0.508 -0.078 0.503 17822 49 1 9 "Average Difference" N 135 2.923 -0.655 2.859 17822 50 1 9 "Average Difference" HA 149 0.374 0.118 0.357 17822 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17822 52 1 9 "Average Difference" CA 142 1.297 0.048 1.301 17822 53 1 9 "Average Difference" CB 133 1.212 0.044 1.215 17822 54 1 9 "Average Difference" HN 135 0.521 -0.083 0.517 17822 55 1 10 "Average Difference" N 135 2.938 -0.847 2.824 17822 56 1 10 "Average Difference" HA 149 0.370 0.113 0.353 17822 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17822 58 1 10 "Average Difference" CA 142 1.315 0.075 1.318 17822 59 1 10 "Average Difference" CB 133 1.214 0.070 1.217 17822 60 1 10 "Average Difference" HN 135 0.504 -0.086 0.499 17822 61 1 11 "Average Difference" N 135 3.030 -0.729 2.952 17822 62 1 11 "Average Difference" HA 149 0.367 0.115 0.350 17822 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17822 64 1 11 "Average Difference" CA 142 1.395 0.049 1.399 17822 65 1 11 "Average Difference" CB 133 1.172 0.098 1.172 17822 66 1 11 "Average Difference" HN 135 0.524 -0.090 0.518 17822 67 1 12 "Average Difference" N 135 2.978 -0.708 2.903 17822 68 1 12 "Average Difference" HA 149 0.360 0.100 0.347 17822 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17822 70 1 12 "Average Difference" CA 142 1.348 0.038 1.352 17822 71 1 12 "Average Difference" CB 133 1.288 0.034 1.293 17822 72 1 12 "Average Difference" HN 135 0.548 -0.068 0.546 17822 73 1 13 "Average Difference" N 135 2.919 -0.783 2.822 17822 74 1 13 "Average Difference" HA 149 0.356 0.099 0.344 17822 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17822 76 1 13 "Average Difference" CA 142 1.335 0.044 1.339 17822 77 1 13 "Average Difference" CB 133 1.286 0.034 1.290 17822 78 1 13 "Average Difference" HN 135 0.522 -0.082 0.518 17822 79 1 14 "Average Difference" N 135 2.965 -0.715 2.888 17822 80 1 14 "Average Difference" HA 149 0.363 0.106 0.348 17822 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17822 82 1 14 "Average Difference" CA 142 1.342 0.037 1.346 17822 83 1 14 "Average Difference" CB 133 1.226 0.044 1.229 17822 84 1 14 "Average Difference" HN 135 0.518 -0.072 0.515 17822 85 1 15 "Average Difference" N 135 2.840 -0.720 2.757 17822 86 1 15 "Average Difference" HA 149 0.359 0.106 0.345 17822 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17822 88 1 15 "Average Difference" CA 142 1.318 0.012 1.323 17822 89 1 15 "Average Difference" CB 133 1.267 0.014 1.272 17822 90 1 15 "Average Difference" HN 135 0.523 -0.072 0.520 17822 91 1 16 "Average Difference" N 135 2.921 -0.759 2.831 17822 92 1 16 "Average Difference" HA 149 0.367 0.114 0.350 17822 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17822 94 1 16 "Average Difference" CA 142 1.350 0.008 1.355 17822 95 1 16 "Average Difference" CB 133 1.200 0.077 1.202 17822 96 1 16 "Average Difference" HN 135 0.504 -0.064 0.502 17822 97 1 17 "Average Difference" N 135 2.995 -0.759 2.908 17822 98 1 17 "Average Difference" HA 149 0.367 0.112 0.350 17822 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17822 100 1 17 "Average Difference" CA 142 1.307 0.024 1.311 17822 101 1 17 "Average Difference" CB 133 1.200 0.068 1.202 17822 102 1 17 "Average Difference" HN 135 0.512 -0.080 0.508 17822 103 1 18 "Average Difference" N 135 2.973 -0.755 2.886 17822 104 1 18 "Average Difference" HA 149 0.373 0.117 0.356 17822 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17822 106 1 18 "Average Difference" CA 142 1.361 0.015 1.366 17822 107 1 18 "Average Difference" CB 133 1.198 0.084 1.200 17822 108 1 18 "Average Difference" HN 135 0.523 -0.086 0.518 17822 109 1 19 "Average Difference" N 135 2.861 -0.695 2.786 17822 110 1 19 "Average Difference" HA 149 0.369 0.110 0.354 17822 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17822 112 1 19 "Average Difference" CA 142 1.357 0.017 1.361 17822 113 1 19 "Average Difference" CB 133 1.249 0.024 1.253 17822 114 1 19 "Average Difference" HN 135 0.534 -0.070 0.532 17822 115 1 20 "Average Difference" N 135 2.862 -0.811 2.755 17822 116 1 20 "Average Difference" HA 149 0.360 0.096 0.348 17822 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17822 118 1 20 "Average Difference" CA 142 1.377 0.053 1.381 17822 119 1 20 "Average Difference" CB 133 1.294 0.033 1.299 17822 120 1 20 "Average Difference" HN 135 0.530 -0.093 0.523 17822 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 17822 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 125.964 125.964 125.517 0.447 17822 2 1 . 1 1 2 2 ALA HA H 2 4.612 4.612 4.579 0.033 17822 3 1 . 1 1 2 2 ALA CA C 2 52.292 52.292 52.027 0.265 17822 4 1 . 1 1 2 2 ALA H H 2 8.065 8.065 8.329 -0.264 17822 5 1 . 1 1 3 3 ASP N N 3 119.188 119.188 120.143 -0.955 17822 6 1 . 1 1 3 3 ASP HA H 3 4.610 4.610 4.693 -0.083 17822 7 1 . 1 1 3 3 ASP CA C 3 53.882 53.882 54.108 -0.226 17822 8 1 . 1 1 3 3 ASP CB C 3 40.810 40.810 41.533 -0.723 17822 9 1 . 1 1 3 3 ASP H H 3 8.203 8.203 8.507 -0.304 17822 10 1 . 1 1 4 4 ASP N N 4 121.607 121.607 120.812 0.795 17822 11 1 . 1 1 4 4 ASP HA H 4 4.372 4.372 4.891 -0.519 17822 12 1 . 1 1 4 4 ASP CA C 4 51.761 51.761 52.240 -0.479 17822 13 1 . 1 1 4 4 ASP CB C 4 40.910 40.910 42.364 -1.454 17822 14 1 . 1 1 4 4 ASP H H 4 7.954 7.954 8.140 -0.186 17822 15 1 . 1 1 5 5 PRO HA H 5 4.252 4.252 4.404 -0.152 17822 16 1 . 1 1 5 5 PRO CA C 5 63.368 63.368 64.635 -1.267 17822 17 1 . 1 1 5 5 PRO CB C 5 31.859 31.859 32.180 -0.321 17822 18 1 . 1 1 6 6 SER N N 6 115.864 115.864 114.595 1.269 17822 19 1 . 1 1 6 6 SER HA H 6 4.252 4.252 4.334 -0.082 17822 20 1 . 1 1 6 6 SER CA C 6 58.870 58.870 60.030 -1.160 17822 21 1 . 1 1 6 6 SER CB C 6 63.368 63.368 62.656 0.712 17822 22 1 . 1 1 6 6 SER H H 6 8.310 8.310 8.275 0.035 17822 23 1 . 1 1 7 7 ALA N N 7 125.955 125.955 124.012 1.943 17822 24 1 . 1 1 7 7 ALA HA H 7 3.999 3.999 4.183 -0.184 17822 25 1 . 1 1 7 7 ALA CA C 7 53.309 53.309 54.106 -0.797 17822 26 1 . 