data_18015 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18015 _Entry.PDB_ID 2LKX 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 18015 _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 5 5 ARG N N 2 123.855 123.855 118.779 5.076 18015 2 1 1 . 1 1 5 5 ARG HA H 2 4.475 4.475 3.980 0.495 18015 3 1 1 . 1 1 5 5 ARG CA C 2 55.904 55.904 57.675 -1.771 18015 4 1 1 . 1 1 5 5 ARG H H 2 8.472 8.472 8.033 0.439 18015 5 1 1 . 1 1 6 6 ARG N N 3 125.147 125.147 121.615 3.532 18015 6 1 1 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.536 -0.252 18015 7 1 1 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.623 0.762 18015 8 1 1 . 1 1 6 6 ARG H H 3 9.078 9.078 8.465 0.613 18015 9 1 1 . 1 1 7 7 GLN N N 4 122.134 122.134 122.932 -0.798 18015 10 1 1 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.250 0.051 18015 11 1 1 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.134 -0.563 18015 12 1 1 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.382 0.168 18015 13 1 1 . 1 1 7 7 GLN H H 4 8.475 8.475 8.459 0.016 18015 14 1 1 . 1 1 8 8 ARG N N 5 124.132 124.132 120.422 3.710 18015 15 1 1 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.204 0.081 18015 16 1 1 . 1 1 8 8 ARG H H 5 8.631 8.631 8.241 0.390 18015 17 1 1 . 1 1 9 9 THR N N 6 125.523 125.523 116.038 9.485 18015 18 1 1 . 1 1 9 9 THR HA H 6 3.831 3.831 4.103 -0.272 18015 19 1 1 . 1 1 9 9 THR CA C 6 64.978 64.978 62.791 2.187 18015 20 1 1 . 1 1 9 9 THR CB C 6 69.109 69.109 68.455 0.654 18015 21 1 1 . 1 1 9 9 THR H H 6 8.036 8.036 8.471 -0.435 18015 22 1 1 . 1 1 10 10 HIS N N 7 125.571 125.571 116.408 9.163 18015 23 1 1 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.377 0.384 18015 24 1 1 . 1 1 10 10 HIS CB C 7 28.769 28.769 27.738 1.031 18015 25 1 1 . 1 1 10 10 HIS H H 7 8.690 8.690 8.274 0.416 18015 26 1 1 . 1 1 11 11 PHE N N 8 126.330 126.330 119.587 6.743 18015 27 1 1 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.485 0.349 18015 28 1 1 . 1 1 11 11 PHE CB C 8 40.533 40.533 39.647 0.887 18015 29 1 1 . 1 1 11 11 PHE H H 8 8.703 8.703 8.091 0.612 18015 30 1 1 . 1 1 12 12 THR N N 9 113.642 113.642 114.330 -0.688 18015 31 1 1 . 1 1 12 12 THR HA H 9 4.542 4.542 4.536 0.006 18015 32 1 1 . 1 1 12 12 THR CA C 9 60.379 60.379 60.952 -0.573 18015 33 1 1 . 1 1 12 12 THR H H 9 9.165 9.165 8.339 0.826 18015 34 1 1 . 1 1 13 13 SER N N 10 116.602 116.602 119.387 -2.785 18015 35 1 1 . 1 1 13 13 SER HA H 10 4.187 4.187 4.066 0.120 18015 36 1 1 . 1 1 13 13 SER CA C 10 61.887 61.887 61.730 0.157 18015 37 1 1 . 1 1 13 13 SER CB C 10 62.286 62.286 62.988 -0.702 18015 38 1 1 . 1 1 13 13 SER H H 10 9.188 9.188 8.909 0.279 18015 39 1 1 . 1 1 14 14 GLN N N 11 120.969 120.969 120.450 0.519 18015 40 1 1 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.077 -0.024 18015 41 1 1 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.602 0.976 18015 42 1 1 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.023 -0.109 18015 43 1 1 . 1 1 14 14 GLN H H 11 8.415 8.415 8.457 -0.042 18015 44 1 1 . 1 1 15 15 GLN N N 12 119.255 119.255 118.705 0.550 18015 45 1 1 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.026 -0.193 18015 46 1 1 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.240 1.196 18015 47 1 1 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.472 -0.507 18015 48 1 1 . 1 1 15 15 GLN H H 12 7.799 7.799 7.679 0.120 18015 49 1 1 . 1 1 16 16 LEU N N 13 117.041 117.041 120.306 -3.265 18015 50 1 1 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.780 -0.164 18015 51 1 1 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.660 0.233 18015 52 1 1 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.227 0.379 18015 53 1 1 . 1 1 16 16 LEU H H 13 8.299 8.299 7.681 0.618 18015 54 1 1 . 1 1 17 17 GLN N N 14 118.025 118.025 116.152 1.873 18015 55 1 1 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.310 -0.318 18015 56 1 1 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.245 0.912 18015 57 1 1 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.348 0.159 18015 58 1 1 . 1 1 17 17 GLN H H 14 8.160 8.160 8.050 0.110 18015 59 1 1 . 1 1 18 18 GLU N N 15 119.789 119.789 119.020 0.769 18015 60 1 1 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.407 -0.226 18015 61 1 1 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.166 1.372 18015 62 1 1 . 1 1 18 18 GLU CB C 15 29.450 29.450 30.674 -1.224 18015 63 1 1 . 1 1 18 18 GLU H H 15 7.582 7.582 7.557 0.025 18015 64 1 1 . 1 1 19 19 LEU N N 16 123.483 123.483 120.984 2.499 18015 65 1 1 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.801 -0.288 18015 66 1 1 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.391 0.179 18015 67 1 1 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.007 -3.141 18015 68 1 1 . 1 1 19 19 LEU H H 16 8.313 8.313 8.426 -0.113 18015 69 1 1 . 1 1 20 20 GLU N N 17 119.146 119.146 119.345 -0.199 18015 70 1 1 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.167 0.238 18015 71 1 1 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.792 -0.862 18015 72 1 1 . 1 1 20 20 GLU H H 17 8.257 8.257 8.567 -0.310 18015 73 1 1 . 1 1 21 21 ALA N N 18 120.611 120.611 121.043 -0.432 18015 74 1 1 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.174 0.006 18015 75 1 1 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.659 0.525 18015 76 1 1 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.033 -0.019 18015 77 1 1 . 1 1 21 21 ALA H H 18 7.954 7.954 8.414 -0.460 18015 78 1 1 . 1 1 22 22 THR N N 19 113.517 113.517 115.827 -2.310 18015 79 1 1 . 1 1 22 22 THR HA H 19 4.103 4.103 4.182 -0.079 18015 80 1 1 . 1 1 22 22 THR CA C 19 66.956 66.956 66.688 0.268 18015 81 1 1 . 1 1 22 22 THR CB C 19 68.338 68.338 69.299 -0.961 18015 82 1 1 . 1 1 22 22 THR H H 19 7.940 7.940 7.585 0.355 18015 83 1 1 . 1 1 23 23 PHE N N 20 125.431 125.431 122.337 3.094 18015 84 1 1 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.736 -0.363 18015 85 1 1 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.304 1.438 18015 86 1 1 . 1 1 23 23 PHE H H 20 8.839 8.839 8.582 0.257 18015 87 1 1 . 1 1 24 24 GLN N N 21 112.304 112.304 116.794 -4.490 18015 88 1 1 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.122 -0.316 18015 89 1 1 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.375 0.031 18015 90 1 1 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.554 -0.403 18015 91 1 1 . 1 1 24 24 GLN H H 21 7.921 7.921 8.180 -0.259 18015 92 1 1 . 1 1 25 25 ARG N N 22 116.707 116.707 116.693 0.014 18015 93 1 1 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.530 -0.166 18015 94 1 1 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.097 1.048 18015 95 1 1 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.537 -0.972 18015 96 1 1 . 1 1 25 25 ARG H H 22 7.408 7.408 7.980 -0.572 18015 97 1 1 . 1 1 26 26 ASN N N 23 119.274 119.274 119.544 -0.270 18015 98 1 1 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.923 -0.440 18015 99 1 1 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.797 0.037 18015 100 1 1 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.910 -1.347 18015 101 1 1 . 1 1 26 26 ASN H H 23 8.251 8.251 8.369 -0.118 18015 102 1 1 . 1 1 27 27 ARG N N 24 121.408 121.408 122.276 -0.868 18015 103 1 1 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.203 -0.403 18015 104 1 1 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.472 0.174 18015 105 1 1 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.488 0.515 18015 106 1 1 . 1 1 27 27 ARG H H 24 8.400 8.400 8.704 -0.304 18015 107 1 1 . 1 1 28 28 TYR N N 25 113.992 113.992 118.164 -4.172 18015 108 1 1 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.945 -0.287 18015 109 1 1 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.275 0.416 18015 110 1 1 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.210 0.925 18015 111 1 1 . 1 1 28 28 TYR H H 25 7.734 7.734 7.856 -0.122 18015 112 1 1 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.403 0.008 18015 113 1 1 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.615 0.050 18015 114 1 1 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.083 -1.030 18015 115 1 1 . 1 1 30 30 ASP N N 27 124.189 124.189 123.772 0.417 18015 116 1 1 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.558 -0.064 18015 117 1 1 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.726 -1.196 18015 118 1 1 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.010 -2.437 18015 119 1 1 . 1 1 30 30 ASP H H 27 8.467 8.467 8.633 -0.166 18015 120 1 1 . 1 1 31 31 MET N N 28 119.367 119.367 122.232 -2.865 18015 121 1 1 . 1 1 31 31 MET HA H 28 3.861 3.861 4.081 -0.220 18015 122 1 1 . 1 1 31 31 MET CA C 28 60.361 60.361 58.407 1.954 18015 123 1 1 . 1 1 31 31 MET CB C 28 32.022 32.022 32.554 -0.532 18015 124 1 1 . 1 1 31 31 MET H H 28 8.687 8.687 8.540 0.147 18015 125 1 1 . 1 1 32 32 SER N N 29 113.279 113.279 114.485 -1.206 18015 126 1 1 . 1 1 32 32 SER HA H 29 4.245 4.245 4.261 -0.016 18015 127 1 1 . 1 1 32 32 SER CA C 29 61.815 61.815 61.111 0.704 18015 128 1 1 . 1 1 32 32 SER CB C 29 62.447 62.447 62.664 -0.218 18015 129 1 1 . 1 1 32 32 SER H H 29 8.387 8.387 8.962 -0.575 18015 130 1 1 . 1 1 33 33 THR N N 30 120.829 120.829 117.900 2.929 18015 131 1 1 . 1 1 33 33 THR HA H 30 4.004 4.004 4.535 -0.531 18015 132 1 1 . 1 1 33 33 THR CA C 30 66.957 66.957 65.095 1.862 18015 133 1 1 . 1 1 33 33 THR CB C 30 67.626 67.626 69.562 -1.936 18015 134 1 1 . 1 1 33 33 THR H H 30 8.406 8.406 7.702 0.704 18015 135 1 1 . 1 1 34 34 ARG N N 31 120.944 120.944 121.839 -0.895 18015 136 1 1 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.913 -0.043 18015 137 1 1 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.979 1.179 18015 138 1 1 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.151 2.304 18015 139 1 1 . 1 1 34 34 ARG H H 31 8.955 8.955 8.455 0.500 18015 140 1 1 . 1 1 35 35 GLU N N 32 118.711 118.711 118.925 -0.214 18015 141 1 1 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.011 -0.018 18015 142 1 1 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.262 0.569 18015 143 1 1 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.917 0.316 18015 144 1 1 . 1 1 35 35 GLU H H 32 8.608 8.608 8.589 0.019 18015 145 1 1 . 1 1 36 36 GLU N N 33 121.133 121.133 120.162 0.971 18015 146 1 1 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.615 0.382 18015 147 1 1 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.601 1.091 18015 148 1 1 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.424 -0.072 18015 149 1 1 . 1 1 36 36 GLU H H 33 7.639 7.639 7.298 0.341 18015 150 1 1 . 1 1 37 37 ILE N N 34 119.761 119.761 119.757 0.004 18015 151 1 1 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.645 -0.014 18015 152 1 1 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.454 -0.726 18015 153 1 1 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.592 0.939 18015 154 1 1 . 1 1 37 37 ILE H H 34 8.415 8.415 8.064 0.351 18015 155 1 1 . 1 1 38 38 ALA N N 35 124.272 124.272 122.656 1.616 18015 156 1 1 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.149 -0.468 18015 157 1 1 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.711 0.998 18015 158 1 1 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.431 -1.480 18015 159 1 1 . 1 1 38 38 ALA H H 35 8.551 8.551 7.506 1.045 18015 160 1 1 . 1 1 39 39 VAL N N 36 118.330 118.330 118.373 -0.043 18015 161 1 1 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.565 0.253 18015 162 1 1 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.698 -0.214 18015 163 1 1 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.119 0.466 18015 164 1 1 . 1 1 39 39 VAL H H 36 7.791 7.791 7.189 0.602 18015 165 1 1 . 1 1 40 40 TRP N N 37 120.237 120.237 119.936 0.301 18015 166 1 1 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.498 0.133 18015 167 1 1 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.768 0.332 18015 168 1 1 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.238 0.577 18015 169 1 1 . 1 1 40 40 TRP H H 37 8.109 8.109 7.404 0.705 18015 170 1 1 . 1 1 41 41 THR N N 38 104.809 104.809 106.350 -1.541 18015 171 1 1 . 1 1 41 41 THR HA H 38 4.374 4.374 4.369 0.005 18015 172 1 1 . 1 1 41 41 THR CA C 38 61.723 61.723 61.516 0.207 18015 173 1 1 . 1 1 41 41 THR CB C 38 71.088 71.088 70.465 0.623 18015 174 1 1 . 1 1 41 41 THR H H 38 8.011 8.011 7.312 0.699 18015 175 1 1 . 1 1 42 42 ASN N N 39 118.978 118.978 117.534 1.444 18015 176 1 1 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.349 0.185 18015 177 1 1 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.308 0.599 18015 178 1 1 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.334 -0.049 18015 179 1 1 . 1 1 42 42 ASN H H 39 7.925 7.925 8.047 -0.122 18015 180 1 1 . 1 1 43 43 LEU N N 40 120.124 120.124 119.079 1.045 18015 181 1 1 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.610 0.435 18015 182 1 1 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.754 -1.686 18015 183 1 1 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.163 3.948 18015 184 1 1 . 1 1 43 43 LEU H H 40 8.635 8.635 7.846 0.789 18015 185 1 1 . 1 1 44 44 THR N N 41 106.690 106.690 107.798 -1.108 18015 186 1 1 . 1 1 44 44 THR HA H 41 4.715 4.715 4.539 0.176 18015 187 1 1 . 1 1 44 44 THR CA C 41 59.511 59.511 59.675 -0.164 18015 188 1 1 . 1 1 44 44 THR CB C 41 71.419 71.419 71.084 0.335 18015 189 1 1 . 1 1 44 44 THR H H 41 7.081 7.081 7.854 -0.773 18015 190 1 1 . 1 1 45 45 GLU N N 42 124.087 124.087 122.665 1.422 18015 191 1 1 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.943 -0.313 18015 192 1 1 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.189 1.344 18015 193 1 1 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.483 -1.067 18015 194 1 1 . 1 1 45 45 GLU H H 42 9.452 9.452 8.924 0.528 18015 195 1 1 . 1 1 46 46 ALA N N 43 119.687 119.687 121.312 -1.625 18015 196 1 1 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.187 -0.177 18015 197 1 1 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.958 0.661 18015 198 1 1 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.123 0.476 18015 199 1 1 . 