1 1 7 7 ALA CB C 7 18.551 18.551 18.049 0.502 17822 27 1 . 1 1 7 7 ALA H H 7 7.854 7.854 8.060 -0.206 17822 28 1 . 1 1 8 8 ALA N N 8 122.354 122.354 121.530 0.824 17822 29 1 . 1 1 8 8 ALA HA H 8 3.797 3.797 4.010 -0.213 17822 30 1 . 1 1 8 8 ALA CA C 8 53.595 53.595 55.042 -1.446 17822 31 1 . 1 1 8 8 ALA CB C 8 18.452 18.452 18.336 0.116 17822 32 1 . 1 1 8 8 ALA H H 8 7.910 7.910 7.875 0.035 17822 33 1 . 1 1 9 9 ASP N N 9 119.431 119.431 117.769 1.662 17822 34 1 . 1 1 9 9 ASP HA H 9 4.319 4.319 4.392 -0.073 17822 35 1 . 1 1 9 9 ASP CA C 9 55.143 55.143 57.263 -2.120 17822 36 1 . 1 1 9 9 ASP CB C 9 40.623 40.623 40.475 0.148 17822 37 1 . 1 1 9 9 ASP H H 9 7.970 7.970 7.945 0.025 17822 38 1 . 1 1 10 10 ARG N N 10 122.263 122.263 120.684 1.579 17822 39 1 . 1 1 10 10 ARG HA H 10 3.836 3.836 4.286 -0.450 17822 40 1 . 1 1 10 10 ARG CA C 10 57.781 57.781 58.985 -1.204 17822 41 1 . 1 1 10 10 ARG CB C 10 29.881 29.881 30.394 -0.513 17822 42 1 . 1 1 10 10 ARG H H 10 8.036 8.036 7.984 0.052 17822 43 1 . 1 1 11 11 ASN N N 11 118.325 118.325 117.443 0.882 17822 44 1 . 1 1 11 11 ASN HA H 11 4.303 4.303 4.450 -0.147 17822 45 1 . 1 1 11 11 ASN CA C 11 55.143 55.143 55.950 -0.807 17822 46 1 . 1 1 11 11 ASN CB C 11 37.802 37.802 38.394 -0.592 17822 47 1 . 1 1 11 11 ASN H H 11 8.077 8.077 7.729 0.347 17822 48 1 . 1 1 12 12 VAL N N 12 122.103 122.103 121.118 0.985 17822 49 1 . 1 1 12 12 VAL HA H 12 3.615 3.615 2.652 0.963 17822 50 1 . 1 1 12 12 VAL CA C 12 65.621 65.621 66.104 -0.483 17822 51 1 . 1 1 12 12 VAL CB C 12 31.486 31.486 31.258 0.228 17822 52 1 . 1 1 12 12 VAL H H 12 7.741 7.741 7.800 -0.059 17822 53 1 . 1 1 13 13 GLU N N 13 120.785 120.785 119.658 1.127 17822 54 1 . 1 1 13 13 GLU HA H 13 3.234 3.234 3.888 -0.654 17822 55 1 . 1 1 13 13 GLU CA C 13 65.061 65.061 59.346 5.715 17822 56 1 . 1 1 13 13 GLU CB C 13 29.768 29.768 28.908 0.860 17822 57 1 . 1 1 13 13 GLU H H 13 7.751 7.751 7.787 -0.036 17822 58 1 . 1 1 14 14 ILE N N 14 120.199 120.199 120.210 -0.011 17822 59 1 . 1 1 14 14 ILE HA H 14 3.788 3.788 3.461 0.327 17822 60 1 . 1 1 14 14 ILE CA C 14 58.182 58.182 63.555 -5.373 17822 61 1 . 1 1 14 14 ILE CB C 14 34.994 34.994 36.314 -1.320 17822 62 1 . 1 1 14 14 ILE H H 14 7.650 7.650 7.151 0.499 17822 63 1 . 1 1 15 15 TRP N N 15 120.828 120.828 117.526 3.302 17822 64 1 . 1 1 15 15 TRP HA H 15 4.053 4.053 4.610 -0.557 17822 65 1 . 1 1 15 15 TRP CA C 15 60.590 60.590 57.553 3.037 17822 66 1 . 1 1 15 15 TRP CB C 15 28.444 28.444 28.698 -0.254 17822 67 1 . 1 1 15 15 TRP H H 15 7.759 7.759 7.126 0.633 17822 68 1 . 1 1 16 16 LYS N N 16 119.063 119.063 122.237 -3.174 17822 69 1 . 1 1 16 16 LYS HA H 16 3.490 3.490 4.171 -0.681 17822 70 1 . 1 1 16 16 LYS CA C 16 59.969 59.969 58.111 1.858 17822 71 1 . 1 1 16 16 LYS CB C 16 32.178 32.178 31.987 0.191 17822 72 1 . 1 1 16 16 LYS H H 16 7.963 7.963 7.733 0.230 17822 73 1 . 1 1 17 17 ILE N N 17 120.609 120.609 119.514 1.095 17822 74 1 . 1 1 17 17 ILE HA H 17 3.611 3.611 3.847 -0.236 17822 75 1 . 1 1 17 17 ILE CA C 17 63.456 63.456 64.393 -0.937 17822 76 1 . 1 1 17 17 ILE CB C 17 36.298 36.298 37.529 -1.231 17822 77 1 . 1 1 17 17 ILE H H 17 7.630 7.630 8.469 -0.839 17822 78 1 . 1 1 18 18 LYS N N 18 121.687 121.687 119.038 2.649 17822 79 1 . 1 1 18 18 LYS HA H 18 3.583 3.583 4.024 -0.441 17822 80 1 . 1 1 18 18 LYS CA C 18 60.930 60.930 59.503 1.427 17822 81 1 . 1 1 18 18 LYS CB C 18 32.082 32.082 31.558 0.524 17822 82 1 . 1 1 18 18 LYS H H 18 8.297 8.297 7.778 0.519 17822 83 1 . 1 1 19 19 LYS N N 19 119.253 119.253 118.645 0.608 17822 84 1 . 1 1 19 19 LYS HA H 19 3.617 3.617 4.124 -0.507 17822 85 1 . 1 1 19 19 LYS CA C 19 58.985 58.985 58.571 0.414 17822 86 1 . 1 1 19 19 LYS CB C 19 31.859 31.859 32.266 -0.407 17822 87 1 . 1 1 19 19 LYS H H 19 7.685 7.685 7.668 0.017 17822 88 1 . 1 1 20 20 LEU N N 20 123.001 123.001 121.976 1.025 17822 89 1 . 1 1 20 20 LEU HA H 20 3.825 3.825 4.016 -0.191 17822 90 1 . 1 1 20 20 LEU CA C 20 57.781 57.781 57.734 0.047 17822 91 1 . 1 1 20 20 LEU CB C 20 41.411 41.411 41.884 -0.474 17822 92 1 . 1 1 20 20 LEU H H 20 7.509 7.509 7.328 0.181 17822 93 1 . 1 1 21 21 ILE N N 21 119.392 119.392 119.024 0.368 17822 94 1 . 1 1 21 21 ILE HA H 21 3.070 3.070 3.723 -0.654 17822 95 1 . 1 1 21 21 ILE CA C 21 66.495 66.495 63.365 3.130 17822 96 1 . 1 1 21 21 ILE CB C 21 38.203 38.203 37.059 1.144 17822 97 1 . 1 1 21 21 ILE H H 21 8.474 8.474 8.123 0.351 17822 98 1 . 1 1 22 22 LYS N N 22 117.524 117.524 118.759 -1.235 17822 99 1 . 1 1 22 22 LYS HA H 22 3.806 3.806 4.082 -0.276 17822 100 1 . 1 1 22 22 LYS CA C 22 58.813 58.813 58.949 -0.136 17822 101 1 . 1 1 22 22 LYS CB C 22 31.887 31.887 32.190 -0.303 17822 102 1 . 1 1 22 22 LYS H H 22 7.300 7.300 7.592 -0.292 17822 103 1 . 1 1 23 23 SER N N 23 114.880 114.880 114.630 0.249 17822 104 1 . 1 1 23 23 SER HA H 23 4.008 4.008 4.308 -0.300 17822 105 1 . 1 1 23 23 SER CA C 23 61.106 61.106 60.716 0.390 17822 106 1 . 1 1 23 23 SER CB C 23 62.587 62.587 63.707 -1.120 17822 107 1 . 1 1 23 23 SER H H 23 7.653 7.653 7.503 0.150 17822 108 1 . 1 1 24 24 LEU N N 24 121.607 121.607 122.499 -0.892 17822 109 1 . 1 1 24 24 LEU HA H 24 3.872 3.872 3.436 0.436 17822 110 1 . 1 1 24 24 LEU CA C 24 56.863 56.863 57.751 -0.888 17822 111 1 . 1 1 24 24 LEU CB C 24 41.289 41.289 41.274 0.015 17822 112 1 . 1 1 24 24 LEU H H 24 8.158 8.158 8.130 0.028 17822 113 1 . 1 1 25 25 GLU N N 25 119.392 119.392 117.656 1.736 17822 114 1 . 1 1 25 25 GLU HA H 25 3.881 3.881 4.166 -0.285 17822 115 1 . 1 1 25 25 GLU CA C 25 58.583 58.583 58.673 -0.090 17822 116 1 . 1 1 25 25 GLU CB C 25 29.180 29.180 29.386 -0.206 17822 117 1 . 1 1 25 25 GLU H H 25 8.344 8.344 7.788 0.556 17822 118 1 . 1 1 26 26 ALA N N 26 119.228 119.228 119.918 -0.690 17822 119 1 . 1 1 26 26 ALA HA H 26 4.117 4.117 4.383 -0.266 17822 120 1 . 1 1 26 26 ALA CA C 26 51.990 51.990 51.692 0.298 17822 121 1 . 1 1 26 26 ALA CB C 26 18.953 18.953 19.425 -0.472 17822 122 1 . 1 1 26 26 ALA H H 26 7.154 7.154 7.422 -0.268 17822 123 1 . 1 1 27 27 ALA N N 27 121.417 121.417 123.361 -1.944 17822 124 1 . 1 1 27 27 ALA HA H 27 4.070 4.070 4.314 -0.244 17822 125 1 . 1 1 27 27 ALA CA C 27 52.468 52.468 52.902 -0.434 17822 126 1 . 1 1 27 27 ALA CB C 27 19.303 19.303 19.478 -0.175 17822 127 1 . 1 1 27 27 ALA H H 27 6.833 6.833 7.552 -0.719 17822 128 1 . 1 1 28 28 ARG N N 28 123.986 123.986 122.492 1.494 17822 129 1 . 1 1 28 28 ARG HA H 28 4.496 4.496 4.528 -0.032 17822 130 1 . 1 1 28 28 ARG CA C 28 54.169 54.169 55.167 -0.998 17822 131 1 . 1 1 28 28 ARG CB C 28 32.961 32.961 32.708 0.253 17822 132 1 . 1 1 28 28 ARG H H 28 8.679 8.679 8.203 0.476 17822 133 1 . 1 1 29 29 GLY N N 29 109.466 109.466 108.041 1.425 17822 134 1 . 1 1 29 29 GLY CA C 29 44.389 44.389 44.797 -0.408 17822 135 1 . 1 1 29 29 GLY H H 29 8.091 8.091 8.234 -0.143 17822 136 1 . 1 1 30 30 ASN N N 30 120.048 120.048 116.676 3.372 17822 137 1 . 1 1 30 30 ASN HA H 30 4.655 4.655 4.609 0.046 17822 138 1 . 1 1 30 30 ASN CA C 30 51.629 51.629 53.068 -1.439 17822 139 1 . 1 1 30 30 ASN CB C 30 37.802 37.802 39.112 -1.310 17822 140 1 . 1 1 30 30 ASN H H 30 8.419 8.419 8.540 -0.121 17822 141 1 . 1 1 31 31 GLY N N 31 110.450 110.450 105.915 4.535 17822 142 1 . 1 1 31 31 GLY CA C 31 44.686 44.686 45.532 -0.846 17822 143 1 . 1 1 31 31 GLY H H 31 8.071 8.071 8.601 -0.530 17822 144 1 . 1 1 32 32 THR N N 32 112.929 112.929 116.494 -3.565 17822 145 1 . 1 1 32 32 THR HA H 32 4.993 4.993 4.586 0.407 17822 146 1 . 1 1 32 32 THR CA C 32 59.598 59.598 60.248 -0.650 17822 147 1 . 1 1 32 32 THR H H 32 7.747 7.747 7.721 0.026 17822 148 1 . 1 1 33 33 SER N N 33 115.208 115.208 115.825 -0.617 17822 149 1 . 1 1 33 33 SER HA H 33 4.335 4.335 4.727 -0.392 17822 150 1 . 1 1 33 33 SER CA C 33 58.067 58.067 57.380 0.687 17822 151 1 . 1 1 33 33 SER CB C 33 64.572 64.572 64.676 -0.104 17822 152 1 . 1 1 33 33 SER H H 33 7.701 7.701 8.440 -0.739 17822 153 1 . 1 1 34 34 MET N N 34 120.869 120.869 122.037 -1.168 17822 154 1 . 1 1 34 34 MET HA H 34 4.666 4.666 4.804 -0.138 17822 155 1 . 1 1 34 34 MET CA C 34 54.799 54.799 53.774 1.025 17822 156 1 . 1 1 34 34 MET CB C 34 34.700 34.700 34.032 0.668 17822 157 1 . 1 1 34 34 MET H H 34 8.679 8.679 8.318 0.361 17822 158 1 . 1 1 35 35 ILE N N 35 126.806 126.806 120.421 6.385 17822 159 1 . 1 1 35 35 ILE HA H 35 5.170 5.170 3.210 1.960 17822 160 1 . 1 1 35 35 ILE CA C 35 59.902 59.902 59.996 -0.094 17822 161 1 . 1 1 35 35 ILE CB C 35 39.673 39.673 41.060 -1.387 17822 162 1 . 1 1 35 35 ILE H H 35 9.562 9.562 8.175 1.387 17822 163 1 . 1 1 36 36 SER N N 36 122.217 122.217 122.445 -0.228 17822 164 1 . 1 1 36 36 SER HA H 36 4.968 4.968 5.097 -0.129 17822 165 1 . 1 1 36 36 SER CA C 36 56.602 56.602 57.146 -0.544 17822 166 1 . 1 1 36 36 SER CB C 36 64.572 64.572 64.195 0.377 17822 167 1 . 1 1 36 36 SER H H 36 8.422 8.422 8.088 0.334 17822 168 1 . 1 1 37 37 LEU N N 37 128.938 128.938 124.574 4.364 17822 169 1 . 1 1 37 37 LEU HA H 37 4.981 4.981 4.881 0.100 17822 170 1 . 1 1 37 37 LEU CA C 37 53.481 53.481 53.083 0.398 17822 171 1 . 1 1 37 37 LEU CB C 37 45.376 45.376 45.637 -0.261 17822 172 1 . 1 1 37 37 LEU H H 37 8.916 8.916 7.653 1.263 17822 173 1 . 1 1 38 38 ILE N N 38 128.296 128.296 115.252 13.044 17822 174 1 . 1 1 38 38 ILE HA H 38 4.972 4.972 4.954 0.018 17822 175 1 . 1 1 38 38 ILE CA C 38 59.845 59.845 59.635 0.211 17822 176 1 . 1 1 38 38 ILE CB C 38 39.005 39.005 41.081 -2.076 17822 177 1 . 1 1 38 38 ILE H H 38 8.740 8.740 8.420 0.320 17822 178 1 . 1 1 39 39 ILE N N 39 125.429 125.429 123.549 1.880 17822 179 1 . 1 1 39 39 ILE HA H 39 4.399 4.399 4.619 -0.220 17822 180 1 . 1 1 39 39 ILE CA C 39 57.723 57.723 58.557 -0.834 17822 181 1 . 1 1 39 39 ILE CB C 39 40.661 40.661 38.279 2.382 17822 182 1 . 1 1 39 39 ILE H H 39 8.960 8.960 8.191 0.769 17822 183 1 . 1 1 40 40 PRO HA H 40 4.407 4.407 4.790 -0.383 17822 184 1 . 1 1 40 40 PRO CA C 40 67.182 67.182 61.553 5.628 17822 185 1 . 1 1 40 40 PRO CB C 40 31.372 31.372 31.111 0.260 17822 186 1 . 1 1 41 41 PRO HA H 41 3.821 3.821 4.439 -0.618 17822 187 1 . 1 1 41 41 PRO CA C 41 67.815 67.815 64.444 3.371 17822 188 1 . 1 1 41 41 PRO CB C 41 32.177 32.177 31.852 0.325 17822 189 1 . 1 1 42 42 LYS N N 42 113.683 113.683 117.215 -3.532 17822 190 1 . 1 1 42 42 LYS HA H 42 3.956 3.956 4.410 -0.454 17822 191 1 . 1 1 42 42 LYS CA C 42 56.806 56.806 56.094 0.712 17822 192 1 . 1 1 42 42 LYS CB C 42 30.182 30.182 32.117 -1.935 17822 193 1 . 1 1 42 42 LYS H H 42 8.004 8.004 8.326 -0.322 17822 194 1 . 1 1 43 43 ASP N N 43 121.628 121.628 118.190 3.438 17822 195 1 . 1 1 43 43 ASP HA H 43 4.435 4.435 4.800 -0.365 17822 196 1 . 1 1 43 43 ASP CA C 43 52.506 52.506 53.037 -0.531 17822 197 1 . 1 1 43 43 ASP CB C 43 42.215 42.215 43.682 -1.467 17822 198 1 . 1 1 43 43 ASP H H 43 7.290 7.290 7.467 -0.177 17822 199 1 . 1 1 44 44 GLN N N 44 117.587 117.587 118.133 -0.546 17822 200 1 . 1 1 44 44 GLN HA H 44 4.537 4.537 4.599 -0.062 17822 201 1 . 1 1 44 44 GLN CA C 44 53.939 53.939 54.500 -0.561 17822 202 1 . 1 1 44 44 GLN CB C 44 31.544 31.544 31.495 0.049 17822 203 1 . 1 1 44 44 GLN H H 44 9.610 9.610 8.395 1.215 17822 204 1 . 1 1 45 45 ILE N N 45 126.939 126.939 123.195 3.744 17822 205 1 . 1 1 45 45 ILE HA H 45 3.301 3.301 3.694 -0.394 17822 206 1 . 1 1 45 45 ILE CA C 45 63.284 63.284 63.942 -0.659 17822 207 1 . 1 1 45 45 ILE CB C 45 35.633 35.633 37.415 -1.782 17822 208 1 . 1 1 45 45 ILE H H 45 8.806 8.806 8.960 -0.154 17822 209 1 . 1 1 46 46 SER N N 46 113.239 113.239 114.829 -1.590 17822 210 1 . 1 1 46 46 SER HA H 46 3.931 3.931 4.205 -0.274 17822 211 1 . 1 1 46 46 SER CA C 46 60.762 60.762 61.427 -0.665 17822 212 1 . 1 1 46 46 SER CB C 46 61.464 61.464 62.811 -1.347 17822 213 1 . 1 1 46 46 SER H H 46 8.476 8.476 8.361 0.115 17822 214 1 . 1 1 47 47 ARG N N 47 124.530 124.530 122.328 2.202 17822 215 1 . 1 1 47 47 ARG HA H 47 3.791 3.791 4.031 -0.240 17822 216 1 . 1 1 47 47 ARG CA C 47 58.927 58.927 58.909 0.018 17822 217 1 . 1 1 47 47 ARG CB C 47 30.583 30.583 29.591 0.992 17822 218 1 . 