1 1 46 46 ALA H H 43 8.467 8.467 8.556 -0.089 18015 200 1 1 . 1 1 47 47 ARG N N 44 116.856 116.856 118.636 -1.780 18015 201 1 1 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.222 0.091 18015 202 1 1 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.392 0.642 18015 203 1 1 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.727 1.758 18015 204 1 1 . 1 1 47 47 ARG H H 44 7.657 7.657 7.839 -0.182 18015 205 1 1 . 1 1 48 48 VAL N N 45 120.046 120.046 120.773 -0.727 18015 206 1 1 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.795 -0.031 18015 207 1 1 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.692 0.616 18015 208 1 1 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.381 1.154 18015 209 1 1 . 1 1 48 48 VAL H H 45 8.008 8.008 7.723 0.285 18015 210 1 1 . 1 1 49 49 ARG N N 46 121.544 121.544 120.252 1.292 18015 211 1 1 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.054 -0.120 18015 212 1 1 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.001 0.607 18015 213 1 1 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.442 0.127 18015 214 1 1 . 1 1 49 49 ARG H H 46 9.432 9.432 8.365 1.067 18015 215 1 1 . 1 1 50 50 VAL N N 47 120.747 120.747 116.977 3.770 18015 216 1 1 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.906 -0.264 18015 217 1 1 . 1 1 50 50 VAL CA C 47 67.087 67.087 65.481 1.606 18015 218 1 1 . 1 1 50 50 VAL CB C 47 32.467 32.467 30.722 1.745 18015 219 1 1 . 1 1 50 50 VAL H H 47 8.103 8.103 8.507 -0.404 18015 220 1 1 . 1 1 51 51 TRP N N 48 122.857 122.857 123.638 -0.781 18015 221 1 1 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.173 0.710 18015 222 1 1 . 1 1 51 51 TRP H H 48 8.430 8.430 7.985 0.445 18015 223 1 1 . 1 1 52 52 PHE N N 49 118.314 118.314 118.550 -0.236 18015 224 1 1 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.995 -0.280 18015 225 1 1 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.739 0.869 18015 226 1 1 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.326 0.130 18015 227 1 1 . 1 1 52 52 PHE H H 49 9.045 9.045 8.943 0.102 18015 228 1 1 . 1 1 53 53 LYS N N 50 121.307 121.307 119.272 2.035 18015 229 1 1 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.921 0.021 18015 230 1 1 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.192 0.475 18015 231 1 1 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.010 1.203 18015 232 1 1 . 1 1 53 53 LYS H H 50 7.915 7.915 8.824 -0.909 18015 233 1 1 . 1 1 54 54 ASN N N 51 119.377 119.377 119.530 -0.153 18015 234 1 1 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.394 0.112 18015 235 1 1 . 1 1 54 54 ASN CA C 51 56.168 56.168 56.245 -0.077 18015 236 1 1 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.096 0.137 18015 237 1 1 . 1 1 54 54 ASN H H 51 8.669 8.669 8.100 0.569 18015 238 1 1 . 1 1 55 55 ARG N N 52 125.530 125.530 120.970 4.560 18015 239 1 1 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.577 0.105 18015 240 1 1 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.939 -1.364 18015 241 1 1 . 1 1 55 55 ARG H H 52 8.851 8.851 8.017 0.834 18015 242 1 1 . 1 1 56 56 ARG N N 53 120.194 120.194 119.442 0.752 18015 243 1 1 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.375 -0.076 18015 244 1 1 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.499 1.764 18015 245 1 1 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.282 1.197 18015 246 1 1 . 1 1 56 56 ARG H H 53 8.620 8.620 8.019 0.601 18015 247 1 1 . 1 1 57 57 ALA N N 54 121.998 121.998 122.381 -0.383 18015 248 1 1 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.146 0.194 18015 249 1 1 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.193 0.442 18015 250 1 1 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.395 -0.905 18015 251 1 1 . 1 1 57 57 ALA H H 54 7.386 7.386 8.629 -1.243 18015 252 1 1 . 1 1 58 58 LYS N N 55 120.111 120.111 117.139 2.972 18015 253 1 1 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.253 -0.187 18015 254 1 1 . 1 1 58 58 LYS CA C 55 59.624 59.624 57.195 2.429 18015 255 1 1 . 1 1 58 58 LYS H H 55 7.716 7.716 8.226 -0.510 18015 256 1 1 . 1 1 59 59 TRP N N 56 121.249 121.249 122.379 -1.130 18015 257 1 1 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.310 0.261 18015 258 1 1 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.703 0.721 18015 259 1 1 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.335 0.316 18015 260 1 1 . 1 1 59 59 TRP H H 56 8.362 8.362 8.117 0.245 18015 261 1 1 . 1 1 60 60 ARG N N 57 117.543 117.543 117.818 -0.275 18015 262 1 1 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.358 0.520 18015 263 1 1 . 1 1 60 60 ARG CA C 57 59.707 59.707 59.242 0.466 18015 264 1 1 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.913 1.379 18015 265 1 1 . 1 1 60 60 ARG H H 57 8.464 8.464 8.109 0.355 18015 266 1 1 . 1 1 61 61 LYS N N 58 118.252 118.252 117.096 1.156 18015 267 1 1 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.149 0.059 18015 268 1 1 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.110 0.189 18015 269 1 1 . 1 1 61 61 LYS CB C 58 33.132 33.132 31.913 1.219 18015 270 1 1 . 1 1 61 61 LYS H H 58 7.770 7.770 8.253 -0.483 18015 271 1 1 . 1 1 62 62 ARG N N 59 116.854 116.854 117.113 -0.259 18015 272 1 1 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.374 0.029 18015 273 1 1 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.446 -1.229 18015 274 1 1 . 1 1 62 62 ARG CB C 59 31.201 31.201 32.322 -1.121 18015 275 1 1 . 1 1 62 62 ARG H H 59 7.978 7.978 7.588 0.390 18015 276 1 1 . 1 1 63 63 GLU N N 60 119.450 119.450 116.997 2.453 18015 277 1 1 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.421 -0.438 18015 278 1 1 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.191 0.732 18015 279 1 1 . 1 1 63 63 GLU CB C 60 30.001 30.001 31.585 -1.584 18015 280 1 1 . 1 1 63 63 GLU H H 60 8.078 8.078 8.355 -0.277 18015 281 1 1 . 1 1 64 64 GLU N N 61 120.134 120.134 119.326 0.808 18015 282 1 1 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.706 0.068 18015 283 1 1 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.198 -1.748 18015 284 1 1 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.849 1.048 18015 285 1 1 . 1 1 64 64 GLU H H 61 7.889 7.889 8.257 -0.368 18015 286 1 1 . 1 1 65 65 PHE N N 62 118.794 118.794 112.087 6.707 18015 287 1 1 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.914 -0.336 18015 288 1 1 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.505 -0.544 18015 289 1 1 . 1 1 65 65 PHE CB C 62 39.297 39.297 40.601 -1.304 18015 290 1 1 . 1 1 65 65 PHE H H 62 7.731 7.731 7.904 -0.173 18015 291 1 1 . 1 1 66 66 ILE N N 63 123.529 123.529 123.274 0.255 18015 292 1 1 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.824 0.306 18015 293 1 1 . 1 1 66 66 ILE CA C 63 60.934 60.934 62.102 -1.168 18015 294 1 1 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.529 1.014 18015 295 1 1 . 1 1 66 66 ILE H H 63 7.802 7.802 7.118 0.684 18015 296 1 1 . 1 1 67 67 VAL N N 64 125.799 125.799 127.947 -2.148 18015 297 1 1 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.330 -0.133 18015 298 1 1 . 1 1 67 67 VAL CA C 64 62.225 62.225 62.349 -0.124 18015 299 1 1 . 1 1 67 67 VAL CB C 64 32.811 32.811 35.074 -2.263 18015 300 1 1 . 1 1 67 67 VAL H H 64 8.292 8.292 8.342 -0.050 18015 301 1 1 . 1 1 68 68 THR N N 65 118.825 118.825 114.732 4.093 18015 302 1 1 . 1 1 68 68 THR HA H 65 4.440 4.440 4.442 -0.002 18015 303 1 1 . 1 1 68 68 THR CA C 65 61.236 61.236 62.297 -1.061 18015 304 1 1 . 1 1 68 68 THR CB C 65 70.114 70.114 69.210 0.904 18015 305 1 1 . 1 1 68 68 THR H H 65 8.353 8.353 8.548 -0.195 18015 306 1 2 . 1 1 5 5 ARG N N 2 123.855 123.855 121.402 2.453 18015 307 1 2 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.651 -0.176 18015 308 1 2 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.527 0.377 18015 309 1 2 . 1 1 5 5 ARG H H 2 8.472 8.472 8.535 -0.063 18015 310 1 2 . 1 1 6 6 ARG N N 3 125.147 125.147 120.380 4.767 18015 311 1 2 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.215 0.069 18015 312 1 2 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.374 0.011 18015 313 1 2 . 1 1 6 6 ARG H H 3 9.078 9.078 8.412 0.666 18015 314 1 2 . 1 1 7 7 GLN N N 4 122.134 122.134 119.894 2.240 18015 315 1 2 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.644 -0.343 18015 316 1 2 . 1 1 7 7 GLN CA C 4 55.571 55.571 54.850 0.721 18015 317 1 2 . 1 1 7 7 GLN CB C 4 29.550 29.550 30.625 -1.075 18015 318 1 2 . 1 1 7 7 GLN H H 4 8.475 8.475 8.372 0.103 18015 319 1 2 . 1 1 8 8 ARG N N 5 124.132 124.132 120.233 3.899 18015 320 1 2 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.648 -0.363 18015 321 1 2 . 1 1 8 8 ARG H H 5 8.631 8.631 8.576 0.055 18015 322 1 2 . 1 1 9 9 THR N N 6 125.523 125.523 115.656 9.867 18015 323 1 2 . 1 1 9 9 THR HA H 6 3.831 3.831 4.338 -0.507 18015 324 1 2 . 1 1 9 9 THR CA C 6 64.978 64.978 60.760 4.218 18015 325 1 2 . 1 1 9 9 THR CB C 6 69.109 69.109 69.474 -0.365 18015 326 1 2 . 1 1 9 9 THR H H 6 8.036 8.036 8.235 -0.199 18015 327 1 2 . 1 1 10 10 HIS N N 7 125.571 125.571 124.217 1.354 18015 328 1 2 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.785 -0.024 18015 329 1 2 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.131 -0.362 18015 330 1 2 . 1 1 10 10 HIS H H 7 8.690 8.690 8.546 0.144 18015 331 1 2 . 1 1 11 11 PHE N N 8 126.330 126.330 124.206 2.124 18015 332 1 2 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.726 0.108 18015 333 1 2 . 1 1 11 11 PHE CB C 8 40.533 40.533 39.869 0.664 18015 334 1 2 . 1 1 11 11 PHE H H 8 8.703 8.703 8.337 0.366 18015 335 1 2 . 1 1 12 12 THR N N 9 113.642 113.642 113.889 -0.247 18015 336 1 2 . 1 1 12 12 THR HA H 9 4.542 4.542 4.807 -0.265 18015 337 1 2 . 1 1 12 12 THR CA C 9 60.379 60.379 60.311 0.068 18015 338 1 2 . 1 1 12 12 THR H H 9 9.165 9.165 9.289 -0.124 18015 339 1 2 . 1 1 13 13 SER N N 10 116.602 116.602 117.841 -1.239 18015 340 1 2 . 1 1 13 13 SER HA H 10 4.187 4.187 3.979 0.208 18015 341 1 2 . 1 1 13 13 SER CA C 10 61.887 61.887 62.200 -0.313 18015 342 1 2 . 1 1 13 13 SER CB C 10 62.286 62.286 62.913 -0.627 18015 343 1 2 . 1 1 13 13 SER H H 10 9.188 9.188 8.920 0.268 18015 344 1 2 . 1 1 14 14 GLN N N 11 120.969 120.969 119.703 1.266 18015 345 1 2 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.156 -0.103 18015 346 1 2 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.098 1.480 18015 347 1 2 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.161 -0.247 18015 348 1 2 . 1 1 14 14 GLN H H 11 8.415 8.415 8.581 -0.166 18015 349 1 2 . 1 1 15 15 GLN N N 12 119.255 119.255 118.130 1.125 18015 350 1 2 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.082 -0.249 18015 351 1 2 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.323 1.113 18015 352 1 2 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.090 -1.125 18015 353 1 2 . 1 1 15 15 GLN H H 12 7.799 7.799 7.615 0.184 18015 354 1 2 . 1 1 16 16 LEU N N 13 117.041 117.041 121.381 -4.340 18015 355 1 2 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.821 -0.205 18015 356 1 2 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.645 0.248 18015 357 1 2 . 1 1 16 16 LEU CB C 13 41.606 41.606 40.932 0.674 18015 358 1 2 . 1 1 16 16 LEU H H 13 8.299 8.299 8.449 -0.150 18015 359 1 2 . 1 1 17 17 GLN N N 14 118.025 118.025 116.528 1.497 18015 360 1 2 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.211 -0.219 18015 361 1 2 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.193 0.964 18015 362 1 2 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.147 0.360 18015 363 1 2 . 1 1 17 17 GLN H H 14 8.160 8.160 7.956 0.204 18015 364 1 2 . 1 1 18 18 GLU N N 15 119.789 119.789 118.764 1.025 18015 365 1 2 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.364 -0.183 18015 366 1 2 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.393 1.145 18015 367 1 2 . 1 1 18 18 GLU CB C 15 29.450 29.450 30.362 -0.912 18015 368 1 2 . 1 1 18 18 GLU H H 15 7.582 7.582 7.738 -0.156 18015 369 1 2 . 1 1 19 19 LEU N N 16 123.483 123.483 120.725 2.758 18015 370 1 2 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.810 -0.297 18015 371 1 2 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.131 0.439 18015 372 1 2 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.957 -3.091 18015 373 1 2 . 1 1 19 19 LEU H H 16 8.313 8.313 7.306 1.007 18015 374 1 2 . 1 1 20 20 GLU N N 17 119.146 119.146 119.128 0.018 18015 375 1 2 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.183 0.222 18015 376 1 2 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.763 -0.833 18015 377 1 2 . 1 1 20 20 GLU H H 17 8.257 8.257 8.570 -0.313 18015 378 1 2 . 1 1 21 21 ALA N N 18 120.611 120.611 121.795 -1.184 18015 379 1 2 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.158 0.022 18015 380 1 2 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.866 0.318 18015 381 1 2 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.002 0.013 18015 382 1 2 . 1 1 21 21 ALA H H 18 7.954 7.954 8.229 -0.275 18015 383 1 2 . 1 1 22 22 THR N N 19 113.517 113.517 115.861 -2.344 18015 384 1 2 . 1 1 22 22 THR HA H 19 4.103 4.103 4.106 -0.003 18015 385 1 2 . 1 1 22 22 THR CA C 19 66.956 66.956 66.690 0.266 18015 386 1 2 . 1 1 22 22 THR CB C 19 68.338 68.338 68.902 -0.564 18015 387 1 2 . 1 1 22 22 THR H H 19 7.940 7.940 7.879 0.061 18015 388 1 2 . 1 1 23 23 PHE N N 20 125.431 125.431 121.641 3.790 18015 389 1 2 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.594 -0.221 18015 390 1 2 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.579 1.163 18015 391 1 2 . 1 1 23 23 PHE H H 20 8.839 8.839 8.327 0.512 18015 392 1 2 . 1 1 24 24 GLN N N 21 112.304 112.304 115.758 -3.454 18015 393 1 2 . 1 1 24 24 GLN HA H 21 3.806 3.806 3.857 -0.051 18015 394 1 2 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.282 0.123 18015 395 1 2 . 1 1 24 24 GLN CB C 21 28.151 28.151 29.006 -0.856 18015 396 1 2 . 1 1 24 24 GLN H H 21 7.921 7.921 7.893 0.028 18015 397 1 2 . 