1 1 47 47 ARG H H 47 6.731 6.731 7.644 -0.913 17822 219 1 . 1 1 48 48 VAL N N 48 121.935 121.935 119.012 2.923 17822 220 1 . 1 1 48 48 VAL HA H 48 3.147 3.147 3.712 -0.565 17822 221 1 . 1 1 48 48 VAL CA C 48 66.208 66.208 66.559 -0.351 17822 222 1 . 1 1 48 48 VAL CB C 48 31.468 31.468 31.424 0.044 17822 223 1 . 1 1 48 48 VAL H H 48 7.257 7.257 7.605 -0.348 17822 224 1 . 1 1 49 49 ALA N N 49 122.345 122.345 120.068 2.277 17822 225 1 . 1 1 49 49 ALA HA H 49 3.882 3.882 4.036 -0.154 17822 226 1 . 1 1 49 49 ALA CA C 49 55.143 55.143 54.927 0.217 17822 227 1 . 1 1 49 49 ALA CB C 49 17.650 17.650 18.253 -0.603 17822 228 1 . 1 1 49 49 ALA H H 49 8.864 8.864 7.734 1.130 17822 229 1 . 1 1 50 50 LYS N N 50 120.376 120.376 119.674 0.702 17822 230 1 . 1 1 50 50 LYS HA H 50 3.903 3.903 4.151 -0.248 17822 231 1 . 1 1 50 50 LYS CA C 50 58.927 58.927 58.701 0.225 17822 232 1 . 1 1 50 50 LYS CB C 50 31.586 31.586 32.368 -0.782 17822 233 1 . 1 1 50 50 LYS H H 50 7.380 7.380 7.871 -0.491 17822 234 1 . 1 1 51 51 MET N N 51 121.641 121.641 118.086 3.555 17822 235 1 . 1 1 51 51 MET HA H 51 3.935 3.935 4.166 -0.231 17822 236 1 . 1 1 51 51 MET CA C 51 58.927 58.927 58.622 0.305 17822 237 1 . 1 1 51 51 MET CB C 51 30.734 30.734 32.091 -1.357 17822 238 1 . 1 1 51 51 MET H H 51 7.508 7.508 8.013 -0.505 17822 239 1 . 1 1 52 52 LEU N N 52 120.125 120.125 120.096 0.029 17822 240 1 . 1 1 52 52 LEU HA H 52 3.657 3.657 4.239 -0.582 17822 241 1 . 1 1 52 52 LEU CA C 52 57.437 57.437 56.942 0.495 17822 242 1 . 1 1 52 52 LEU CB C 52 41.554 41.554 41.798 -0.244 17822 243 1 . 1 1 52 52 LEU H H 52 8.203 8.203 7.792 0.411 17822 244 1 . 1 1 53 53 ALA N N 53 123.639 123.639 122.155 1.484 17822 245 1 . 1 1 53 53 ALA HA H 53 3.945 3.945 3.867 0.078 17822 246 1 . 1 1 53 53 ALA CA C 53 54.799 54.799 55.400 -0.601 17822 247 1 . 1 1 53 53 ALA CB C 53 17.249 17.249 17.782 -0.533 17822 248 1 . 1 1 53 53 ALA H H 53 7.775 7.775 7.575 0.200 17822 249 1 . 1 1 54 54 ASP N N 54 123.165 123.165 118.118 5.047 17822 250 1 . 1 1 54 54 ASP HA H 54 4.329 4.329 4.408 -0.079 17822 251 1 . 1 1 54 54 ASP CA C 54 57.207 57.207 57.184 0.023 17822 252 1 . 1 1 54 54 ASP CB C 54 39.105 39.105 40.859 -1.754 17822 253 1 . 1 1 54 54 ASP H H 54 8.156 8.156 7.700 0.456 17822 254 1 . 1 1 55 55 GLU N N 55 122.017 122.017 119.335 2.682 17822 255 1 . 1 1 55 55 GLU HA H 55 3.876 3.876 4.044 -0.168 17822 256 1 . 1 1 55 55 GLU CA C 55 58.583 58.583 58.971 -0.388 17822 257 1 . 1 1 55 55 GLU CB C 55 29.019 29.019 29.402 -0.383 17822 258 1 . 1 1 55 55 GLU H H 55 8.221 8.221 7.624 0.597 17822 259 1 . 1 1 56 56 PHE N N 56 123.334 123.334 121.449 1.885 17822 260 1 . 1 1 56 56 PHE HA H 56 4.681 4.681 4.251 0.430 17822 261 1 . 1 1 56 56 PHE CA C 56 61.515 61.515 61.310 0.205 17822 262 1 . 1 1 56 56 PHE CB C 56 39.212 39.212 38.865 0.347 17822 263 1 . 1 1 56 56 PHE H H 56 8.711 8.711 8.168 0.542 17822 264 1 . 1 1 57 57 GLY N N 57 107.156 107.156 105.831 1.325 17822 265 1 . 1 1 57 57 GLY CA C 57 47.483 47.483 47.477 0.006 17822 266 1 . 1 1 57 57 GLY H H 57 7.985 7.985 8.052 -0.067 17822 267 1 . 1 1 58 58 THR N N 58 118.940 118.940 117.000 1.940 17822 268 1 . 1 1 58 58 THR HA H 58 4.062 4.062 4.205 -0.143 17822 269 1 . 1 1 58 58 THR CA C 58 65.406 65.406 65.384 0.022 17822 270 1 . 1 1 58 58 THR CB C 58 68.408 68.408 68.803 -0.395 17822 271 1 . 1 1 58 58 THR H H 58 7.992 7.992 7.706 0.286 17822 272 1 . 1 1 59 59 ALA N N 59 126.365 126.365 124.634 1.731 17822 273 1 . 1 1 59 59 ALA HA H 59 3.928 3.928 4.106 -0.178 17822 274 1 . 1 1 59 59 ALA CA C 59 53.939 53.939 54.657 -0.718 17822 275 1 . 1 1 59 59 ALA CB C 59 18.151 18.151 17.815 0.336 17822 276 1 . 1 1 59 59 ALA H H 59 8.351 8.351 7.810 0.541 17822 277 1 . 1 1 60 60 SER N N 60 112.435 112.435 112.364 0.071 17822 278 1 . 1 1 60 60 SER HA H 60 4.632 4.632 4.138 0.494 17822 279 1 . 1 1 60 60 SER CA C 60 61.220 61.220 59.846 1.374 17822 280 1 . 1 1 60 60 SER CB C 60 62.686 62.686 62.854 -0.168 17822 281 1 . 1 1 60 60 SER H H 60 7.459 7.459 7.729 -0.270 17822 282 1 . 1 1 61 61 ASN N N 61 116.971 116.971 118.658 -1.687 17822 283 1 . 1 1 61 61 ASN HA H 61 4.513 4.513 4.649 -0.136 17822 284 1 . 1 1 61 61 ASN CA C 61 53.022 53.022 53.715 -0.693 17822 285 1 . 1 1 61 61 ASN CB C 61 39.005 39.005 38.981 0.025 17822 286 1 . 1 1 61 61 ASN H H 61 7.372 7.372 7.598 -0.226 17822 287 1 . 1 1 62 62 ILE N N 62 123.980 123.980 121.996 1.984 17822 288 1 . 1 1 62 62 ILE HA H 62 3.636 3.636 3.852 -0.216 17822 289 1 . 1 1 62 62 ILE CA C 62 63.428 63.428 62.364 1.064 17822 290 1 . 1 1 62 62 ILE CB C 62 38.430 38.430 38.973 -0.543 17822 291 1 . 1 1 62 62 ILE H H 62 7.461 7.461 7.384 0.077 17822 292 1 . 1 1 63 63 LYS N N 63 128.982 128.982 126.016 2.966 17822 293 1 . 1 1 63 63 LYS HA H 63 3.797 3.797 4.103 -0.306 17822 294 1 . 1 1 63 63 LYS CA C 63 58.698 58.698 58.081 0.617 17822 295 1 . 1 1 63 63 LYS CB C 63 32.706 32.706 32.526 0.180 17822 296 1 . 1 1 63 63 LYS H H 63 8.417 8.417 8.381 0.036 17822 297 1 . 1 1 64 64 SER N N 64 114.306 114.306 118.104 -3.798 17822 298 1 . 1 1 64 64 SER HA H 64 4.616 4.616 4.534 0.082 17822 299 1 . 1 1 64 64 SER CA C 64 56.749 56.749 57.552 -0.803 17822 300 1 . 1 1 64 64 SER CB C 64 62.962 62.962 63.197 -0.235 17822 301 1 . 1 1 64 64 SER H H 64 7.599 7.599 8.057 -0.458 17822 302 1 . 1 1 65 65 ARG N N 65 132.125 132.125 128.185 3.940 17822 303 1 . 1 1 65 65 ARG HA H 65 4.306 4.306 3.898 0.408 17822 304 1 . 1 1 65 65 ARG CA C 65 59.902 59.902 59.814 0.088 17822 305 1 . 1 1 65 65 ARG CB C 65 33.098 33.098 29.874 3.224 17822 306 1 . 1 1 65 65 ARG H H 65 8.689 8.689 8.765 -0.076 17822 307 1 . 1 1 66 66 VAL N N 66 116.947 116.947 118.965 -2.018 17822 308 1 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.571 -0.020 17822 309 1 . 1 1 66 66 VAL CA C 66 65.463 65.463 66.577 -1.114 17822 310 1 . 1 1 66 66 VAL CB C 66 31.586 31.586 31.121 0.465 17822 311 1 . 1 1 66 66 VAL H H 66 7.946 7.946 8.252 -0.306 17822 312 1 . 