1 1 25 25 ARG N N 22 116.707 116.707 114.978 1.729 18015 398 1 2 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.448 -0.084 18015 399 1 2 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.128 1.017 18015 400 1 2 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.817 -1.252 18015 401 1 2 . 1 1 25 25 ARG H H 22 7.408 7.408 7.990 -0.582 18015 402 1 2 . 1 1 26 26 ASN N N 23 119.274 119.274 119.315 -0.041 18015 403 1 2 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.807 -0.324 18015 404 1 2 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.926 -0.092 18015 405 1 2 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.156 -1.593 18015 406 1 2 . 1 1 26 26 ASN H H 23 8.251 8.251 8.251 0.000 18015 407 1 2 . 1 1 27 27 ARG N N 24 121.408 121.408 122.853 -1.445 18015 408 1 2 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.417 -0.617 18015 409 1 2 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.072 0.574 18015 410 1 2 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.130 0.873 18015 411 1 2 . 1 1 27 27 ARG H H 24 8.400 8.400 8.443 -0.043 18015 412 1 2 . 1 1 28 28 TYR N N 25 113.992 113.992 118.934 -4.942 18015 413 1 2 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.841 -0.183 18015 414 1 2 . 1 1 28 28 TYR CA C 25 55.691 55.691 53.906 1.785 18015 415 1 2 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.775 1.360 18015 416 1 2 . 1 1 28 28 TYR H H 25 7.734 7.734 8.093 -0.359 18015 417 1 2 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.375 0.036 18015 418 1 2 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.494 0.171 18015 419 1 2 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.272 -1.219 18015 420 1 2 . 1 1 30 30 ASP N N 27 124.189 124.189 125.405 -1.216 18015 421 1 2 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.590 -0.096 18015 422 1 2 . 1 1 30 30 ASP CA C 27 52.530 52.530 54.534 -2.004 18015 423 1 2 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.624 -2.051 18015 424 1 2 . 1 1 30 30 ASP H H 27 8.467 8.467 8.465 0.002 18015 425 1 2 . 1 1 31 31 MET N N 28 119.367 119.367 120.975 -1.608 18015 426 1 2 . 1 1 31 31 MET HA H 28 3.861 3.861 4.159 -0.298 18015 427 1 2 . 1 1 31 31 MET CA C 28 60.361 60.361 58.789 1.572 18015 428 1 2 . 1 1 31 31 MET CB C 28 32.022 32.022 31.593 0.429 18015 429 1 2 . 1 1 31 31 MET H H 28 8.687 8.687 8.488 0.199 18015 430 1 2 . 1 1 32 32 SER N N 29 113.279 113.279 111.678 1.601 18015 431 1 2 . 1 1 32 32 SER HA H 29 4.245 4.245 4.375 -0.130 18015 432 1 2 . 1 1 32 32 SER CA C 29 61.815 61.815 60.154 1.661 18015 433 1 2 . 1 1 32 32 SER CB C 29 62.447 62.447 62.933 -0.486 18015 434 1 2 . 1 1 32 32 SER H H 29 8.387 8.387 8.354 0.033 18015 435 1 2 . 1 1 33 33 THR N N 30 120.829 120.829 118.657 2.172 18015 436 1 2 . 1 1 33 33 THR HA H 30 4.004 4.004 4.591 -0.587 18015 437 1 2 . 1 1 33 33 THR CA C 30 66.957 66.957 64.737 2.220 18015 438 1 2 . 1 1 33 33 THR CB C 30 67.626 67.626 69.840 -2.213 18015 439 1 2 . 1 1 33 33 THR H H 30 8.406 8.406 7.672 0.734 18015 440 1 2 . 1 1 34 34 ARG N N 31 120.944 120.944 121.720 -0.776 18015 441 1 2 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.928 -0.058 18015 442 1 2 . 1 1 34 34 ARG CA C 31 61.158 61.158 60.205 0.953 18015 443 1 2 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.147 2.308 18015 444 1 2 . 1 1 34 34 ARG H H 31 8.955 8.955 8.756 0.199 18015 445 1 2 . 1 1 35 35 GLU N N 32 118.711 118.711 118.939 -0.228 18015 446 1 2 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.012 -0.019 18015 447 1 2 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.316 0.515 18015 448 1 2 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.738 0.495 18015 449 1 2 . 1 1 35 35 GLU H H 32 8.608 8.608 7.844 0.764 18015 450 1 2 . 1 1 36 36 GLU N N 33 121.133 121.133 120.290 0.843 18015 451 1 2 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.631 0.366 18015 452 1 2 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.727 0.965 18015 453 1 2 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.323 0.028 18015 454 1 2 . 1 1 36 36 GLU H H 33 7.639 7.639 7.329 0.310 18015 455 1 2 . 1 1 37 37 ILE N N 34 119.761 119.761 119.887 -0.126 18015 456 1 2 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.683 -0.052 18015 457 1 2 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.452 -0.724 18015 458 1 2 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.751 0.780 18015 459 1 2 . 1 1 37 37 ILE H H 34 8.415 8.415 7.986 0.429 18015 460 1 2 . 1 1 38 38 ALA N N 35 124.272 124.272 122.664 1.608 18015 461 1 2 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.146 -0.465 18015 462 1 2 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.699 1.010 18015 463 1 2 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.310 -1.359 18015 464 1 2 . 1 1 38 38 ALA H H 35 8.551 8.551 7.936 0.615 18015 465 1 2 . 1 1 39 39 VAL N N 36 118.330 118.330 118.979 -0.649 18015 466 1 2 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.452 0.366 18015 467 1 2 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.421 0.062 18015 468 1 2 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.267 0.318 18015 469 1 2 . 1 1 39 39 VAL H H 36 7.791 7.791 7.228 0.563 18015 470 1 2 . 1 1 40 40 TRP N N 37 120.237 120.237 120.167 0.070 18015 471 1 2 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.391 0.240 18015 472 1 2 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.996 0.104 18015 473 1 2 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.548 0.267 18015 474 1 2 . 1 1 40 40 TRP H H 37 8.109 8.109 7.370 0.739 18015 475 1 2 . 1 1 41 41 THR N N 38 104.809 104.809 107.340 -2.531 18015 476 1 2 . 1 1 41 41 THR HA H 38 4.374 4.374 4.493 -0.119 18015 477 1 2 . 1 1 41 41 THR CA C 38 61.723 61.723 60.835 0.888 18015 478 1 2 . 1 1 41 41 THR CB C 38 71.088 71.088 69.943 1.145 18015 479 1 2 . 1 1 41 41 THR H H 38 8.011 8.011 7.552 0.459 18015 480 1 2 . 1 1 42 42 ASN N N 39 118.978 118.978 119.119 -0.141 18015 481 1 2 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.364 0.170 18015 482 1 2 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.257 0.651 18015 483 1 2 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.914 -0.629 18015 484 1 2 . 1 1 42 42 ASN H H 39 7.925 7.925 7.828 0.097 18015 485 1 2 . 1 1 43 43 LEU N N 40 120.124 120.124 119.191 0.933 18015 486 1 2 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.765 0.280 18015 487 1 2 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.350 -1.282 18015 488 1 2 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.656 3.455 18015 489 1 2 . 1 1 43 43 LEU H H 40 8.635 8.635 8.261 0.374 18015 490 1 2 . 1 1 44 44 THR N N 41 106.690 106.690 109.559 -2.869 18015 491 1 2 . 1 1 44 44 THR HA H 41 4.715 4.715 4.581 0.134 18015 492 1 2 . 1 1 44 44 THR CA C 41 59.511 59.511 59.565 -0.054 18015 493 1 2 . 1 1 44 44 THR CB C 41 71.419 71.419 70.783 0.636 18015 494 1 2 . 1 1 44 44 THR H H 41 7.081 7.081 7.932 -0.851 18015 495 1 2 . 1 1 45 45 GLU N N 42 124.087 124.087 122.431 1.656 18015 496 1 2 . 1 1 45 45 GLU HA H 42 3.630 3.630 4.066 -0.436 18015 497 1 2 . 1 1 45 45 GLU CA C 42 61.533 61.533 59.263 2.270 18015 498 1 2 . 1 1 45 45 GLU CB C 42 28.416 28.416 28.335 0.081 18015 499 1 2 . 1 1 45 45 GLU H H 42 9.452 9.452 8.861 0.591 18015 500 1 2 . 1 1 46 46 ALA N N 43 119.687 119.687 122.575 -2.888 18015 501 1 2 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.144 -0.134 18015 502 1 2 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.048 0.570 18015 503 1 2 . 1 1 46 46 ALA CB C 43 18.599 18.599 17.975 0.624 18015 504 1 2 . 1 1 46 46 ALA H H 43 8.467 8.467 8.526 -0.059 18015 505 1 2 . 1 1 47 47 ARG N N 44 116.856 116.856 117.805 -0.949 18015 506 1 2 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.299 0.014 18015 507 1 2 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.888 1.146 18015 508 1 2 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.683 1.802 18015 509 1 2 . 1 1 47 47 ARG H H 44 7.657 7.657 7.876 -0.219 18015 510 1 2 . 1 1 48 48 VAL N N 45 120.046 120.046 121.300 -1.254 18015 511 1 2 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.801 -0.037 18015 512 1 2 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.850 0.458 18015 513 1 2 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.343 1.192 18015 514 1 2 . 1 1 48 48 VAL H H 45 8.008 8.008 7.596 0.412 18015 515 1 2 . 1 1 49 49 ARG N N 46 121.544 121.544 120.447 1.097 18015 516 1 2 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.026 -0.092 18015 517 1 2 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.100 0.508 18015 518 1 2 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.246 0.323 18015 519 1 2 . 1 1 49 49 ARG H H 46 9.432 9.432 8.434 0.998 18015 520 1 2 . 1 1 50 50 VAL N N 47 120.747 120.747 119.309 1.438 18015 521 1 2 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.767 -0.125 18015 522 1 2 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.207 -0.119 18015 523 1 2 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.312 1.155 18015 524 1 2 . 1 1 50 50 VAL H H 47 8.103 8.103 8.472 -0.369 18015 525 1 2 . 1 1 51 51 TRP N N 48 122.857 122.857 122.024 0.833 18015 526 1 2 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.214 0.669 18015 527 1 2 . 1 1 51 51 TRP H H 48 8.430 8.430 8.235 0.195 18015 528 1 2 . 1 1 52 52 PHE N N 49 118.314 118.314 118.602 -0.288 18015 529 1 2 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.017 -0.302 18015 530 1 2 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.599 1.009 18015 531 1 2 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.280 0.176 18015 532 1 2 . 1 1 52 52 PHE H H 49 9.045 9.045 8.772 0.273 18015 533 1 2 . 1 1 53 53 LYS N N 50 121.307 121.307 118.748 2.559 18015 534 1 2 . 1 1 53 53 LYS HA H 50 3.942 3.942 4.010 -0.068 18015 535 1 2 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.710 0.957 18015 536 1 2 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.015 1.198 18015 537 1 2 . 1 1 53 53 LYS H H 50 7.915 7.915 8.599 -0.684 18015 538 1 2 . 1 1 54 54 ASN N N 51 119.377 119.377 119.366 0.011 18015 539 1 2 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.509 -0.003 18015 540 1 2 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.961 0.207 18015 541 1 2 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.177 0.056 18015 542 1 2 . 1 1 54 54 ASN H H 51 8.669 8.669 8.312 0.357 18015 543 1 2 . 1 1 55 55 ARG N N 52 125.530 125.530 121.056 4.474 18015 544 1 2 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.728 -0.046 18015 545 1 2 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.104 -1.529 18015 546 1 2 . 1 1 55 55 ARG H H 52 8.851 8.851 8.076 0.775 18015 547 1 2 . 1 1 56 56 ARG N N 53 120.194 120.194 119.300 0.894 18015 548 1 2 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.395 -0.096 18015 549 1 2 . 1 1 56 56 ARG CA C 53 61.263 61.263 57.804 3.459 18015 550 1 2 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.587 1.892 18015 551 1 2 . 1 1 56 56 ARG H H 53 8.620 8.620 7.690 0.930 18015 552 1 2 . 1 1 57 57 ALA N N 54 121.998 121.998 123.440 -1.442 18015 553 1 2 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.030 0.310 18015 554 1 2 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.239 0.396 18015 555 1 2 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.075 -0.585 18015 556 1 2 . 1 1 57 57 ALA H H 54 7.386 7.386 8.442 -1.056 18015 557 1 2 . 1 1 58 58 LYS N N 55 120.111 120.111 118.800 1.311 18015 558 1 2 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.960 0.106 18015 559 1 2 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.598 0.026 18015 560 1 2 . 1 1 58 58 LYS H H 55 7.716 7.716 8.171 -0.455 18015 561 1 2 . 1 1 59 59 TRP N N 56 121.249 121.249 120.512 0.737 18015 562 1 2 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.300 0.271 18015 563 1 2 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.759 -0.336 18015 564 1 2 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.147 0.504 18015 565 1 2 . 1 1 59 59 TRP H H 56 8.362 8.362 7.573 0.789 18015 566 1 2 . 1 1 60 60 ARG N N 57 117.543 117.543 118.080 -0.537 18015 567 1 2 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.718 0.160 18015 568 1 2 . 1 1 60 60 ARG CA C 57 59.707 59.707 57.617 2.090 18015 569 1 2 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.172 2.120 18015 570 1 2 . 1 1 60 60 ARG H H 57 8.464 8.464 7.841 0.623 18015 571 1 2 . 1 1 61 61 LYS N N 58 118.252 118.252 119.801 -1.549 18015 572 1 2 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.091 0.117 18015 573 1 2 . 1 1 61 61 LYS CA C 58 58.299 58.299 59.004 -0.705 18015 574 1 2 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.523 0.610 18015 575 1 2 . 1 1 61 61 LYS H H 58 7.770 7.770 8.367 -0.597 18015 576 1 2 . 1 1 62 62 ARG N N 59 116.854 116.854 118.110 -1.256 18015 577 1 2 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.284 0.119 18015 578 1 2 . 1 1 62 62 ARG CA C 59 56.217 56.217 58.270 -2.053 18015 579 1 2 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.186 0.015 18015 580 1 2 . 1 1 62 62 ARG H H 59 7.978 7.978 8.201 -0.223 18015 581 1 2 . 1 1 63 63 GLU N N 60 119.450 119.450 115.777 3.673 18015 582 1 2 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.446 -0.463 18015 583 1 2 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.064 0.859 18015 584 1 2 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.812 -0.811 18015 585 1 2 . 1 1 63 63 GLU H H 60 8.078 8.078 7.913 0.165 18015 586 1 2 . 1 1 64 64 GLU N N 61 120.134 120.134 119.053 1.081 18015 587 1 2 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.896 -0.122 18015 588 1 2 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.289 -1.839 18015 589 1 2 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.125 0.772 18015 590 1 2 . 1 1 64 64 GLU H H 61 7.889 7.889 8.248 -0.359 18015 591 1 2 . 1 1 65 65 PHE N N 62 118.794 118.794 110.707 8.087 18015 592 1 2 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.562 0.016 18015 593 1 2 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.168 -0.207 18015 594 1 2 . 1 1 65 65 PHE CB C 62 39.297 39.297 40.932 -1.635 18015 595 1 2 . 1 1 65 65 PHE H H 62 7.731 7.731 7.703 0.028 18015 596 1 2 . 1 1 66 66 ILE N N 63 123.529 123.529 123.616 -0.087 18015 597 1 2 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.047 0.083 18015 598 1 2 . 1 1 66 66 ILE CA C 63 60.934 60.934 62.118 -1.184 18015 599 1 2 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.275 0.268 18015 600 1 2 . 1 1 66 66 ILE H H 63 7.802 7.802 6.961 0.841 18015 601 1 2 . 1 1 67 67 VAL N N 64 125.799 125.799 125.534 0.265 18015 602 1 2 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.338 -0.141 18015 603 1 2 . 1 1 67 67 VAL CA C 64 62.225 62.225 60.431 1.794 18015 604 1 2 . 1 1 67 67 VAL CB C 64 32.811 32.811 35.128 -2.317 18015 605 1 2 . 1 1 67 67 VAL H H 64 8.292 8.292 8.061 0.231 18015 606 1 2 . 1 1 68 68 THR N N 65 118.825 118.825 120.367 -1.542 18015 607 1 2 . 1 1 68 68 THR HA H 65 4.440 4.440 4.704 -0.264 18015 608 1 2 . 1 1 68 68 THR CA C 65 61.236 61.236 61.673 -0.438 18015 609 1 2 . 1 1 68 68 THR CB C 65 70.114 70.114 69.154 0.960 18015 610 1 2 . 1 1 68 68 THR H H 65 8.353 8.353 8.138 0.215 18015 611 1 3 . 1 1 5 5 ARG N N 2 123.855 123.855 120.484 3.371 18015 612 1 3 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.776 -0.301 18015 613 1 3 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.349 0.555 18015 614 1 3 . 1 1 5 5 ARG H H 2 8.472 8.472 8.000 0.472 18015 615 1 3 . 1 1 6 6 ARG N N 3 125.147 125.147 120.716 4.431 18015 616 1 3 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.695 -0.411 18015 617 1 3 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.335 1.050 18015 618 1 3 . 1 1 6 6 ARG H H 3 9.078 9.078 8.372 0.706 18015 619 1 3 . 1 1 7 7 GLN N N 4 122.134 122.134 119.741 2.393 18015 620 1 3 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.814 -0.513 18015 621 1 3 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.021 0.550 18015 622 1 3 . 1 1 7 7 GLN CB C 4 29.550 29.550 32.134 -2.584 18015 623 1 3 . 1 1 7 7 GLN H H 4 8.475 8.475 8.539 -0.064 18015 624 1 3 . 1 1 8 8 ARG N N 5 124.132 124.132 119.967 4.165 18015 625 1 3 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.798 -0.513 18015 626 1 3 . 1 1 8 8 ARG H H 5 8.631 8.631 8.584 0.047 18015 627 1 3 . 1 1 9 9 THR N N 6 125.523 125.523 115.823 9.700 18015 628 1 3 . 1 1 9 9 THR HA H 6 3.831 3.831 4.120 -0.289 18015 629 1 3 . 1 1 9 9 THR CA C 6 64.978 64.978 62.594 2.384 18015 630 1 3 . 1 1 9 9 THR CB C 6 69.109 69.109 69.241 -0.132 18015 631 1 3 . 1 1 9 9 THR H H 6 8.036 8.036 8.024 0.012 18015 632 1 3 . 1 1 10 10 HIS N N 7 125.571 125.571 122.404 3.167 18015 633 1 3 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.665 0.096 18015 634 1 3 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.723 -0.954 18015 635 1 3 . 1 1 10 10 HIS H H 7 8.690 8.690 8.100 0.590 18015 636 1 3 . 1 1 11 11 PHE N N 8 126.330 126.330 121.615 4.715 18015 637 1 3 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.623 0.211 18015 638 1 3 . 1 1 11 11 PHE CB C 8 40.533 40.533 38.497 2.036 18015 639 1 3 . 1 1 11 11 PHE H H 8 8.703 8.703 7.990 0.713 18015 640 1 3 . 1 1 12 12 THR N N 9 113.642 113.642 116.096 -2.454 18015 641 1 3 . 1 1 12 12 THR HA H 9 4.542 4.542 4.512 0.030 18015 642 1 3 . 1 1 12 12 THR CA C 9 60.379 60.379 60.705 -0.326 18015 643 1 3 . 1 1 12 12 THR H H 9 9.165 9.165 7.991 1.174 18015 644 1 3 . 1 1 13 13 SER N N 10 116.602 116.602 117.458 -0.856 18015 645 1 3 . 1 1 13 13 SER HA H 10 4.187 4.187 4.184 0.003 18015 646 1 3 . 1 1 13 13 SER CA C 10 61.887 61.887 61.181 0.706 18015 647 1 3 . 1 1 13 13 SER CB C 10 62.286 62.286 62.927 -0.641 18015 648 1 3 . 1 1 13 13 SER H H 10 9.188 9.188 8.824 0.364 18015 649 1 3 . 1 1 14 14 GLN N N 11 120.969 120.969 121.119 -0.150 18015 650 1 3 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.122 -0.069 18015 651 1 3 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.257 1.321 18015 652 1 3 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.503 -0.589 18015 653 1 3 . 1 1 14 14 GLN H H 11 8.415 8.415 7.657 0.758 18015 654 1 3 . 1 1 15 15 GLN N N 12 119.255 119.255 117.935 1.320 18015 655 1 3 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.125 -0.292 18015 656 1 3 . 1 1 15 15 GLN CA C 12 59.436 59.436 57.553 1.883 18015 657 1 3 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.012 -1.047 18015 658 1 3 . 1 1 15 15 GLN H H 12 7.799 7.799 7.465 0.334 18015 659 1 3 . 1 1 16 16 LEU N N 13 117.041 117.041 120.280 -3.239 18015 660 1 3 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.755 -0.139 18015 661 1 3 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.810 0.083 18015 662 1 3 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.533 0.073 18015 663 1 3 . 1 1 16 16 LEU H H 13 8.299 8.299 8.751 -0.452 18015 664 1 3 . 1 1 17 17 GLN N N 14 118.025 118.025 116.901 1.124 18015 665 1 3 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.017 -0.025 18015 666 1 3 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.419 0.738 18015 667 1 3 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.084 0.423 18015 668 1 3 . 1 1 17 17 GLN H H 14 8.160 8.160 7.761 0.399 18015 669 1 3 . 1 1 18 18 GLU N N 15 119.789 119.789 121.631 -1.842 18015 670 1 3 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.165 0.016 18015 671 1 3 . 1 1 18 18 GLU CA C 15 58.538 58.538 58.405 0.133 18015 672 1 3 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.370 0.080 18015 673 1 3 . 1 1 18 18 GLU H H 15 7.582 7.582 7.637 -0.055 18015 674 1 3 . 1 1 19 19 LEU N N 16 123.483 123.483 120.036 3.447 18015 675 1 3 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.840 -0.327 18015 676 1 3 . 1 1 19 19 LEU CA C 16 58.570 58.570 57.925 0.645 18015 677 1 3 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.103 -3.237 18015 678 1 3 . 1 1 19 19 LEU H H 16 8.313 8.313 7.437 0.876 18015 679 1 3 . 1 1 20 20 GLU N N 17 119.146 119.146 118.297 0.849 18015 680 1 3 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.102 0.303 18015 681 1 3 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.625 -0.695 18015 682 1 3 . 1 1 20 20 GLU H H 17 8.257 8.257 8.677 -0.420 18015 683 1 3 . 1 1 21 21 ALA N N 18 120.611 120.611 121.980 -1.369 18015 684 1 3 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.185 -0.005 18015 685 1 3 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.822 0.362 18015 686 1 3 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.146 -0.132 18015 687 1 3 . 1 1 21 21 ALA H H 18 7.954 7.954 7.770 0.184 18015 688 1 3 . 1 1 22 22 THR N N 19 113.517 113.517 115.688 -2.171 18015 689 1 3 . 1 1 22 22 THR HA H 19 4.103 4.103 4.085 0.018 18015 690 1 3 . 1 1 22 22 THR CA C 19 66.956 66.956 66.469 0.487 18015 691 1 3 . 1 1 22 22 THR CB C 19 68.338 68.338 69.076 -0.738 18015 692 1 3 . 1 1 22 22 THR H H 19 7.940 7.940 7.484 0.456 18015 693 1 3 . 1 1 23 23 PHE N N 20 125.431 125.431 121.855 3.576 18015 694 1 3 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.792 -0.419 18015 695 1 3 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.876 0.866 18015 696 1 3 . 1 1 23 23 PHE H H 20 8.839 8.839 8.424 0.415 18015 697 1 3 . 1 1 24 24 GLN N N 21 112.304 112.304 115.945 -3.641 18015 698 1 3 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.265 -0.459 18015 699 1 3 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.516 -0.110 18015 700 1 3 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.933 -0.782 18015 701 1 3 . 1 1 24 24 GLN H H 21 7.921 7.921 8.281 -0.360 18015 702 1 3 . 1 1 25 25 ARG N N 22 116.707 116.707 116.204 0.503 18015 703 1 3 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.492 -0.128 18015 704 1 3 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.280 0.865 18015 705 1 3 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.491 -0.926 18015 706 1 3 . 1 1 25 25 ARG H H 22 7.408 7.408 7.891 -0.483 18015 707 1 3 . 1 1 26 26 ASN N N 23 119.274 119.274 118.896 0.378 18015 708 1 3 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.823 -0.340 18015 709 1 3 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.705 0.130 18015 710 1 3 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.936 -1.373 18015 711 1 3 . 1 1 26 26 ASN H H 23 8.251 8.251 8.328 -0.077 18015 712 1 3 . 1 1 27 27 ARG N N 24 121.408 121.408 122.094 -0.686 18015 713 1 3 . 1 1 27 27 ARG HA H 24 3.800 3.800 3.632 0.168 18015 714 1 3 . 1 1 27 27 ARG CA C 24 57.646 57.646 56.952 0.694 18015 715 1 3 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.832 1.171 18015 716 1 3 . 1 1 27 27 ARG H H 24 8.400 8.400 8.550 -0.150 18015 717 1 3 . 1 1 28 28 TYR N N 25 113.992 113.992 118.084 -4.092 18015 718 1 3 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.769 -0.111 18015 719 1 3 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.081 0.611 18015 720 1 3 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.758 1.377 18015 721 1 3 . 1 1 28 28 TYR H H 25 7.734 7.734 7.972 -0.238 18015 722 1 3 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.285 0.126 18015 723 1 3 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.578 0.087 18015 724 1 3 . 1 1 29 29 PRO CB C 26 31.053 31.053 31.817 -0.764 18015 725 1 3 . 1 1 30 30 ASP N N 27 124.189 124.189 123.298 0.891 18015 726 1 3 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.555 -0.061 18015 727 1 3 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.448 -0.918 18015 728 1 3 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.791 -2.218 18015 729 1 3 . 1 1 30 30 ASP H H 27 8.467 8.467 8.387 0.080 18015 730 1 3 . 1 1 31 31 MET N N 28 119.367 119.367 117.010 2.357 18015 731 1 3 . 1 1 31 31 MET HA H 28 3.861 3.861 4.069 -0.208 18015 732 1 3 . 1 1 31 31 MET CA C 28 60.361 60.361 58.516 1.845 18015 733 1 3 . 1 1 31 31 MET CB C 28 32.022 32.022 32.255 -0.233 18015 734 1 3 . 1 1 31 31 MET H H 28 8.687 8.687 8.465 0.222 18015 735 1 3 . 1 1 32 32 SER N N 29 113.279 113.279 113.968 -0.689 18015 736 1 3 . 1 1 32 32 SER HA H 29 4.245 4.245 4.496 -0.251 18015 737 1 3 . 1 1 32 32 SER CA C 29 61.815 61.815 60.320 1.495 18015 738 1 3 . 1 1 32 32 SER CB C 29 62.447 62.447 63.297 -0.850 18015 739 1 3 . 1 1 32 32 SER H H 29 8.387 8.387 8.613 -0.226 18015 740 1 3 . 1 1 33 33 THR N N 30 120.829 120.829 119.729 1.100 18015 741 1 3 . 1 1 33 33 THR HA H 30 4.004 4.004 4.324 -0.320 18015 742 1 3 . 1 1 33 33 THR CA C 30 66.957 66.957 65.830 1.127 18015 743 1 3 . 1 1 33 33 THR CB C 30 67.626 67.626 68.825 -1.199 18015 744 1 3 . 1 1 33 33 THR H H 30 8.406 8.406 7.785 0.621 18015 745 1 3 . 1 1 34 34 ARG N N 31 120.944 120.944 120.872 0.072 18015 746 1 3 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.951 -0.081 18015 747 1 3 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.873 1.285 18015 748 1 3 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.136 2.319 18015 749 1 3 . 1 1 34 34 ARG H H 31 8.955 8.955 8.668 0.287 18015 750 1 3 . 1 1 35 35 GLU N N 32 118.711 118.711 118.858 -0.147 18015 751 1 3 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.000 -0.007 18015 752 1 3 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.030 0.801 18015 753 1 3 . 1 1 35 35 GLU CB C 32 29.233 29.233 29.030 0.203 18015 754 1 3 . 1 1 35 35 GLU H H 32 8.608 8.608 8.009 0.599 18015 755 1 3 . 1 1 36 36 GLU N N 33 121.133 121.133 120.478 0.655 18015 756 1 3 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.586 0.411 18015 757 1 3 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.623 1.069 18015 758 1 3 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.299 0.053 18015 759 1 3 . 1 1 36 36 GLU H H 33 7.639 7.639 7.288 0.351 18015 760 1 3 . 1 1 37 37 ILE N N 34 119.761 119.761 119.661 0.100 18015 761 1 3 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.575 0.056 18015 762 1 3 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.466 -0.738 18015 763 1 3 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.678 0.853 18015 764 1 3 . 1 1 37 37 ILE H H 34 8.415 8.415 8.083 0.332 18015 765 1 3 . 1 1 38 38 ALA N N 35 124.272 124.272 121.159 3.113 18015 766 1 3 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.233 -0.552 18015 767 1 3 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.339 1.370 18015 768 1 3 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.478 -1.527 18015 769 1 3 . 1 1 38 38 ALA H H 35 8.551 8.551 7.642 0.909 18015 770 1 3 . 1 1 39 39 VAL N N 36 118.330 118.330 118.586 -0.256 18015 771 1 3 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.748 0.070 18015 772 1 3 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.036 0.448 18015 773 1 3 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.394 0.191 18015 774 1 3 . 1 1 39 39 VAL H H 36 7.791 7.791 7.218 0.573 18015 775 1 3 . 1 1 40 40 TRP N N 37 120.237 120.237 120.567 -0.330 18015 776 1 3 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.407 0.224 18015 777 1 3 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.437 0.663 18015 778 1 3 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.565 0.250 18015 779 1 3 . 1 1 40 40 TRP H H 37 8.109 8.109 7.774 0.335 18015 780 1 3 . 1 1 41 41 THR N N 38 104.809 104.809 107.461 -2.652 18015 781 1 3 . 1 1 41 41 THR HA H 38 4.374 4.374 4.332 0.042 18015 782 1 3 . 1 1 41 41 THR CA C 38 61.723 61.723 62.217 -0.494 18015 783 1 3 . 1 1 41 41 THR CB C 38 71.088 71.088 69.385 1.703 18015 784 1 3 . 1 1 41 41 THR H H 38 8.011 8.011 8.075 -0.064 18015 785 1 3 . 1 1 42 42 ASN N N 39 118.978 118.978 118.434 0.544 18015 786 1 3 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.418 0.116 18015 787 1 3 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.545 0.362 18015 788 1 3 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.012 0.273 18015 789 1 3 . 1 1 42 42 ASN H H 39 7.925 7.925 8.075 -0.150 18015 790 1 3 . 1 1 43 43 LEU N N 40 120.124 120.124 117.459 2.665 18015 791 1 3 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.620 0.425 18015 792 1 3 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.398 -1.331 18015 793 1 3 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.928 3.183 18015 794 1 3 . 1 1 43 43 LEU H H 40 8.635 8.635 7.730 0.905 18015 795 1 3 . 1 1 44 44 THR N N 41 106.690 106.690 108.136 -1.446 18015 796 1 3 . 