1 1 67 67 ASN N N 67 119.499 119.499 117.118 2.381 17822 313 1 . 1 1 67 67 ASN HA H 67 4.412 4.412 4.358 0.054 17822 314 1 . 1 1 67 67 ASN CA C 67 55.373 55.373 56.142 -0.769 17822 315 1 . 1 1 67 67 ASN CB C 67 38.036 38.036 38.203 -0.167 17822 316 1 . 1 1 67 67 ASN H H 67 7.386 7.386 7.745 -0.359 17822 317 1 . 1 1 68 68 ARG N N 68 122.132 122.132 121.726 0.406 17822 318 1 . 1 1 68 68 ARG HA H 68 3.594 3.594 3.931 -0.337 17822 319 1 . 1 1 68 68 ARG CA C 68 59.798 59.798 59.429 0.369 17822 320 1 . 1 1 68 68 ARG CB C 68 30.559 30.559 30.029 0.531 17822 321 1 . 1 1 68 68 ARG H H 68 8.566 8.566 7.693 0.873 17822 322 1 . 1 1 69 69 LEU N N 69 116.564 116.564 118.558 -1.994 17822 323 1 . 1 1 69 69 LEU HA H 69 3.783 3.783 4.181 -0.398 17822 324 1 . 1 1 69 69 LEU CA C 69 57.895 57.895 57.420 0.475 17822 325 1 . 1 1 69 69 LEU CB C 69 40.609 40.609 40.798 -0.189 17822 326 1 . 1 1 69 69 LEU H H 69 8.167 8.167 8.624 -0.457 17822 327 1 . 1 1 70 70 SER N N 70 116.805 116.805 113.863 2.942 17822 328 1 . 1 1 70 70 SER HA H 70 4.132 4.132 4.265 -0.133 17822 329 1 . 1 1 70 70 SER CA C 70 61.450 61.450 61.261 0.189 17822 330 1 . 1 1 70 70 SER CB C 70 62.635 62.635 63.056 -0.421 17822 331 1 . 1 1 70 70 SER H H 70 7.589 7.589 7.634 -0.045 17822 332 1 . 1 1 71 71 VAL N N 71 124.991 124.991 122.605 2.386 17822 333 1 . 1 1 71 71 VAL HA H 71 3.483 3.483 3.944 -0.461 17822 334 1 . 1 1 71 71 VAL CA C 71 66.839 66.839 64.956 1.883 17822 335 1 . 1 1 71 71 VAL CB C 71 31.649 31.649 31.776 -0.127 17822 336 1 . 1 1 71 71 VAL H H 71 7.934 7.934 8.164 -0.230 17822 337 1 . 1 1 72 72 LEU N N 72 118.680 118.680 120.107 -1.427 17822 338 1 . 1 1 72 72 LEU HA H 72 3.721 3.721 4.076 -0.355 17822 339 1 . 1 1 72 72 LEU CA C 72 58.239 58.239 57.887 0.352 17822 340 1 . 1 1 72 72 LEU CB C 72 40.298 40.298 40.956 -0.658 17822 341 1 . 1 1 72 72 LEU H H 72 8.354 8.354 8.656 -0.302 17822 342 1 . 1 1 73 73 GLY N N 73 106.674 106.674 106.033 0.641 17822 343 1 . 1 1 73 73 GLY CA C 73 46.945 46.945 47.096 -0.151 17822 344 1 . 1 1 73 73 GLY H H 73 8.052 8.052 8.039 0.013 17822 345 1 . 1 1 74 74 ALA N N 74 127.313 127.313 124.700 2.612 17822 346 1 . 1 1 74 74 ALA HA H 74 4.153 4.153 4.132 0.021 17822 347 1 . 1 1 74 74 ALA CA C 74 55.373 55.373 54.332 1.041 17822 348 1 . 1 1 74 74 ALA CB C 74 17.806 17.806 18.640 -0.834 17822 349 1 . 1 1 74 74 ALA H H 74 7.784 7.784 7.425 0.359 17822 350 1 . 1 1 75 75 ILE N N 75 119.310 119.310 119.046 0.264 17822 351 1 . 1 1 75 75 ILE HA H 75 3.362 3.362 3.649 -0.287 17822 352 1 . 1 1 75 75 ILE CA C 75 66.610 66.610 65.718 0.892 17822 353 1 . 1 1 75 75 ILE CB C 75 38.424 38.424 38.108 0.316 17822 354 1 . 1 1 75 75 ILE H H 75 8.638 8.638 8.152 0.486 17822 355 1 . 1 1 76 76 THR N N 76 116.205 116.205 112.716 3.489 17822 356 1 . 1 1 76 76 THR HA H 76 4.227 4.227 3.933 0.294 17822 357 1 . 1 1 76 76 THR CA C 76 66.782 66.782 66.718 0.064 17822 358 1 . 1 1 76 76 THR CB C 76 68.478 68.478 68.350 0.128 17822 359 1 . 1 1 76 76 THR H H 76 8.317 8.317 8.166 0.151 17822 360 1 . 1 1 77 77 SER N N 77 118.405 118.405 117.696 0.709 17822 361 1 . 1 1 77 77 SER HA H 77 4.173 4.173 4.244 -0.071 17822 362 1 . 1 1 77 77 SER CA C 77 62.482 62.482 61.384 1.098 17822 363 1 . 1 1 77 77 SER CB C 77 63.484 63.484 63.015 0.469 17822 364 1 . 1 1 77 77 SER H H 77 7.843 7.843 7.647 0.196 17822 365 1 . 1 1 78 78 VAL N N 78 124.171 124.171 122.118 2.053 17822 366 1 . 1 1 78 78 VAL HA H 78 3.573 3.573 3.765 -0.192 17822 367 1 . 1 1 78 78 VAL CA C 78 66.724 66.724 65.913 0.811 17822 368 1 . 1 1 78 78 VAL CB C 78 30.984 30.984 31.637 -0.653 17822 369 1 . 1 1 78 78 VAL H H 78 8.153 8.153 8.002 0.151 17822 370 1 . 1 1 79 79 GLN N N 79 120.008 120.008 118.849 1.159 17822 371 1 . 1 1 79 79 GLN HA H 79 3.929 3.929 3.867 0.062 17822 372 1 . 1 1 79 79 GLN CA C 79 59.386 59.386 59.695 -0.309 17822 373 1 . 1 1 79 79 GLN CB C 79 28.779 28.779 28.402 0.377 17822 374 1 . 1 1 79 79 GLN H H 79 8.688 8.688 8.621 0.067 17822 375 1 . 1 1 80 80 GLN N N 80 116.870 116.870 117.426 -0.556 17822 376 1 . 1 1 80 80 GLN HA H 80 3.775 3.775 4.067 -0.292 17822 377 1 . 1 1 80 80 GLN CA C 80 58.526 58.526 58.824 -0.298 17822 378 1 . 1 1 80 80 GLN CB C 80 27.977 27.977 28.482 -0.505 17822 379 1 . 1 1 80 80 GLN H H 80 7.850 7.850 7.779 0.071 17822 380 1 . 1 1 81 81 ARG N N 81 119.074 119.074 119.505 -0.431 17822 381 1 . 1 1 81 81 ARG HA H 81 3.992 3.992 4.145 -0.153 17822 382 1 . 1 1 81 81 ARG CA C 81 56.634 56.634 58.593 -1.959 17822 383 1 . 1 1 81 81 ARG CB C 81 28.322 28.322 30.261 -1.939 17822 384 1 . 1 1 81 81 ARG H H 81 7.520 7.520 7.673 -0.153 17822 385 1 . 1 1 82 82 LEU N N 82 117.238 117.238 118.950 -1.712 17822 386 1 . 1 1 82 82 LEU HA H 82 3.891 3.891 4.252 -0.361 17822 387 1 . 1 1 82 82 LEU CA C 82 57.437 57.437 58.056 -0.619 17822 388 1 . 1 1 82 82 LEU CB C 82 40.810 40.810 41.177 -0.367 17822 389 1 . 1 1 82 82 LEU H H 82 8.189 8.189 8.181 0.008 17822 390 1 . 1 1 83 83 LYS N N 83 114.899 114.899 118.871 -3.972 17822 391 1 . 1 1 83 83 LYS HA H 83 3.945 3.945 4.082 -0.137 17822 392 1 . 1 1 83 83 LYS CA C 83 57.666 57.666 58.935 -1.269 17822 393 1 . 1 1 83 83 LYS CB C 83 31.987 31.987 32.057 -0.070 17822 394 1 . 1 1 83 83 LYS H H 83 7.064 7.064 7.615 -0.551 17822 395 1 . 1 1 84 84 LEU N N 84 117.840 117.840 118.594 -0.754 17822 396 1 . 1 1 84 84 LEU HA H 84 3.873 3.873 4.050 -0.177 17822 397 1 . 1 1 84 84 LEU CA C 84 55.315 55.315 56.501 -1.186 17822 398 1 . 1 1 84 84 LEU CB C 84 40.929 40.929 41.659 -0.730 17822 399 1 . 1 1 84 84 LEU H H 84 7.271 7.271 7.777 -0.506 17822 400 1 . 1 1 85 85 TYR N N 85 119.720 119.720 116.672 3.048 17822 401 1 . 1 1 85 85 TYR HA H 85 4.255 4.255 4.457 -0.202 17822 402 1 . 1 1 85 85 TYR CA C 85 58.067 58.067 57.925 0.142 17822 403 1 . 1 1 85 85 TYR CB C 85 39.068 39.068 37.599 1.469 17822 404 1 . 1 1 85 85 TYR H H 85 7.633 7.633 7.362 0.272 17822 405 1 . 1 1 86 86 ASN N N 86 119.638 119.638 116.797 2.841 17822 406 1 . 1 1 86 86 ASN HA H 86 4.474 4.474 4.393 0.080 17822 407 1 . 