1 1 44 44 THR HA H 41 4.715 4.715 4.626 0.089 18015 797 1 3 . 1 1 44 44 THR CA C 41 59.511 59.511 59.873 -0.362 18015 798 1 3 . 1 1 44 44 THR CB C 41 71.419 71.419 71.172 0.247 18015 799 1 3 . 1 1 44 44 THR H H 41 7.081 7.081 7.967 -0.886 18015 800 1 3 . 1 1 45 45 GLU N N 42 124.087 124.087 123.825 0.262 18015 801 1 3 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.923 -0.293 18015 802 1 3 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.154 1.379 18015 803 1 3 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.555 -1.139 18015 804 1 3 . 1 1 45 45 GLU H H 42 9.452 9.452 8.960 0.492 18015 805 1 3 . 1 1 46 46 ALA N N 43 119.687 119.687 120.506 -0.819 18015 806 1 3 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.254 -0.244 18015 807 1 3 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.760 0.859 18015 808 1 3 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.166 0.433 18015 809 1 3 . 1 1 46 46 ALA H H 43 8.467 8.467 8.564 -0.097 18015 810 1 3 . 1 1 47 47 ARG N N 44 116.856 116.856 118.955 -2.099 18015 811 1 3 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.243 0.070 18015 812 1 3 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.022 1.012 18015 813 1 3 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.529 1.956 18015 814 1 3 . 1 1 47 47 ARG H H 44 7.657 7.657 7.921 -0.264 18015 815 1 3 . 1 1 48 48 VAL N N 45 120.046 120.046 120.665 -0.619 18015 816 1 3 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.775 -0.011 18015 817 1 3 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.493 0.815 18015 818 1 3 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.319 1.216 18015 819 1 3 . 1 1 48 48 VAL H H 45 8.008 8.008 7.770 0.238 18015 820 1 3 . 1 1 49 49 ARG N N 46 121.544 121.544 120.872 0.672 18015 821 1 3 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.077 -0.143 18015 822 1 3 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.126 0.482 18015 823 1 3 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.500 0.069 18015 824 1 3 . 1 1 49 49 ARG H H 46 9.432 9.432 8.292 1.140 18015 825 1 3 . 1 1 50 50 VAL N N 47 120.747 120.747 116.254 4.493 18015 826 1 3 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.998 -0.356 18015 827 1 3 . 1 1 50 50 VAL CA C 47 67.087 67.087 65.390 1.697 18015 828 1 3 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.261 1.206 18015 829 1 3 . 1 1 50 50 VAL H H 47 8.103 8.103 8.298 -0.195 18015 830 1 3 . 1 1 51 51 TRP N N 48 122.857 122.857 123.410 -0.553 18015 831 1 3 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.175 0.708 18015 832 1 3 . 1 1 51 51 TRP H H 48 8.430 8.430 7.927 0.503 18015 833 1 3 . 1 1 52 52 PHE N N 49 118.314 118.314 118.308 0.006 18015 834 1 3 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.117 -0.402 18015 835 1 3 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.795 0.813 18015 836 1 3 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.341 0.115 18015 837 1 3 . 1 1 52 52 PHE H H 49 9.045 9.045 8.858 0.187 18015 838 1 3 . 1 1 53 53 LYS N N 50 121.307 121.307 119.625 1.682 18015 839 1 3 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.931 0.011 18015 840 1 3 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.418 0.249 18015 841 1 3 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.045 1.168 18015 842 1 3 . 1 1 53 53 LYS H H 50 7.915 7.915 8.700 -0.785 18015 843 1 3 . 1 1 54 54 ASN N N 51 119.377 119.377 118.693 0.684 18015 844 1 3 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.541 -0.035 18015 845 1 3 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.593 0.575 18015 846 1 3 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.125 0.108 18015 847 1 3 . 1 1 54 54 ASN H H 51 8.669 8.669 7.851 0.818 18015 848 1 3 . 1 1 55 55 ARG N N 52 125.530 125.530 121.365 4.165 18015 849 1 3 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.626 0.056 18015 850 1 3 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.246 -1.671 18015 851 1 3 . 1 1 55 55 ARG H H 52 8.851 8.851 8.066 0.785 18015 852 1 3 . 1 1 56 56 ARG N N 53 120.194 120.194 118.977 1.217 18015 853 1 3 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.253 0.046 18015 854 1 3 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.045 2.218 18015 855 1 3 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.471 1.008 18015 856 1 3 . 1 1 56 56 ARG H H 53 8.620 8.620 8.047 0.573 18015 857 1 3 . 1 1 57 57 ALA N N 54 121.998 121.998 121.688 0.310 18015 858 1 3 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.286 0.054 18015 859 1 3 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.277 1.358 18015 860 1 3 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.176 -0.686 18015 861 1 3 . 1 1 57 57 ALA H H 54 7.386 7.386 8.492 -1.106 18015 862 1 3 . 1 1 58 58 LYS N N 55 120.111 120.111 120.338 -0.227 18015 863 1 3 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.000 0.066 18015 864 1 3 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.465 0.159 18015 865 1 3 . 1 1 58 58 LYS H H 55 7.716 7.716 7.813 -0.097 18015 866 1 3 . 1 1 59 59 TRP N N 56 121.249 121.249 119.639 1.610 18015 867 1 3 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.371 0.200 18015 868 1 3 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.350 0.073 18015 869 1 3 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.118 0.533 18015 870 1 3 . 1 1 59 59 TRP H H 56 8.362 8.362 7.777 0.585 18015 871 1 3 . 1 1 60 60 ARG N N 57 117.543 117.543 116.773 0.770 18015 872 1 3 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.207 -0.329 18015 873 1 3 . 1 1 60 60 ARG CA C 57 59.707 59.707 56.991 2.716 18015 874 1 3 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.928 1.364 18015 875 1 3 . 1 1 60 60 ARG H H 57 8.464 8.464 7.677 0.787 18015 876 1 3 . 1 1 61 61 LYS N N 58 118.252 118.252 119.321 -1.069 18015 877 1 3 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.240 -0.032 18015 878 1 3 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.387 -0.088 18015 879 1 3 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.894 0.238 18015 880 1 3 . 1 1 61 61 LYS H H 58 7.770 7.770 8.312 -0.542 18015 881 1 3 . 1 1 62 62 ARG N N 59 116.854 116.854 117.910 -1.056 18015 882 1 3 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.352 0.051 18015 883 1 3 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.524 -1.307 18015 884 1 3 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.526 -0.325 18015 885 1 3 . 1 1 62 62 ARG H H 59 7.978 7.978 8.362 -0.384 18015 886 1 3 . 1 1 63 63 GLU N N 60 119.450 119.450 117.322 2.128 18015 887 1 3 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.391 -0.408 18015 888 1 3 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.979 0.944 18015 889 1 3 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.919 -0.918 18015 890 1 3 . 1 1 63 63 GLU H H 60 8.078 8.078 7.894 0.184 18015 891 1 3 . 1 1 64 64 GLU N N 61 120.134 120.134 118.739 1.395 18015 892 1 3 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.939 -0.165 18015 893 1 3 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.265 -1.815 18015 894 1 3 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.180 0.717 18015 895 1 3 . 1 1 64 64 GLU H H 61 7.889 7.889 8.205 -0.316 18015 896 1 3 . 1 1 65 65 PHE N N 62 118.794 118.794 109.815 8.979 18015 897 1 3 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.290 0.288 18015 898 1 3 . 1 1 65 65 PHE CA C 62 56.961 56.961 56.494 0.467 18015 899 1 3 . 1 1 65 65 PHE CB C 62 39.297 39.297 40.234 -0.937 18015 900 1 3 . 1 1 65 65 PHE H H 62 7.731 7.731 7.447 0.284 18015 901 1 3 . 1 1 66 66 ILE N N 63 123.529 123.529 124.362 -0.833 18015 902 1 3 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.374 -0.244 18015 903 1 3 . 1 1 66 66 ILE CA C 63 60.934 60.934 62.787 -1.853 18015 904 1 3 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.146 0.397 18015 905 1 3 . 1 1 66 66 ILE H H 63 7.802 7.802 7.607 0.195 18015 906 1 3 . 1 1 67 67 VAL N N 64 125.799 125.799 125.734 0.065 18015 907 1 3 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.356 -0.159 18015 908 1 3 . 1 1 67 67 VAL CA C 64 62.225 62.225 60.805 1.420 18015 909 1 3 . 1 1 67 67 VAL CB C 64 32.811 32.811 35.395 -2.584 18015 910 1 3 . 1 1 67 67 VAL H H 64 8.292 8.292 8.312 -0.020 18015 911 1 3 . 1 1 68 68 THR N N 65 118.825 118.825 116.892 1.933 18015 912 1 3 . 1 1 68 68 THR HA H 65 4.440 4.440 4.453 -0.013 18015 913 1 3 . 1 1 68 68 THR CA C 65 61.236 61.236 62.817 -1.581 18015 914 1 3 . 1 1 68 68 THR CB C 65 70.114 70.114 69.157 0.957 18015 915 1 3 . 1 1 68 68 THR H H 65 8.353 8.353 8.193 0.160 18015 916 1 4 . 1 1 5 5 ARG N N 2 123.855 123.855 120.123 3.732 18015 917 1 4 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.771 -0.296 18015 918 1 4 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.088 0.816 18015 919 1 4 . 1 1 5 5 ARG H H 2 8.472 8.472 7.904 0.568 18015 920 1 4 . 1 1 6 6 ARG N N 3 125.147 125.147 122.381 2.766 18015 921 1 4 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.637 -0.353 18015 922 1 4 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.506 0.879 18015 923 1 4 . 1 1 6 6 ARG H H 3 9.078 9.078 8.506 0.572 18015 924 1 4 . 1 1 7 7 GLN N N 4 122.134 122.134 121.706 0.428 18015 925 1 4 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.107 0.194 18015 926 1 4 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.810 -1.239 18015 927 1 4 . 1 1 7 7 GLN CB C 4 29.550 29.550 28.845 0.705 18015 928 1 4 . 1 1 7 7 GLN H H 4 8.475 8.475 8.355 0.120 18015 929 1 4 . 1 1 8 8 ARG N N 5 124.132 124.132 118.955 5.177 18015 930 1 4 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.075 0.210 18015 931 1 4 . 1 1 8 8 ARG H H 5 8.631 8.631 8.195 0.436 18015 932 1 4 . 1 1 9 9 THR N N 6 125.523 125.523 116.546 8.977 18015 933 1 4 . 1 1 9 9 THR HA H 6 3.831 3.831 3.736 0.095 18015 934 1 4 . 1 1 9 9 THR CA C 6 64.978 64.978 63.104 1.874 18015 935 1 4 . 1 1 9 9 THR CB C 6 69.109 69.109 69.082 0.027 18015 936 1 4 . 1 1 9 9 THR H H 6 8.036 8.036 8.072 -0.036 18015 937 1 4 . 1 1 10 10 HIS N N 7 125.571 125.571 124.289 1.282 18015 938 1 4 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.494 0.267 18015 939 1 4 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.769 -1.000 18015 940 1 4 . 1 1 10 10 HIS H H 7 8.690 8.690 7.222 1.468 18015 941 1 4 . 1 1 11 11 PHE N N 8 126.330 126.330 120.554 5.776 18015 942 1 4 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.307 -0.473 18015 943 1 4 . 1 1 11 11 PHE CB C 8 40.533 40.533 42.203 -1.669 18015 944 1 4 . 1 1 11 11 PHE H H 8 8.703 8.703 7.700 1.003 18015 945 1 4 . 1 1 12 12 THR N N 9 113.642 113.642 112.989 0.653 18015 946 1 4 . 1 1 12 12 THR HA H 9 4.542 4.542 4.730 -0.188 18015 947 1 4 . 1 1 12 12 THR CA C 9 60.379 60.379 60.436 -0.057 18015 948 1 4 . 1 1 12 12 THR H H 9 9.165 9.165 8.540 0.625 18015 949 1 4 . 1 1 13 13 SER N N 10 116.602 116.602 117.660 -1.058 18015 950 1 4 . 1 1 13 13 SER HA H 10 4.187 4.187 3.998 0.189 18015 951 1 4 . 1 1 13 13 SER CA C 10 61.887 61.887 61.823 0.064 18015 952 1 4 . 1 1 13 13 SER CB C 10 62.286 62.286 62.837 -0.551 18015 953 1 4 . 1 1 13 13 SER H H 10 9.188 9.188 8.842 0.346 18015 954 1 4 . 1 1 14 14 GLN N N 11 120.969 120.969 119.720 1.249 18015 955 1 4 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.104 -0.051 18015 956 1 4 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.240 1.338 18015 957 1 4 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.106 -0.192 18015 958 1 4 . 1 1 14 14 GLN H H 11 8.415 8.415 8.625 -0.210 18015 959 1 4 . 1 1 15 15 GLN N N 12 119.255 119.255 117.952 1.303 18015 960 1 4 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.099 -0.266 18015 961 1 4 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.234 1.202 18015 962 1 4 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.198 -1.233 18015 963 1 4 . 1 1 15 15 GLN H H 12 7.799 7.799 7.490 0.309 18015 964 1 4 . 1 1 16 16 LEU N N 13 117.041 117.041 120.686 -3.645 18015 965 1 4 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.645 -0.029 18015 966 1 4 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.167 0.726 18015 967 1 4 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.444 0.161 18015 968 1 4 . 1 1 16 16 LEU H H 13 8.299 8.299 8.291 0.008 18015 969 1 4 . 1 1 17 17 GLN N N 14 118.025 118.025 119.464 -1.439 18015 970 1 4 . 1 1 17 17 GLN HA H 14 3.992 3.992 3.901 0.091 18015 971 1 4 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.820 0.337 18015 972 1 4 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.092 0.415 18015 973 1 4 . 1 1 17 17 GLN H H 14 8.160 8.160 8.476 -0.316 18015 974 1 4 . 1 1 18 18 GLU N N 15 119.789 119.789 118.135 1.654 18015 975 1 4 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.248 -0.067 18015 976 1 4 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.956 0.582 18015 977 1 4 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.423 0.027 18015 978 1 4 . 1 1 18 18 GLU H H 15 7.582 7.582 7.744 -0.162 18015 979 1 4 . 1 1 19 19 LEU N N 16 123.483 123.483 120.473 3.010 18015 980 1 4 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.845 -0.332 18015 981 1 4 . 1 1 19 19 LEU CA C 16 58.570 58.570 57.670 0.900 18015 982 1 4 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.931 -3.065 18015 983 1 4 . 1 1 19 19 LEU H H 16 8.313 8.313 7.424 0.889 18015 984 1 4 . 1 1 20 20 GLU N N 17 119.146 119.146 119.417 -0.271 18015 985 1 4 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.163 0.242 18015 986 1 4 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.658 -0.728 18015 987 1 4 . 1 1 20 20 GLU H H 17 8.257 8.257 8.336 -0.079 18015 988 1 4 . 1 1 21 21 ALA N N 18 120.611 120.611 121.796 -1.185 18015 989 1 4 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.204 -0.024 18015 990 1 4 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.817 0.367 18015 991 1 4 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.230 -0.216 18015 992 1 4 . 1 1 21 21 ALA H H 18 7.954 7.954 7.700 0.254 18015 993 1 4 . 1 1 22 22 THR N N 19 113.517 113.517 114.582 -1.065 18015 994 1 4 . 1 1 22 22 THR HA H 19 4.103 4.103 4.262 -0.159 18015 995 1 4 . 1 1 22 22 THR CA C 19 66.956 66.956 65.955 1.001 18015 996 1 4 . 1 1 22 22 THR CB C 19 68.338 68.338 69.409 -1.071 18015 997 1 4 . 1 1 22 22 THR H H 19 7.940 7.940 7.463 0.477 18015 998 1 4 . 1 1 23 23 PHE N N 20 125.431 125.431 123.324 2.107 18015 999 1 4 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.803 -0.430 18015 1000 1 4 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.880 0.862 18015 1001 1 4 . 1 1 23 23 PHE H H 20 8.839 8.839 8.910 -0.071 18015 1002 1 4 . 1 1 24 24 GLN N N 21 112.304 112.304 117.413 -5.109 18015 1003 1 4 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.052 -0.246 18015 1004 1 4 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.959 -0.553 18015 1005 1 4 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.918 -0.767 18015 1006 1 4 . 1 1 24 24 GLN H H 21 7.921 7.921 8.316 -0.395 18015 1007 1 4 . 1 1 25 25 ARG N N 22 116.707 116.707 115.890 0.817 18015 1008 1 4 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.501 -0.137 18015 1009 1 4 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.182 0.963 18015 1010 1 4 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.183 -0.618 18015 1011 1 4 . 1 1 25 25 ARG H H 22 7.408 7.408 7.837 -0.429 18015 1012 1 4 . 1 1 26 26 ASN N N 23 119.274 119.274 119.659 -0.385 18015 1013 1 4 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.859 -0.376 18015 1014 1 4 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.629 0.205 18015 1015 1 4 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.733 -2.170 18015 1016 1 4 . 1 1 26 26 ASN H H 23 8.251 8.251 8.409 -0.158 18015 1017 1 4 . 1 1 27 27 ARG N N 24 121.408 121.408 123.951 -2.543 18015 1018 1 4 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.412 -0.612 18015 1019 1 4 . 1 1 27 27 ARG CA C 24 57.646 57.646 56.591 1.055 18015 1020 1 4 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.003 1.000 18015 1021 1 4 . 1 1 27 27 ARG H H 24 8.400 8.400 8.329 0.071 18015 1022 1 4 . 1 1 28 28 TYR N N 25 113.992 113.992 120.207 -6.215 18015 1023 1 4 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.786 -0.128 18015 1024 1 4 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.900 0.791 18015 1025 1 4 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.209 0.926 18015 1026 1 4 . 1 1 28 28 TYR H H 25 7.734 7.734 7.847 -0.113 18015 1027 1 4 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.373 0.038 18015 1028 1 4 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.563 0.102 18015 1029 1 4 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.054 -1.001 18015 1030 1 4 . 1 1 30 30 ASP N N 27 124.189 124.189 124.516 -0.327 18015 1031 1 4 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.487 0.007 18015 1032 1 4 . 1 1 30 30 ASP CA C 27 52.530 52.530 54.118 -1.588 18015 1033 1 4 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.880 -2.307 18015 1034 1 4 . 1 1 30 30 ASP H H 27 8.467 8.467 8.606 -0.139 18015 1035 1 4 . 1 1 31 31 MET N N 28 119.367 119.367 123.581 -4.214 18015 1036 1 4 . 1 1 31 31 MET HA H 28 3.861 3.861 4.008 -0.147 18015 1037 1 4 . 1 1 31 31 MET CA C 28 60.361 60.361 58.319 2.042 18015 1038 1 4 . 1 1 31 31 MET CB C 28 32.022 32.022 32.468 -0.446 18015 1039 1 4 . 1 1 31 31 MET H H 28 8.687 8.687 8.520 0.167 18015 1040 1 4 . 1 1 32 32 SER N N 29 113.279 113.279 115.164 -1.885 18015 1041 1 4 . 1 1 32 32 SER HA H 29 4.245 4.245 4.196 0.049 18015 1042 1 4 . 1 1 32 32 SER CA C 29 61.815 61.815 61.024 0.791 18015 1043 1 4 . 1 1 32 32 SER CB C 29 62.447 62.447 63.005 -0.558 18015 1044 1 4 . 1 1 32 32 SER H H 29 8.387 8.387 8.674 -0.287 18015 1045 1 4 . 1 1 33 33 THR N N 30 120.829 120.829 119.430 1.399 18015 1046 1 4 . 1 1 33 33 THR HA H 30 4.004 4.004 4.098 -0.094 18015 1047 1 4 . 1 1 33 33 THR CA C 30 66.957 66.957 66.461 0.496 18015 1048 1 4 . 1 1 33 33 THR CB C 30 67.626 67.626 68.751 -1.125 18015 1049 1 4 . 1 1 33 33 THR H H 30 8.406 8.406 7.724 0.682 18015 1050 1 4 . 1 1 34 34 ARG N N 31 120.944 120.944 121.239 -0.295 18015 1051 1 4 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.936 -0.066 18015 1052 1 4 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.908 1.250 18015 1053 1 4 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.210 2.245 18015 1054 1 4 . 1 1 34 34 ARG H H 31 8.955 8.955 8.393 0.562 18015 1055 1 4 . 1 1 35 35 GLU N N 32 118.711 118.711 119.169 -0.458 18015 1056 1 4 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.016 -0.023 18015 1057 1 4 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.000 0.831 18015 1058 1 4 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.912 0.321 18015 1059 1 4 . 1 1 35 35 GLU H H 32 8.608 8.608 8.381 0.227 18015 1060 1 4 . 1 1 36 36 GLU N N 33 121.133 121.133 120.260 0.873 18015 1061 1 4 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.542 0.455 18015 1062 1 4 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.620 1.072 18015 1063 1 4 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.330 0.022 18015 1064 1 4 . 1 1 36 36 GLU H H 33 7.639 7.639 7.403 0.236 18015 1065 1 4 . 1 1 37 37 ILE N N 34 119.761 119.761 119.644 0.117 18015 1066 1 4 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.474 0.157 18015 1067 1 4 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.268 -0.540 18015 1068 1 4 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.714 0.817 18015 1069 1 4 . 1 1 37 37 ILE H H 34 8.415 8.415 8.070 0.345 18015 1070 1 4 . 1 1 38 38 ALA N N 35 124.272 124.272 121.291 2.981 18015 1071 1 4 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.236 -0.555 18015 1072 1 4 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.206 1.503 18015 1073 1 4 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.430 -1.479 18015 1074 1 4 . 1 1 38 38 ALA H H 35 8.551 8.551 7.792 0.759 18015 1075 1 4 . 1 1 39 39 VAL N N 36 118.330 118.330 118.583 -0.253 18015 1076 1 4 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.757 0.061 18015 1077 1 4 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.461 0.023 18015 1078 1 4 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.370 0.215 18015 1079 1 4 . 1 1 39 39 VAL H H 36 7.791 7.791 7.139 0.652 18015 1080 1 4 . 1 1 40 40 TRP N N 37 120.237 120.237 120.180 0.057 18015 1081 1 4 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.434 0.197 18015 1082 1 4 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.808 0.292 18015 1083 1 4 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.680 0.135 18015 1084 1 4 . 1 1 40 40 TRP H H 37 8.109 8.109 7.400 0.709 18015 1085 1 4 . 1 1 41 41 THR N N 38 104.809 104.809 106.834 -2.025 18015 1086 1 4 . 1 1 41 41 THR HA H 38 4.374 4.374 4.427 -0.053 18015 1087 1 4 . 1 1 41 41 THR CA C 38 61.723 61.723 61.630 0.093 18015 1088 1 4 . 1 1 41 41 THR CB C 38 71.088 71.088 69.764 1.323 18015 1089 1 4 . 1 1 41 41 THR H H 38 8.011 8.011 8.112 -0.101 18015 1090 1 4 . 1 1 42 42 ASN N N 39 118.978 118.978 118.594 0.384 18015 1091 1 4 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.460 0.074 18015 1092 1 4 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.069 0.838 18015 1093 1 4 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.740 -0.456 18015 1094 1 4 . 1 1 42 42 ASN H H 39 7.925 7.925 8.021 -0.096 18015 1095 1 4 . 1 1 43 43 LEU N N 40 120.124 120.124 118.868 1.256 18015 1096 1 4 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.807 0.238 18015 1097 1 4 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.188 -1.120 18015 1098 1 4 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.503 3.608 18015 1099 1 4 . 1 1 43 43 LEU H H 40 8.635 8.635 7.909 0.726 18015 1100 1 4 . 1 1 44 44 THR N N 41 106.690 106.690 107.934 -1.244 18015 1101 1 4 . 1 1 44 44 THR HA H 41 4.715 4.715 4.547 0.168 18015 1102 1 4 . 1 1 44 44 THR CA C 41 59.511 59.511 59.681 -0.170 18015 1103 1 4 . 1 1 44 44 THR CB C 41 71.419 71.419 71.107 0.312 18015 1104 1 4 . 1 1 44 44 THR H H 41 7.081 7.081 7.864 -0.783 18015 1105 1 4 . 1 1 45 45 GLU N N 42 124.087 124.087 121.351 2.736 18015 1106 1 4 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.907 -0.277 18015 1107 1 4 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.605 0.928 18015 1108 1 4 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.417 -1.001 18015 1109 1 4 . 1 1 45 45 GLU H H 42 9.452 9.452 8.995 0.457 18015 1110 1 4 . 1 1 46 46 ALA N N 43 119.687 119.687 121.886 -2.199 18015 1111 1 4 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.114 -0.104 18015 1112 1 4 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.089 0.530 18015 1113 1 4 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.186 0.412 18015 1114 1 4 . 1 1 46 46 ALA H H 43 8.467 8.467 7.906 0.561 18015 1115 1 4 . 1 1 47 47 ARG N N 44 116.856 116.856 118.334 -1.478 18015 1116 1 4 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.202 0.111 18015 1117 1 4 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.888 1.146 18015 1118 1 4 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.449 2.036 18015 1119 1 4 . 1 1 47 47 ARG H H 44 7.657 7.657 7.657 0.000 18015 1120 1 4 . 1 1 48 48 VAL N N 45 120.046 120.046 120.609 -0.563 18015 1121 1 4 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.852 -0.088 18015 1122 1 4 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.057 1.251 18015 1123 1 4 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.037 1.498 18015 1124 1 4 . 1 1 48 48 VAL H H 45 8.008 8.008 8.054 -0.046 18015 1125 1 4 . 1 1 49 49 ARG N N 46 121.544 121.544 120.762 0.782 18015 1126 1 4 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.057 -0.123 18015 1127 1 4 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.232 0.376 18015 1128 1 4 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.474 0.095 18015 1129 1 4 . 1 1 49 49 ARG H H 46 9.432 9.432 8.331 1.101 18015 1130 1 4 . 1 1 50 50 VAL N N 47 120.747 120.747 116.604 4.143 18015 1131 1 4 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.881 -0.239 18015 1132 1 4 . 1 1 50 50 VAL CA C 47 67.087 67.087 65.860 1.227 18015 1133 1 4 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.191 1.276 18015 1134 1 4 . 1 1 50 50 VAL H H 47 8.103 8.103 8.363 -0.260 18015 1135 1 4 . 1 1 51 51 TRP N N 48 122.857 122.857 122.783 0.074 18015 1136 1 4 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.219 0.664 18015 1137 1 4 . 1 1 51 51 TRP H H 48 8.430 8.430 7.848 0.582 18015 1138 1 4 . 1 1 52 52 PHE N N 49 118.314 118.314 118.974 -0.660 18015 1139 1 4 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.976 -0.261 18015 1140 1 4 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.558 1.050 18015 1141 1 4 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.383 0.073 18015 1142 1 4 . 1 1 52 52 PHE H H 49 9.045 9.045 8.355 0.690 18015 1143 1 4 . 1 1 53 53 LYS N N 50 121.307 121.307 119.203 2.104 18015 1144 1 4 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.883 0.059 18015 1145 1 4 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.976 0.691 18015 1146 1 4 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.062 1.151 18015 1147 1 4 . 1 1 53 53 LYS H H 50 7.915 7.915 8.366 -0.451 18015 1148 1 4 . 1 1 54 54 ASN N N 51 119.377 119.377 118.360 1.017 18015 1149 1 4 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.421 0.085 18015 1150 1 4 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.454 0.714 18015 1151 1 4 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.775 0.458 18015 1152 1 4 . 1 1 54 54 ASN H H 51 8.669 8.669 8.491 0.178 18015 1153 1 4 . 1 1 55 55 ARG N N 52 125.530 125.530 120.037 5.493 18015 1154 1 4 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.693 -0.011 18015 1155 1 4 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.472 -1.897 18015 1156 1 4 . 1 1 55 55 ARG H H 52 8.851 8.851 7.462 1.389 18015 1157 1 4 . 1 1 56 56 ARG N N 53 120.194 120.194 117.628 2.566 18015 1158 1 4 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.139 0.160 18015 1159 1 4 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.399 2.864 18015 1160 1 4 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.596 1.883 18015 1161 1 4 . 1 1 56 56 ARG H H 53 8.620 8.620 7.362 1.258 18015 1162 1 4 . 1 1 57 57 ALA N N 54 121.998 121.998 122.330 -0.332 18015 1163 1 4 . 1 1 57 57 ALA HA H 54 4.340 4.340 3.760 0.580 18015 1164 1 4 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.391 1.244 18015 1165 1 4 . 1 1 57 57 ALA CB C 54 17.490 17.490 17.962 -0.472 18015 1166 1 4 . 1 1 57 57 ALA H H 54 7.386 7.386 7.874 -0.488 18015 1167 1 4 . 1 1 58 58 LYS N N 55 120.111 120.111 119.349 0.762 18015 1168 1 4 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.880 0.186 18015 1169 1 4 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.606 0.018 18015 1170 1 4 . 1 1 58 58 LYS H H 55 7.716 7.716 8.051 -0.335 18015 1171 1 4 . 1 1 59 59 TRP N N 56 121.249 121.249 118.163 3.086 18015 1172 1 4 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.373 0.198 18015 1173 1 4 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.982 0.441 18015 1174 1 4 . 1 1 59 59 TRP CB C 56 29.651 29.651 28.459 1.192 18015 1175 1 4 . 1 1 59 59 TRP H H 56 8.362 8.362 7.522 0.840 18015 1176 1 4 . 1 1 60 60 ARG N N 57 117.543 117.543 120.507 -2.964 18015 1177 1 4 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.148 -0.270 18015 1178 1 4 . 1 1 60 60 ARG CA C 57 59.707 59.707 59.017 0.691 18015 1179 1 4 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.343 1.949 18015 1180 1 4 . 1 1 60 60 ARG H H 57 8.464 8.464 6.969 1.495 18015 1181 1 4 . 1 1 61 61 LYS N N 58 118.252 118.252 119.560 -1.308 18015 1182 1 4 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.118 0.090 18015 1183 1 4 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.370 -0.071 18015 1184 1 4 . 1 1 61 61 LYS CB C 58 33.132 33.132 31.932 1.200 18015 1185 1 4 . 1 1 61 61 LYS H H 58 7.770 7.770 8.181 -0.411 18015 1186 1 4 . 1 1 62 62 ARG N N 59 116.854 116.854 118.151 -1.297 18015 1187 1 4 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.311 0.092 18015 1188 1 4 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.965 -1.748 18015 1189 1 4 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.768 -0.567 18015 1190 1 4 . 