1 1 86 86 ASN CA C 86 53.882 53.882 54.943 -1.061 17822 408 1 . 1 1 86 86 ASN CB C 86 38.742 38.742 38.518 0.224 17822 409 1 . 1 1 86 86 ASN H H 86 8.622 8.622 8.280 0.342 17822 410 1 . 1 1 87 87 LYS N N 87 116.321 116.321 118.165 -1.845 17822 411 1 . 1 1 87 87 LYS HA H 87 4.498 4.498 4.450 0.048 17822 412 1 . 1 1 87 87 LYS CA C 87 54.169 54.169 55.268 -1.099 17822 413 1 . 1 1 87 87 LYS CB C 87 34.673 34.673 34.953 -0.280 17822 414 1 . 1 1 87 87 LYS H H 87 7.631 7.631 7.824 -0.193 17822 415 1 . 1 1 88 88 VAL N N 88 125.141 125.141 118.910 6.231 17822 416 1 . 1 1 88 88 VAL HA H 88 3.622 3.622 4.494 -0.872 17822 417 1 . 1 1 88 88 VAL CA C 88 61.966 61.966 58.175 3.791 17822 418 1 . 1 1 88 88 VAL CB C 88 32.288 32.288 31.410 0.878 17822 419 1 . 1 1 88 88 VAL H H 88 8.357 8.357 8.327 0.030 17822 420 1 . 1 1 89 89 PRO HA H 89 4.253 4.253 4.711 -0.458 17822 421 1 . 1 1 89 89 PRO CA C 89 63.340 63.340 61.371 1.969 17822 422 1 . 1 1 89 89 PRO CB C 89 31.554 31.554 30.976 0.578 17822 423 1 . 1 1 90 90 PRO HA H 90 4.500 4.500 4.240 0.260 17822 424 1 . 1 1 90 90 PRO CA C 90 65.979 65.979 65.222 0.757 17822 425 1 . 1 1 90 90 PRO CB C 90 32.188 32.188 32.046 0.142 17822 426 1 . 1 1 91 91 ASN N N 91 112.735 112.735 116.010 -3.275 17822 427 1 . 1 1 91 91 ASN HA H 91 4.655 4.655 4.497 0.158 17822 428 1 . 1 1 91 91 ASN CA C 91 51.875 51.875 53.528 -1.653 17822 429 1 . 1 1 91 91 ASN CB C 91 37.443 37.443 38.204 -0.761 17822 430 1 . 1 1 91 91 ASN H H 91 9.163 9.163 8.428 0.735 17822 431 1 . 1 1 92 92 GLY N N 92 108.893 108.893 106.262 2.631 17822 432 1 . 1 1 92 92 GLY CA C 92 43.441 43.441 44.737 -1.296 17822 433 1 . 1 1 92 92 GLY H H 92 7.898 7.898 7.222 0.676 17822 434 1 . 1 1 93 93 LEU N N 93 117.751 117.751 126.109 -8.358 17822 435 1 . 1 1 93 93 LEU HA H 93 4.324 4.324 4.222 0.102 17822 436 1 . 1 1 93 93 LEU CA C 93 53.767 53.767 54.269 -0.502 17822 437 1 . 1 1 93 93 LEU CB C 93 47.527 47.527 42.172 5.355 17822 438 1 . 1 1 93 93 LEU H H 93 8.508 8.508 7.622 0.886 17822 439 1 . 1 1 94 94 VAL N N 94 126.296 126.296 128.497 -2.201 17822 440 1 . 1 1 94 94 VAL HA H 94 4.350 4.350 4.688 -0.338 17822 441 1 . 1 1 94 94 VAL CA C 94 60.475 60.475 61.256 -0.781 17822 442 1 . 1 1 94 94 VAL CB C 94 32.168 32.168 32.568 -0.400 17822 443 1 . 1 1 94 94 VAL H H 94 8.168 8.168 7.915 0.253 17822 444 1 . 1 1 95 95 VAL N N 95 125.531 125.531 118.565 6.966 17822 445 1 . 1 1 95 95 VAL HA H 95 4.140 4.140 5.038 -0.898 17822 446 1 . 1 1 95 95 VAL CA C 95 60.303 60.303 59.829 0.474 17822 447 1 . 1 1 95 95 VAL CB C 95 35.195 35.195 34.416 0.779 17822 448 1 . 1 1 95 95 VAL H H 95 8.744 8.744 8.272 0.472 17822 449 1 . 1 1 96 96 TYR N N 96 123.577 123.577 123.725 -0.148 17822 450 1 . 1 1 96 96 TYR HA H 96 5.332 5.332 5.618 -0.286 17822 451 1 . 1 1 96 96 TYR CA C 96 56.577 56.577 55.918 0.659 17822 452 1 . 1 1 96 96 TYR CB C 96 40.620 40.620 41.304 -0.684 17822 453 1 . 1 1 96 96 TYR H H 96 8.698 8.698 9.251 -0.554 17822 454 1 . 1 1 97 97 CYS N N 97 120.144 120.144 122.933 -2.789 17822 455 1 . 1 1 97 97 CYS HA H 97 5.548 5.548 5.781 -0.233 17822 456 1 . 1 1 97 97 CYS CA C 97 56.577 56.577 57.357 -0.780 17822 457 1 . 1 1 97 97 CYS CB C 97 31.786 31.786 30.450 1.336 17822 458 1 . 1 1 97 97 CYS H H 97 8.796 8.796 8.323 0.473 17822 459 1 . 1 1 98 98 GLY N N 98 112.534 112.534 113.961 -1.427 17822 460 1 . 1 1 98 98 GLY CA C 98 45.798 45.798 45.365 0.432 17822 461 1 . 1 1 98 98 GLY H H 98 8.776 8.776 8.302 0.474 17822 462 1 . 1 1 99 99 THR N N 99 119.083 119.083 116.550 2.533 17822 463 1 . 1 1 99 99 THR HA H 99 4.821 4.821 5.402 -0.581 17822 464 1 . 1 1 99 99 THR CA C 99 62.294 62.294 61.803 0.491 17822 465 1 . 1 1 99 99 THR CB C 99 69.781 69.781 70.902 -1.121 17822 466 1 . 1 1 99 99 THR H H 99 8.168 8.168 8.389 -0.221 17822 467 1 . 1 1 100 100 ILE N N 100 122.250 122.250 123.281 -1.031 17822 468 1 . 1 1 100 100 ILE HA H 100 4.577 4.577 4.673 -0.096 17822 469 1 . 1 1 100 100 ILE CA C 100 58.583 58.583 58.794 -0.211 17822 470 1 . 1 1 100 100 ILE CB C 100 40.509 40.509 40.529 -0.020 17822 471 1 . 1 1 100 100 ILE H H 100 8.838 8.838 8.567 0.271 17822 472 1 . 1 1 101 101 VAL N N 101 120.622 120.622 124.377 -3.755 17822 473 1 . 1 1 101 101 VAL HA H 101 4.650 4.650 4.851 -0.201 17822 474 1 . 1 1 101 101 VAL CA C 101 60.590 60.590 59.513 1.077 17822 475 1 . 1 1 101 101 VAL CB C 101 32.889 32.889 34.606 -1.717 17822 476 1 . 1 1 101 101 VAL H H 101 8.310 8.310 8.385 -0.075 17822 477 1 . 1 1 102 102 THR N N 102 118.661 118.661 120.808 -2.147 17822 478 1 . 1 1 102 102 THR HA H 102 4.658 4.658 4.653 0.005 17822 479 1 . 1 1 102 102 THR CA C 102 60.590 60.590 60.233 0.357 17822 480 1 . 1 1 102 102 THR CB C 102 71.189 71.189 70.380 0.809 17822 481 1 . 1 1 102 102 THR H H 102 8.867 8.867 8.151 0.716 17822 482 1 . 1 1 103 103 GLU N N 103 121.906 121.906 121.301 0.605 17822 483 1 . 1 1 103 103 GLU HA H 103 3.918 3.918 4.061 -0.143 17822 484 1 . 1 1 103 103 GLU CA C 103 58.927 58.927 58.889 0.038 17822 485 1 . 1 1 103 103 GLU CB C 103 28.930 28.930 29.274 -0.344 17822 486 1 . 1 1 103 103 GLU H H 103 9.243 9.243 8.799 0.444 17822 487 1 . 1 1 104 104 GLU N N 104 116.013 116.013 118.723 -2.710 17822 488 1 . 1 1 104 104 GLU HA H 104 4.174 4.174 4.150 0.024 17822 489 1 . 1 1 104 104 GLU CA C 104 56.233 56.233 56.154 0.079 17822 490 1 . 1 1 104 104 GLU CB C 104 29.467 29.467 29.261 0.206 17822 491 1 . 1 1 104 104 GLU H H 104 7.716 7.716 7.793 -0.077 17822 492 1 . 1 1 105 105 GLY N N 105 109.001 109.001 107.691 1.310 17822 493 1 . 1 1 105 105 GLY CA C 105 44.705 44.705 45.285 -0.580 17822 494 1 . 1 1 105 105 GLY H H 105 8.045 8.045 8.003 0.042 17822 495 1 . 1 1 106 106 LYS N N 106 119.559 119.559 119.130 0.429 17822 496 1 . 1 1 106 106 LYS HA H 106 4.331 4.331 4.627 -0.296 17822 497 1 . 1 1 106 106 LYS CA C 106 54.455 54.455 54.529 -0.074 17822 498 1 . 1 1 106 106 LYS CB C 106 33.422 33.422 33.522 -0.100 17822 499 1 . 1 1 106 106 LYS H H 106 6.924 6.924 7.587 -0.663 17822 500 1 . 1 1 107 107 GLU N N 107 121.771 121.771 124.473 -2.702 17822 501 1 . 1 1 107 107 GLU HA H 107 4.954 4.954 4.337 0.617 17822 502 1 . 1 1 107 107 GLU CA C 107 55.602 55.602 56.468 -0.866 17822 503 1 . 1 1 107 107 GLU CB C 107 31.285 31.285 30.673 0.612 17822 504 1 . 1 1 107 107 GLU H H 107 8.371 8.371 8.721 -0.350 17822 505 1 . 1 1 108 108 LYS N N 108 125.216 125.216 122.145 3.071 17822 506 1 . 1 1 108 108 LYS HA H 108 4.440 4.440 4.452 -0.012 17822 507 1 . 1 1 108 108 LYS CA C 108 55.086 55.086 55.317 -0.231 17822 508 1 . 1 1 108 108 LYS CB C 108 35.915 35.915 34.635 1.280 17822 509 1 . 1 1 108 108 LYS H H 108 8.946 8.946 8.225 0.721 17822 510 1 . 1 1 109 109 LYS N N 109 125.136 125.136 128.497 -3.361 17822 511 1 . 1 1 109 109 LYS HA H 109 4.636 4.636 4.489 0.147 17822 512 1 . 1 1 109 109 LYS CA C 109 55.774 55.774 56.233 -0.459 17822 513 1 . 1 1 109 109 LYS CB C 109 32.800 32.800 32.581 0.219 17822 514 1 . 1 1 109 109 LYS H H 109 8.548 8.548 8.593 -0.045 17822 515 1 . 1 1 110 110 VAL N N 110 125.626 125.626 127.605 -1.979 17822 516 1 . 1 1 110 110 VAL HA H 110 4.076 4.076 4.103 -0.027 17822 517 1 . 1 1 110 110 VAL CA C 110 61.564 61.564 62.225 -0.661 17822 518 1 . 1 1 110 110 VAL CB C 110 33.892 33.892 32.616 1.276 17822 519 1 . 1 1 110 110 VAL H H 110 8.850 8.850 8.927 -0.077 17822 520 1 . 1 1 111 111 ASN N N 111 126.837 126.837 126.669 0.168 17822 521 1 . 1 1 111 111 ASN HA H 111 5.288 5.288 5.432 -0.144 17822 522 1 . 1 1 111 111 ASN CA C 111 53.309 53.309 52.280 1.029 17822 523 1 . 1 1 111 111 ASN CB C 111 40.469 40.469 40.340 0.129 17822 524 1 . 1 1 111 111 ASN H H 111 8.711 8.711 8.444 0.267 17822 525 1 . 1 1 112 112 ILE N N 112 125.729 125.729 124.056 1.673 17822 526 1 . 1 1 112 112 ILE HA H 112 4.384 4.384 4.453 -0.069 17822 527 1 . 1 1 112 112 ILE CA C 112 60.189 60.189 61.025 -0.836 17822 528 1 . 1 1 112 112 ILE CB C 112 41.852 41.852 41.825 0.027 17822 529 1 . 1 1 112 112 ILE H H 112 8.931 8.931 8.562 0.369 17822 530 1 . 1 1 113 113 ASP N N 113 122.734 122.734 124.967 -2.233 17822 531 1 . 1 1 113 113 ASP HA H 113 5.790 5.790 5.946 -0.156 17822 532 1 . 1 1 113 113 ASP CA C 113 52.205 52.205 53.509 -1.304 17822 533 1 . 1 1 113 113 ASP CB C 113 43.521 43.521 43.869 -0.348 17822 534 1 . 1 1 113 113 ASP H H 113 8.116 8.116 8.493 -0.377 17822 535 1 . 1 1 114 114 PHE N N 114 116.385 116.385 118.778 -2.393 17822 536 1 . 1 1 114 114 PHE HA H 114 4.703 4.703 4.824 -0.121 17822 537 1 . 1 1 114 114 PHE CA C 114 56.462 56.462 56.593 -0.131 17822 538 1 . 1 1 114 114 PHE CB C 114 39.707 39.707 40.557 -0.850 17822 539 1 . 1 1 114 114 PHE H H 114 8.613 8.613 8.264 0.349 17822 540 1 . 1 1 115 115 GLU N N 115 124.642 124.642 120.662 3.980 17822 541 1 . 1 1 115 115 GLU HA H 115 4.793 4.793 4.499 0.294 17822 542 1 . 1 1 115 115 GLU CA C 115 51.703 51.703 53.106 -1.403 17822 543 1 . 1 1 115 115 GLU CB C 115 31.125 31.125 29.696 1.429 17822 544 1 . 1 1 115 115 GLU H H 115 8.591 8.591 8.367 0.224 17822 545 1 . 1 1 116 116 PRO HA H 116 4.583 4.583 4.238 0.345 17822 546 1 . 1 1 116 116 PRO CA C 116 62.351 62.351 62.415 -0.064 17822 547 1 . 1 1 116 116 PRO CB C 116 30.962 30.962 32.286 -1.324 17822 548 1 . 1 1 117 117 PHE N N 117 116.676 116.676 113.092 3.584 17822 549 1 . 1 1 117 117 PHE HA H 117 4.194 4.194 4.592 -0.398 17822 550 1 . 1 1 117 117 PHE CA C 117 58.639 58.639 57.967 0.672 17822 551 1 . 1 1 117 117 PHE CB C 117 38.752 38.752 40.216 -1.464 17822 552 1 . 1 1 117 117 PHE H H 117 7.842 7.842 8.223 -0.381 17822 553 1 . 1 1 118 118 LYS N N 118 118.589 118.589 119.375 -0.786 17822 554 1 . 1 1 118 118 LYS HA H 118 4.183 4.183 4.317 -0.134 17822 555 1 . 1 1 118 118 LYS CA C 118 52.334 52.334 52.488 -0.154 17822 556 1 . 1 1 118 118 LYS CB C 118 34.193 34.193 32.412 1.781 17822 557 1 . 1 1 118 118 LYS H H 118 6.889 6.889 7.052 -0.163 17822 558 1 . 1 1 119 119 PRO HA H 119 4.523 4.523 4.500 0.023 17822 559 1 . 1 1 119 119 PRO CA C 119 62.616 62.616 62.153 0.463 17822 560 1 . 1 1 119 119 PRO CB C 119 32.172 32.172 32.432 -0.260 17822 561 1 . 1 1 120 120 ILE N N 120 121.968 121.968 121.997 -0.029 17822 562 1 . 1 1 120 120 ILE HA H 120 3.906 3.906 4.170 -0.264 17822 563 1 . 1 1 120 120 ILE CA C 120 60.418 60.418 58.684 1.734 17822 564 1 . 1 1 120 120 ILE CB C 120 38.805 38.805 38.242 0.563 17822 565 1 . 1 1 120 120 ILE H H 120 7.440 7.440 7.741 -0.301 17822 566 1 . 1 1 121 121 ASN N N 121 120.951 120.951 126.378 -5.427 17822 567 1 . 1 1 121 121 ASN HA H 121 4.632 4.632 4.416 0.216 17822 568 1 . 1 1 121 121 ASN CA C 121 53.882 53.882 55.094 -1.212 17822 569 1 . 1 1 121 121 ASN CB C 121 39.298 39.298 38.685 0.613 17822 570 1 . 1 1 121 121 ASN H H 121 8.112 8.112 8.766 -0.654 17822 571 1 . 1 1 122 122 GLN N N 122 118.826 118.826 115.791 3.035 17822 572 1 . 1 1 122 122 GLN HA H 122 4.412 4.412 4.426 -0.014 17822 573 1 . 1 1 122 122 GLN CA C 122 54.398 54.398 54.849 -0.451 17822 574 1 . 1 1 122 122 GLN CB C 122 31.486 31.486 30.809 0.677 17822 575 1 . 1 1 122 122 GLN H H 122 7.009 7.009 7.634 -0.625 17822 576 1 . 1 1 123 123 PHE N N 123 122.795 122.795 118.884 3.911 17822 577 1 . 1 1 123 123 PHE HA H 123 4.714 4.714 4.464 0.250 17822 578 1 . 1 1 123 123 PHE CA C 123 57.207 57.207 58.039 -0.832 17822 579 1 . 1 1 123 123 PHE CB C 123 39.718 39.718 38.866 0.852 17822 580 1 . 1 1 123 123 PHE H H 123 8.335 8.335 8.718 -0.383 17822 581 1 . 1 1 124 124 MET N N 124 126.990 126.990 126.534 0.456 17822 582 1 . 1 1 124 124 MET HA H 124 3.984 3.984 4.460 -0.476 17822 583 1 . 1 1 124 124 MET CA C 124 54.799 54.799 54.377 0.422 17822 584 1 . 1 1 124 124 MET CB C 124 37.330 37.330 36.212 1.118 17822 585 1 . 1 1 124 124 MET H H 124 7.992 7.992 8.429 -0.437 17822 586 1 . 1 1 125 125 TYR N N 125 122.216 122.216 124.706 -2.490 17822 587 1 . 1 1 125 125 TYR HA H 125 4.904 4.904 4.503 0.401 17822 588 1 . 1 1 125 125 TYR CA C 125 56.749 56.749 57.123 -0.374 17822 589 1 . 1 1 125 125 TYR CB C 125 41.153 41.153 40.485 0.668 17822 590 1 . 1 1 125 125 TYR H H 125 7.552 7.552 8.123 -0.571 17822 591 1 . 