1 1 62 62 ARG H H 59 7.978 7.978 7.688 0.290 18015 1191 1 4 . 1 1 63 63 GLU N N 60 119.450 119.450 115.734 3.716 18015 1192 1 4 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.477 -0.494 18015 1193 1 4 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.864 1.059 18015 1194 1 4 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.604 -0.603 18015 1195 1 4 . 1 1 63 63 GLU H H 60 8.078 8.078 8.172 -0.094 18015 1196 1 4 . 1 1 64 64 GLU N N 61 120.134 120.134 119.606 0.528 18015 1197 1 4 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.097 -0.323 18015 1198 1 4 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.749 -2.299 18015 1199 1 4 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.171 0.726 18015 1200 1 4 . 1 1 64 64 GLU H H 61 7.889 7.889 8.343 -0.454 18015 1201 1 4 . 1 1 65 65 PHE N N 62 118.794 118.794 110.276 8.518 18015 1202 1 4 . 1 1 65 65 PHE HA H 62 4.578 4.578 5.195 -0.617 18015 1203 1 4 . 1 1 65 65 PHE CA C 62 56.961 56.961 56.742 0.218 18015 1204 1 4 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.018 -1.721 18015 1205 1 4 . 1 1 65 65 PHE H H 62 7.731 7.731 7.767 -0.036 18015 1206 1 4 . 1 1 66 66 ILE N N 63 123.529 123.529 123.221 0.308 18015 1207 1 4 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.014 0.116 18015 1208 1 4 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.096 -0.162 18015 1209 1 4 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.066 1.478 18015 1210 1 4 . 1 1 66 66 ILE H H 63 7.802 7.802 7.018 0.784 18015 1211 1 4 . 1 1 67 67 VAL N N 64 125.799 125.799 130.241 -4.442 18015 1212 1 4 . 1 1 67 67 VAL HA H 64 4.197 4.197 2.502 1.695 18015 1213 1 4 . 1 1 67 67 VAL CA C 64 62.225 62.225 64.506 -2.281 18015 1214 1 4 . 1 1 67 67 VAL CB C 64 32.811 32.811 31.098 1.713 18015 1215 1 4 . 1 1 67 67 VAL H H 64 8.292 8.292 8.644 -0.352 18015 1216 1 4 . 1 1 68 68 THR N N 65 118.825 118.825 112.762 6.063 18015 1217 1 4 . 1 1 68 68 THR HA H 65 4.440 4.440 3.913 0.527 18015 1218 1 4 . 1 1 68 68 THR CA C 65 61.236 61.236 64.466 -3.230 18015 1219 1 4 . 1 1 68 68 THR CB C 65 70.114 70.114 68.288 1.826 18015 1220 1 4 . 1 1 68 68 THR H H 65 8.353 8.353 8.123 0.230 18015 1221 1 5 . 1 1 5 5 ARG N N 2 123.855 123.855 121.573 2.282 18015 1222 1 5 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.429 0.046 18015 1223 1 5 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.953 -0.049 18015 1224 1 5 . 1 1 5 5 ARG H H 2 8.472 8.472 8.741 -0.269 18015 1225 1 5 . 1 1 6 6 ARG N N 3 125.147 125.147 120.773 4.374 18015 1226 1 5 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.448 -0.164 18015 1227 1 5 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.419 -0.034 18015 1228 1 5 . 1 1 6 6 ARG H H 3 9.078 9.078 8.207 0.871 18015 1229 1 5 . 1 1 7 7 GLN N N 4 122.134 122.134 120.882 1.252 18015 1230 1 5 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.699 -0.398 18015 1231 1 5 . 1 1 7 7 GLN CA C 4 55.571 55.571 54.925 0.646 18015 1232 1 5 . 1 1 7 7 GLN CB C 4 29.550 29.550 31.760 -2.210 18015 1233 1 5 . 1 1 7 7 GLN H H 4 8.475 8.475 8.632 -0.157 18015 1234 1 5 . 1 1 8 8 ARG N N 5 124.132 124.132 119.920 4.212 18015 1235 1 5 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.766 -0.481 18015 1236 1 5 . 1 1 8 8 ARG H H 5 8.631 8.631 8.689 -0.058 18015 1237 1 5 . 1 1 9 9 THR N N 6 125.523 125.523 117.644 7.879 18015 1238 1 5 . 1 1 9 9 THR HA H 6 3.831 3.831 3.927 -0.096 18015 1239 1 5 . 1 1 9 9 THR CA C 6 64.978 64.978 64.052 0.926 18015 1240 1 5 . 1 1 9 9 THR CB C 6 69.109 69.109 69.112 -0.003 18015 1241 1 5 . 1 1 9 9 THR H H 6 8.036 8.036 8.475 -0.439 18015 1242 1 5 . 1 1 10 10 HIS N N 7 125.571 125.571 123.946 1.625 18015 1243 1 5 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.517 0.244 18015 1244 1 5 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.095 -1.326 18015 1245 1 5 . 1 1 10 10 HIS H H 7 8.690 8.690 7.774 0.916 18015 1246 1 5 . 1 1 11 11 PHE N N 8 126.330 126.330 120.533 5.797 18015 1247 1 5 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.416 -0.582 18015 1248 1 5 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.384 -0.851 18015 1249 1 5 . 1 1 11 11 PHE H H 8 8.703 8.703 7.720 0.983 18015 1250 1 5 . 1 1 12 12 THR N N 9 113.642 113.642 114.625 -0.983 18015 1251 1 5 . 1 1 12 12 THR HA H 9 4.542 4.542 4.847 -0.305 18015 1252 1 5 . 1 1 12 12 THR CA C 9 60.379 60.379 60.087 0.292 18015 1253 1 5 . 1 1 12 12 THR H H 9 9.165 9.165 9.315 -0.150 18015 1254 1 5 . 1 1 13 13 SER N N 10 116.602 116.602 117.867 -1.265 18015 1255 1 5 . 1 1 13 13 SER HA H 10 4.187 4.187 4.087 0.100 18015 1256 1 5 . 1 1 13 13 SER CA C 10 61.887 61.887 61.840 0.047 18015 1257 1 5 . 1 1 13 13 SER CB C 10 62.286 62.286 62.786 -0.500 18015 1258 1 5 . 1 1 13 13 SER H H 10 9.188 9.188 8.843 0.345 18015 1259 1 5 . 1 1 14 14 GLN N N 11 120.969 120.969 120.151 0.818 18015 1260 1 5 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.087 -0.034 18015 1261 1 5 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.459 1.119 18015 1262 1 5 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.012 -0.098 18015 1263 1 5 . 1 1 14 14 GLN H H 11 8.415 8.415 8.708 -0.293 18015 1264 1 5 . 1 1 15 15 GLN N N 12 119.255 119.255 119.061 0.194 18015 1265 1 5 . 1 1 15 15 GLN HA H 12 3.833 3.833 3.993 -0.160 18015 1266 1 5 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.513 0.923 18015 1267 1 5 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.998 -1.033 18015 1268 1 5 . 1 1 15 15 GLN H H 12 7.799 7.799 7.540 0.259 18015 1269 1 5 . 1 1 16 16 LEU N N 13 117.041 117.041 120.736 -3.695 18015 1270 1 5 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.538 0.078 18015 1271 1 5 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.781 0.112 18015 1272 1 5 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.458 0.148 18015 1273 1 5 . 1 1 16 16 LEU H H 13 8.299 8.299 8.232 0.067 18015 1274 1 5 . 1 1 17 17 GLN N N 14 118.025 118.025 116.782 1.243 18015 1275 1 5 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.020 -0.028 18015 1276 1 5 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.558 0.599 18015 1277 1 5 . 1 1 17 17 GLN CB C 14 28.507 28.507 27.922 0.586 18015 1278 1 5 . 1 1 17 17 GLN H H 14 8.160 8.160 8.429 -0.269 18015 1279 1 5 . 1 1 18 18 GLU N N 15 119.789 119.789 119.858 -0.069 18015 1280 1 5 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.287 -0.106 18015 1281 1 5 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.925 0.613 18015 1282 1 5 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.665 -0.215 18015 1283 1 5 . 1 1 18 18 GLU H H 15 7.582 7.582 7.611 -0.029 18015 1284 1 5 . 1 1 19 19 LEU N N 16 123.483 123.483 120.591 2.892 18015 1285 1 5 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.934 -0.421 18015 1286 1 5 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.354 0.216 18015 1287 1 5 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.026 -3.160 18015 1288 1 5 . 1 1 19 19 LEU H H 16 8.313 8.313 7.443 0.870 18015 1289 1 5 . 1 1 20 20 GLU N N 17 119.146 119.146 119.005 0.141 18015 1290 1 5 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.156 0.249 18015 1291 1 5 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.519 -0.589 18015 1292 1 5 . 1 1 20 20 GLU H H 17 8.257 8.257 8.476 -0.219 18015 1293 1 5 . 1 1 21 21 ALA N N 18 120.611 120.611 121.817 -1.206 18015 1294 1 5 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.242 -0.062 18015 1295 1 5 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.659 0.525 18015 1296 1 5 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.232 -0.218 18015 1297 1 5 . 1 1 21 21 ALA H H 18 7.954 7.954 7.836 0.118 18015 1298 1 5 . 1 1 22 22 THR N N 19 113.517 113.517 115.422 -1.905 18015 1299 1 5 . 1 1 22 22 THR HA H 19 4.103 4.103 4.296 -0.193 18015 1300 1 5 . 1 1 22 22 THR CA C 19 66.956 66.956 65.773 1.183 18015 1301 1 5 . 1 1 22 22 THR CB C 19 68.338 68.338 69.544 -1.206 18015 1302 1 5 . 1 1 22 22 THR H H 19 7.940 7.940 7.556 0.384 18015 1303 1 5 . 1 1 23 23 PHE N N 20 125.431 125.431 123.159 2.272 18015 1304 1 5 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.790 -0.417 18015 1305 1 5 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.727 1.014 18015 1306 1 5 . 1 1 23 23 PHE H H 20 8.839 8.839 8.535 0.304 18015 1307 1 5 . 1 1 24 24 GLN N N 21 112.304 112.304 118.961 -6.657 18015 1308 1 5 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.185 -0.379 18015 1309 1 5 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.495 -0.089 18015 1310 1 5 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.636 -0.485 18015 1311 1 5 . 1 1 24 24 GLN H H 21 7.921 7.921 8.415 -0.494 18015 1312 1 5 . 1 1 25 25 ARG N N 22 116.707 116.707 116.734 -0.027 18015 1313 1 5 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.433 -0.069 18015 1314 1 5 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.021 1.124 18015 1315 1 5 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.384 -0.819 18015 1316 1 5 . 1 1 25 25 ARG H H 22 7.408 7.408 7.912 -0.504 18015 1317 1 5 . 1 1 26 26 ASN N N 23 119.274 119.274 119.058 0.216 18015 1318 1 5 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.854 -0.371 18015 1319 1 5 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.783 0.051 18015 1320 1 5 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.235 -1.672 18015 1321 1 5 . 1 1 26 26 ASN H H 23 8.251 8.251 8.316 -0.065 18015 1322 1 5 . 1 1 27 27 ARG N N 24 121.408 121.408 125.258 -3.850 18015 1323 1 5 . 1 1 27 27 ARG HA H 24 3.800 3.800 3.751 0.049 18015 1324 1 5 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.582 0.064 18015 1325 1 5 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.399 0.604 18015 1326 1 5 . 1 1 27 27 ARG H H 24 8.400 8.400 8.713 -0.313 18015 1327 1 5 . 1 1 28 28 TYR N N 25 113.992 113.992 117.443 -3.451 18015 1328 1 5 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.907 -0.249 18015 1329 1 5 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.309 0.382 18015 1330 1 5 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.041 1.094 18015 1331 1 5 . 1 1 28 28 TYR H H 25 7.734 7.734 8.098 -0.364 18015 1332 1 5 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.353 0.058 18015 1333 1 5 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.853 -0.188 18015 1334 1 5 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.084 -1.031 18015 1335 1 5 . 1 1 30 30 ASP N N 27 124.189 124.189 122.260 1.929 18015 1336 1 5 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.476 0.018 18015 1337 1 5 . 1 1 30 30 ASP CA C 27 52.530 52.530 54.315 -1.784 18015 1338 1 5 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.773 -2.200 18015 1339 1 5 . 1 1 30 30 ASP H H 27 8.467 8.467 8.482 -0.015 18015 1340 1 5 . 1 1 31 31 MET N N 28 119.367 119.367 123.480 -4.113 18015 1341 1 5 . 1 1 31 31 MET HA H 28 3.861 3.861 4.016 -0.155 18015 1342 1 5 . 1 1 31 31 MET CA C 28 60.361 60.361 58.659 1.702 18015 1343 1 5 . 1 1 31 31 MET CB C 28 32.022 32.022 32.395 -0.373 18015 1344 1 5 . 1 1 31 31 MET H H 28 8.687 8.687 8.448 0.239 18015 1345 1 5 . 1 1 32 32 SER N N 29 113.279 113.279 113.717 -0.438 18015 1346 1 5 . 1 1 32 32 SER HA H 29 4.245 4.245 4.292 -0.047 18015 1347 1 5 . 1 1 32 32 SER CA C 29 61.815 61.815 60.059 1.756 18015 1348 1 5 . 1 1 32 32 SER CB C 29 62.447 62.447 63.198 -0.751 18015 1349 1 5 . 1 1 32 32 SER H H 29 8.387 8.387 8.527 -0.140 18015 1350 1 5 . 1 1 33 33 THR N N 30 120.829 120.829 117.428 3.401 18015 1351 1 5 . 1 1 33 33 THR HA H 30 4.004 4.004 4.431 -0.427 18015 1352 1 5 . 1 1 33 33 THR CA C 30 66.957 66.957 65.283 1.674 18015 1353 1 5 . 1 1 33 33 THR CB C 30 67.626 67.626 69.482 -1.856 18015 1354 1 5 . 1 1 33 33 THR H H 30 8.406 8.406 7.634 0.772 18015 1355 1 5 . 1 1 34 34 ARG N N 31 120.944 120.944 121.716 -0.772 18015 1356 1 5 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.834 0.036 18015 1357 1 5 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.907 1.252 18015 1358 1 5 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.118 2.337 18015 1359 1 5 . 1 1 34 34 ARG H H 31 8.955 8.955 8.627 0.328 18015 1360 1 5 . 1 1 35 35 GLU N N 32 118.711 118.711 117.231 1.480 18015 1361 1 5 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.084 -0.091 18015 1362 1 5 . 1 1 35 35 GLU CA C 32 59.831 59.831 58.450 1.381 18015 1363 1 5 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.837 0.396 18015 1364 1 5 . 1 1 35 35 GLU H H 32 8.608 8.608 7.755 0.853 18015 1365 1 5 . 1 1 36 36 GLU N N 33 121.133 121.133 118.926 2.207 18015 1366 1 5 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.881 0.116 18015 1367 1 5 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.204 1.488 18015 1368 1 5 . 1 1 36 36 GLU CB C 33 29.352 29.352 30.095 -0.743 18015 1369 1 5 . 1 1 36 36 GLU H H 33 7.639 7.639 7.509 0.130 18015 1370 1 5 . 1 1 37 37 ILE N N 34 119.761 119.761 120.969 -1.208 18015 1371 1 5 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.602 0.029 18015 1372 1 5 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.351 -0.623 18015 1373 1 5 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.606 0.925 18015 1374 1 5 . 1 1 37 37 ILE H H 34 8.415 8.415 8.078 0.337 18015 1375 1 5 . 1 1 38 38 ALA N N 35 124.272 124.272 121.680 2.592 18015 1376 1 5 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.109 -0.428 18015 1377 1 5 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.279 1.430 18015 1378 1 5 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.352 -1.401 18015 1379 1 5 . 1 1 38 38 ALA H H 35 8.551 8.551 7.729 0.822 18015 1380 1 5 . 1 1 39 39 VAL N N 36 118.330 118.330 118.157 0.173 18015 1381 1 5 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.574 0.244 18015 1382 1 5 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.519 -0.035 18015 1383 1 5 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.044 0.541 18015 1384 1 5 . 1 1 39 39 VAL H H 36 7.791 7.791 7.311 0.480 18015 1385 1 5 . 1 1 40 40 TRP N N 37 120.237 120.237 120.947 -0.710 18015 1386 1 5 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.338 0.293 18015 1387 1 5 . 