1 1 126 126 PHE N N 126 124.584 124.584 118.651 5.933 17822 592 1 . 1 1 126 126 PHE HA H 126 4.075 4.075 4.705 -0.630 17822 593 1 . 1 1 126 126 PHE CA C 126 56.405 56.405 55.754 0.651 17822 594 1 . 1 1 126 126 PHE CB C 126 44.419 44.419 40.665 3.754 17822 595 1 . 1 1 126 126 PHE H H 126 8.271 8.271 6.614 1.657 17822 596 1 . 1 1 127 127 CYS N N 127 124.011 124.011 119.927 4.084 17822 597 1 . 1 1 127 127 CYS HA H 127 4.796 4.796 4.588 0.208 17822 598 1 . 1 1 127 127 CYS CA C 127 57.840 57.840 57.532 0.308 17822 599 1 . 1 1 127 127 CYS CB C 127 25.931 25.931 30.634 -4.703 17822 600 1 . 1 1 127 127 CYS H H 127 8.442 8.442 8.880 -0.438 17822 601 1 . 1 1 128 128 ASP N N 128 127.486 127.486 122.056 5.430 17822 602 1 . 1 1 128 128 ASP HA H 128 5.006 5.006 4.584 0.422 17822 603 1 . 1 1 128 128 ASP CA C 128 52.506 52.506 54.675 -2.169 17822 604 1 . 1 1 128 128 ASP CB C 128 44.396 44.396 41.799 2.597 17822 605 1 . 1 1 128 128 ASP H H 128 8.907 8.907 8.439 0.468 17822 606 1 . 1 1 129 129 ASN N N 129 119.092 119.092 117.222 1.870 17822 607 1 . 1 1 129 129 ASN HA H 129 4.664 4.664 4.311 0.353 17822 608 1 . 1 1 129 129 ASN CA C 129 52.735 52.735 54.236 -1.501 17822 609 1 . 1 1 129 129 ASN CB C 129 37.902 37.902 37.544 0.358 17822 610 1 . 1 1 129 129 ASN H H 129 9.136 9.136 8.681 0.455 17822 611 1 . 1 1 130 130 LYS N N 130 114.367 114.367 114.110 0.257 17822 612 1 . 1 1 130 130 LYS HA H 130 4.163 4.163 4.406 -0.243 17822 613 1 . 1 1 130 130 LYS CA C 130 54.226 54.226 55.351 -1.125 17822 614 1 . 1 1 130 130 LYS CB C 130 34.092 34.092 34.165 -0.073 17822 615 1 . 1 1 130 130 LYS H H 130 7.115 7.115 7.139 -0.024 17822 616 1 . 1 1 131 131 PHE N N 131 121.117 121.117 120.897 0.220 17822 617 1 . 1 1 131 131 PHE HA H 131 4.515 4.515 4.555 -0.040 17822 618 1 . 1 1 131 131 PHE CA C 131 57.150 57.150 59.007 -1.857 17822 619 1 . 1 1 131 131 PHE CB C 131 39.089 39.089 40.126 -1.037 17822 620 1 . 1 1 131 131 PHE H H 131 9.291 9.291 8.765 0.526 17822 621 1 . 1 1 132 132 HIS N N 132 121.897 121.897 124.460 -2.563 17822 622 1 . 1 1 132 132 HIS HA H 132 4.383 4.383 4.863 -0.480 17822 623 1 . 1 1 132 132 HIS CA C 132 56.003 56.003 55.592 0.411 17822 624 1 . 1 1 132 132 HIS CB C 132 28.343 28.343 30.635 -2.292 17822 625 1 . 1 1 132 132 HIS H H 132 9.026 9.026 8.532 0.494 17822 626 1 . 1 1 133 133 THR N N 133 117.915 117.915 117.837 0.078 17822 627 1 . 1 1 133 133 THR HA H 133 4.612 4.612 4.739 -0.127 17822 628 1 . 1 1 133 133 THR CA C 133 61.679 61.679 61.711 -0.032 17822 629 1 . 1 1 133 133 THR CB C 133 73.856 73.856 70.670 3.186 17822 630 1 . 1 1 133 133 THR H H 133 8.700 8.700 8.489 0.210 17822 631 1 . 1 1 134 134 GLU N N 134 129.072 129.072 127.759 1.313 17822 632 1 . 1 1 134 134 GLU HA H 134 3.979 3.979 4.230 -0.251 17822 633 1 . 1 1 134 134 GLU CA C 134 60.533 60.533 59.179 1.354 17822 634 1 . 1 1 134 134 GLU CB C 134 27.503 27.503 29.806 -2.303 17822 635 1 . 1 1 134 134 GLU H H 134 10.805 10.805 8.685 2.120 17822 636 1 . 1 1 135 135 ALA N N 135 122.099 122.099 122.098 0.001 17822 637 1 . 1 1 135 135 ALA HA H 135 4.071 4.071 4.048 0.023 17822 638 1 . 1 1 135 135 ALA CA C 135 54.513 54.513 55.081 -0.568 17822 639 1 . 1 1 135 135 ALA CB C 135 18.761 18.761 17.814 0.947 17822 640 1 . 1 1 135 135 ALA H H 135 8.590 8.590 8.624 -0.034 17822 641 1 . 1 1 136 136 LEU N N 136 116.720 116.720 117.725 -1.005 17822 642 1 . 1 1 136 136 LEU HA H 136 4.054 4.054 4.052 0.002 17822 643 1 . 1 1 136 136 LEU CA C 136 56.577 56.577 57.846 -1.269 17822 644 1 . 1 1 136 136 LEU CB C 136 41.311 41.311 41.579 -0.268 17822 645 1 . 1 1 136 136 LEU H H 136 7.471 7.471 7.770 -0.299 17822 646 1 . 1 1 137 137 THR N N 137 117.177 117.177 113.097 4.080 17822 647 1 . 1 1 137 137 THR HA H 137 4.005 4.005 4.039 -0.034 17822 648 1 . 1 1 137 137 THR CA C 137 66.610 66.610 65.361 1.249 17822 649 1 . 1 1 137 137 THR CB C 137 67.980 67.980 68.870 -0.890 17822 650 1 . 1 1 137 137 THR H H 137 8.044 8.044 7.611 0.433 17822 651 1 . 1 1 138 138 ALA N N 138 124.719 124.719 123.840 0.879 17822 652 1 . 1 1 138 138 ALA HA H 138 4.001 4.001 4.260 -0.259 17822 653 1 . 1 1 138 138 ALA CA C 138 54.914 54.914 54.527 0.387 17822 654 1 . 1 1 138 138 ALA CB C 138 17.497 17.497 18.715 -1.218 17822 655 1 . 1 1 138 138 ALA H H 138 7.695 7.695 8.197 -0.502 17822 656 1 . 1 1 139 139 LEU N N 139 120.059 120.059 120.600 -0.541 17822 657 1 . 1 1 139 139 LEU HA H 139 3.999 3.999 4.022 -0.023 17822 658 1 . 1 1 139 139 LEU CA C 139 57.494 57.494 58.013 -0.519 17822 659 1 . 1 1 139 139 LEU CB C 139 41.812 41.812 40.838 0.974 17822 660 1 . 1 1 139 139 LEU H H 139 7.345 7.345 8.084 -0.739 17822 661 1 . 1 1 140 140 LEU N N 140 117.771 117.771 118.427 -0.656 17822 662 1 . 1 1 140 140 LEU HA H 140 3.957 3.957 3.993 -0.036 17822 663 1 . 1 1 140 140 LEU CA C 140 56.978 56.978 58.514 -1.536 17822 664 1 . 1 1 140 140 LEU CB C 140 41.239 41.239 41.292 -0.053 17822 665 1 . 1 1 140 140 LEU H H 140 7.748 7.748 7.898 -0.150 17822 666 1 . 1 1 141 141 SER N N 141 114.778 114.778 112.916 1.862 17822 667 1 . 1 1 141 141 SER HA H 141 4.107 4.107 4.226 -0.119 17822 668 1 . 1 1 141 141 SER CA C 141 60.647 60.647 60.912 -0.265 17822 669 1 . 1 1 141 141 SER CB C 141 62.650 62.650 62.957 -0.307 17822 670 1 . 1 1 141 141 SER H H 141 7.807 7.807 7.649 0.158 17822 671 1 . 1 1 142 142 ASP N N 142 121.827 121.827 121.719 0.108 17822 672 1 . 1 1 142 142 ASP HA H 142 4.358 4.358 4.522 -0.164 17822 673 1 . 1 1 142 142 ASP CA C 142 56.061 56.061 56.341 -0.280 17822 674 1 . 1 1 142 142 ASP CB C 142 40.609 40.609 41.179 -0.570 17822 675 1 . 1 1 142 142 ASP H H 142 7.878 7.878 8.066 -0.188 17822 676 1 . 1 1 143 143 LEU N N 143 120.220 120.220 119.514 0.706 17822 677 1 . 1 1 143 143 LEU HA H 143 3.972 3.972 4.197 -0.225 17822 678 1 . 1 1 143 143 LEU CA C 143 56.462 56.462 56.641 -0.179 17822 679 1 . 1 1 143 143 LEU CB C 143 42.214 42.214 42.690 -0.476 17822 680 1 . 1 1 143 143 LEU H H 143 7.846 7.846 8.210 -0.364 17822 stop_ save_