1 1 40 40 TRP CA C 37 59.100 59.100 59.283 -0.183 18015 1388 1 5 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.053 0.762 18015 1389 1 5 . 1 1 40 40 TRP H H 37 8.109 8.109 6.588 1.521 18015 1390 1 5 . 1 1 41 41 THR N N 38 104.809 104.809 107.334 -2.525 18015 1391 1 5 . 1 1 41 41 THR HA H 38 4.374 4.374 4.292 0.082 18015 1392 1 5 . 1 1 41 41 THR CA C 38 61.723 61.723 61.950 -0.227 18015 1393 1 5 . 1 1 41 41 THR CB C 38 71.088 71.088 69.064 2.024 18015 1394 1 5 . 1 1 41 41 THR H H 38 8.011 8.011 7.649 0.362 18015 1395 1 5 . 1 1 42 42 ASN N N 39 118.978 118.978 117.432 1.546 18015 1396 1 5 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.342 0.192 18015 1397 1 5 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.230 0.677 18015 1398 1 5 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.965 -0.680 18015 1399 1 5 . 1 1 42 42 ASN H H 39 7.925 7.925 7.664 0.261 18015 1400 1 5 . 1 1 43 43 LEU N N 40 120.124 120.124 118.977 1.147 18015 1401 1 5 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.453 0.592 18015 1402 1 5 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.811 -1.743 18015 1403 1 5 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.149 3.962 18015 1404 1 5 . 1 1 43 43 LEU H H 40 8.635 8.635 7.618 1.017 18015 1405 1 5 . 1 1 44 44 THR N N 41 106.690 106.690 111.827 -5.137 18015 1406 1 5 . 1 1 44 44 THR HA H 41 4.715 4.715 4.535 0.180 18015 1407 1 5 . 1 1 44 44 THR CA C 41 59.511 59.511 59.833 -0.322 18015 1408 1 5 . 1 1 44 44 THR CB C 41 71.419 71.419 71.255 0.164 18015 1409 1 5 . 1 1 44 44 THR H H 41 7.081 7.081 7.924 -0.843 18015 1410 1 5 . 1 1 45 45 GLU N N 42 124.087 124.087 126.092 -2.005 18015 1411 1 5 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.882 -0.252 18015 1412 1 5 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.508 1.025 18015 1413 1 5 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.631 -1.215 18015 1414 1 5 . 1 1 45 45 GLU H H 42 9.452 9.452 8.977 0.475 18015 1415 1 5 . 1 1 46 46 ALA N N 43 119.687 119.687 121.059 -1.372 18015 1416 1 5 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.161 -0.151 18015 1417 1 5 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.979 0.640 18015 1418 1 5 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.095 0.504 18015 1419 1 5 . 1 1 46 46 ALA H H 43 8.467 8.467 8.525 -0.058 18015 1420 1 5 . 1 1 47 47 ARG N N 44 116.856 116.856 118.386 -1.530 18015 1421 1 5 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.246 0.067 18015 1422 1 5 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.181 0.853 18015 1423 1 5 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.644 1.841 18015 1424 1 5 . 1 1 47 47 ARG H H 44 7.657 7.657 7.955 -0.298 18015 1425 1 5 . 1 1 48 48 VAL N N 45 120.046 120.046 120.748 -0.702 18015 1426 1 5 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.802 -0.038 18015 1427 1 5 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.705 0.603 18015 1428 1 5 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.284 1.251 18015 1429 1 5 . 1 1 48 48 VAL H H 45 8.008 8.008 7.648 0.360 18015 1430 1 5 . 1 1 49 49 ARG N N 46 121.544 121.544 120.335 1.209 18015 1431 1 5 . 1 1 49 49 ARG HA H 46 3.934 3.934 3.970 -0.036 18015 1432 1 5 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.153 0.455 18015 1433 1 5 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.267 0.302 18015 1434 1 5 . 1 1 49 49 ARG H H 46 9.432 9.432 8.249 1.183 18015 1435 1 5 . 1 1 50 50 VAL N N 47 120.747 120.747 119.204 1.543 18015 1436 1 5 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.782 -0.140 18015 1437 1 5 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.178 -0.091 18015 1438 1 5 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.603 0.864 18015 1439 1 5 . 1 1 50 50 VAL H H 47 8.103 8.103 8.287 -0.184 18015 1440 1 5 . 1 1 51 51 TRP N N 48 122.857 122.857 121.607 1.250 18015 1441 1 5 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.192 0.691 18015 1442 1 5 . 1 1 51 51 TRP H H 48 8.430 8.430 7.969 0.461 18015 1443 1 5 . 1 1 52 52 PHE N N 49 118.314 118.314 118.606 -0.292 18015 1444 1 5 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.081 -0.366 18015 1445 1 5 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.303 1.305 18015 1446 1 5 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.263 0.193 18015 1447 1 5 . 1 1 52 52 PHE H H 49 9.045 9.045 8.809 0.236 18015 1448 1 5 . 1 1 53 53 LYS N N 50 121.307 121.307 119.666 1.641 18015 1449 1 5 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.893 0.049 18015 1450 1 5 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.122 0.545 18015 1451 1 5 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.032 1.181 18015 1452 1 5 . 1 1 53 53 LYS H H 50 7.915 7.915 8.658 -0.743 18015 1453 1 5 . 1 1 54 54 ASN N N 51 119.377 119.377 119.369 0.008 18015 1454 1 5 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.400 0.106 18015 1455 1 5 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.812 0.356 18015 1456 1 5 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.830 0.403 18015 1457 1 5 . 1 1 54 54 ASN H H 51 8.669 8.669 8.375 0.294 18015 1458 1 5 . 1 1 55 55 ARG N N 52 125.530 125.530 120.538 4.992 18015 1459 1 5 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.551 0.131 18015 1460 1 5 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.074 -1.499 18015 1461 1 5 . 1 1 55 55 ARG H H 52 8.851 8.851 7.632 1.219 18015 1462 1 5 . 1 1 56 56 ARG N N 53 120.194 120.194 118.579 1.615 18015 1463 1 5 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.415 -0.116 18015 1464 1 5 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.840 2.423 18015 1465 1 5 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.455 1.024 18015 1466 1 5 . 1 1 56 56 ARG H H 53 8.620 8.620 7.821 0.799 18015 1467 1 5 . 1 1 57 57 ALA N N 54 121.998 121.998 122.604 -0.606 18015 1468 1 5 . 1 1 57 57 ALA HA H 54 4.340 4.340 3.615 0.726 18015 1469 1 5 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.722 0.913 18015 1470 1 5 . 1 1 57 57 ALA CB C 54 17.490 17.490 17.992 -0.502 18015 1471 1 5 . 1 1 57 57 ALA H H 54 7.386 7.386 8.389 -1.003 18015 1472 1 5 . 1 1 58 58 LYS N N 55 120.111 120.111 119.391 0.720 18015 1473 1 5 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.900 0.166 18015 1474 1 5 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.698 -0.074 18015 1475 1 5 . 1 1 58 58 LYS H H 55 7.716 7.716 8.060 -0.344 18015 1476 1 5 . 1 1 59 59 TRP N N 56 121.249 121.249 118.465 2.784 18015 1477 1 5 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.357 0.214 18015 1478 1 5 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.057 0.366 18015 1479 1 5 . 1 1 59 59 TRP CB C 56 29.651 29.651 28.471 1.180 18015 1480 1 5 . 1 1 59 59 TRP H H 56 8.362 8.362 7.737 0.625 18015 1481 1 5 . 1 1 60 60 ARG N N 57 117.543 117.543 120.998 -3.455 18015 1482 1 5 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.049 -0.171 18015 1483 1 5 . 1 1 60 60 ARG CA C 57 59.707 59.707 59.131 0.576 18015 1484 1 5 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.766 1.526 18015 1485 1 5 . 1 1 60 60 ARG H H 57 8.464 8.464 7.277 1.187 18015 1486 1 5 . 1 1 61 61 LYS N N 58 118.252 118.252 119.479 -1.227 18015 1487 1 5 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.052 0.156 18015 1488 1 5 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.997 -0.698 18015 1489 1 5 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.256 0.876 18015 1490 1 5 . 1 1 61 61 LYS H H 58 7.770 7.770 7.762 0.008 18015 1491 1 5 . 1 1 62 62 ARG N N 59 116.854 116.854 118.754 -1.900 18015 1492 1 5 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.286 0.117 18015 1493 1 5 . 1 1 62 62 ARG CA C 59 56.217 56.217 58.242 -2.025 18015 1494 1 5 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.364 -0.163 18015 1495 1 5 . 1 1 62 62 ARG H H 59 7.978 7.978 7.894 0.084 18015 1496 1 5 . 1 1 63 63 GLU N N 60 119.450 119.450 115.330 4.120 18015 1497 1 5 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.551 -0.568 18015 1498 1 5 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.869 1.054 18015 1499 1 5 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.531 -0.530 18015 1500 1 5 . 1 1 63 63 GLU H H 60 8.078 8.078 8.228 -0.150 18015 1501 1 5 . 1 1 64 64 GLU N N 61 120.134 120.134 120.014 0.120 18015 1502 1 5 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.093 -0.319 18015 1503 1 5 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.606 -2.156 18015 1504 1 5 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.907 0.990 18015 1505 1 5 . 1 1 64 64 GLU H H 61 7.889 7.889 8.562 -0.673 18015 1506 1 5 . 1 1 65 65 PHE N N 62 118.794 118.794 112.247 6.547 18015 1507 1 5 . 1 1 65 65 PHE HA H 62 4.578 4.578 5.188 -0.610 18015 1508 1 5 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.362 -0.401 18015 1509 1 5 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.301 -2.004 18015 1510 1 5 . 1 1 65 65 PHE H H 62 7.731 7.731 7.857 -0.126 18015 1511 1 5 . 1 1 66 66 ILE N N 63 123.529 123.529 123.481 0.048 18015 1512 1 5 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.736 0.394 18015 1513 1 5 . 1 1 66 66 ILE CA C 63 60.934 60.934 62.294 -1.359 18015 1514 1 5 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.257 1.286 18015 1515 1 5 . 1 1 66 66 ILE H H 63 7.802 7.802 6.973 0.829 18015 1516 1 5 . 1 1 67 67 VAL N N 64 125.799 125.799 125.974 -0.175 18015 1517 1 5 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.132 0.065 18015 1518 1 5 . 1 1 67 67 VAL CA C 64 62.225 62.225 60.467 1.758 18015 1519 1 5 . 1 1 67 67 VAL CB C 64 32.811 32.811 33.616 -0.805 18015 1520 1 5 . 1 1 67 67 VAL H H 64 8.292 8.292 7.863 0.429 18015 1521 1 5 . 1 1 68 68 THR N N 65 118.825 118.825 118.512 0.313 18015 1522 1 5 . 1 1 68 68 THR HA H 65 4.440 4.440 4.710 -0.270 18015 1523 1 5 . 1 1 68 68 THR CA C 65 61.236 61.236 61.062 0.174 18015 1524 1 5 . 1 1 68 68 THR CB C 65 70.114 70.114 69.808 0.306 18015 1525 1 5 . 1 1 68 68 THR H H 65 8.353 8.353 7.826 0.527 18015 1526 1 6 . 1 1 5 5 ARG N N 2 123.855 123.855 123.377 0.478 18015 1527 1 6 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.405 0.070 18015 1528 1 6 . 1 1 5 5 ARG CA C 2 55.904 55.904 56.123 -0.219 18015 1529 1 6 . 1 1 5 5 ARG H H 2 8.472 8.472 8.420 0.052 18015 1530 1 6 . 1 1 6 6 ARG N N 3 125.147 125.147 123.723 1.424 18015 1531 1 6 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.406 -0.122 18015 1532 1 6 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.049 0.336 18015 1533 1 6 . 1 1 6 6 ARG H H 3 9.078 9.078 8.482 0.596 18015 1534 1 6 . 1 1 7 7 GLN N N 4 122.134 122.134 119.586 2.548 18015 1535 1 6 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.254 0.047 18015 1536 1 6 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.910 -0.339 18015 1537 1 6 . 1 1 7 7 GLN CB C 4 29.550 29.550 28.714 0.836 18015 1538 1 6 . 1 1 7 7 GLN H H 4 8.475 8.475 8.579 -0.104 18015 1539 1 6 . 1 1 8 8 ARG N N 5 124.132 124.132 121.177 2.955 18015 1540 1 6 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.164 0.121 18015 1541 1 6 . 1 1 8 8 ARG H H 5 8.631 8.631 7.990 0.641 18015 1542 1 6 . 1 1 9 9 THR N N 6 125.523 125.523 116.688 8.835 18015 1543 1 6 . 1 1 9 9 THR HA H 6 3.831 3.831 4.389 -0.558 18015 1544 1 6 . 1 1 9 9 THR CA C 6 64.978 64.978 61.156 3.822 18015 1545 1 6 . 1 1 9 9 THR CB C 6 69.109 69.109 69.661 -0.552 18015 1546 1 6 . 1 1 9 9 THR H H 6 8.036 8.036 8.341 -0.305 18015 1547 1 6 . 1 1 10 10 HIS N N 7 125.571 125.571 118.268 7.303 18015 1548 1 6 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.600 0.161 18015 1549 1 6 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.883 -2.114 18015 1550 1 6 . 1 1 10 10 HIS H H 7 8.690 8.690 8.071 0.619 18015 1551 1 6 . 1 1 11 11 PHE N N 8 126.330 126.330 121.407 4.923 18015 1552 1 6 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.000 -0.166 18015 1553 1 6 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.291 -0.758 18015 1554 1 6 . 1 1 11 11 PHE H H 8 8.703 8.703 8.475 0.228 18015 1555 1 6 . 1 1 12 12 THR N N 9 113.642 113.642 115.676 -2.034 18015 1556 1 6 . 1 1 12 12 THR HA H 9 4.542 4.542 4.488 0.054 18015 1557 1 6 . 1 1 12 12 THR CA C 9 60.379 60.379 60.946 -0.567 18015 1558 1 6 . 1 1 12 12 THR H H 9 9.165 9.165 8.844 0.321 18015 1559 1 6 . 1 1 13 13 SER N N 10 116.602 116.602 118.035 -1.433 18015 1560 1 6 . 1 1 13 13 SER HA H 10 4.187 4.187 4.079 0.108 18015 1561 1 6 . 1 1 13 13 SER CA C 10 61.887 61.887 62.494 -0.607 18015 1562 1 6 . 1 1 13 13 SER CB C 10 62.286 62.286 62.857 -0.571 18015 1563 1 6 . 1 1 13 13 SER H H 10 9.188 9.188 8.911 0.277 18015 1564 1 6 . 1 1 14 14 GLN N N 11 120.969 120.969 121.495 -0.526 18015 1565 1 6 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.054 -0.001 18015 1566 1 6 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.529 1.048 18015 1567 1 6 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.041 -0.127 18015 1568 1 6 . 1 1 14 14 GLN H H 11 8.415 8.415 8.573 -0.158 18015 1569 1 6 . 1 1 15 15 GLN N N 12 119.255 119.255 119.471 -0.216 18015 1570 1 6 . 1 1 15 15 GLN HA H 12 3.833 3.833 3.900 -0.067 18015 1571 1 6 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.981 0.455 18015 1572 1 6 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.879 -0.914 18015 1573 1 6 . 1 1 15 15 GLN H H 12 7.799 7.799 7.894 -0.095 18015 1574 1 6 . 1 1 16 16 LEU N N 13 117.041 117.041 119.776 -2.735 18015 1575 1 6 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.672 -0.056 18015 1576 1 6 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.570 0.323 18015 1577 1 6 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.575 0.030 18015 1578 1 6 . 1 1 16 16 LEU H H 13 8.299 8.299 8.219 0.080 18015 1579 1 6 . 1 1 17 17 GLN N N 14 118.025 118.025 116.676 1.349 18015 1580 1 6 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.227 -0.235 18015 1581 1 6 . 1 1 17 17 GLN CA C 14 59.157 59.157 57.828 1.329 18015 1582 1 6 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.203 0.303 18015 1583 1 6 . 1 1 17 17 GLN H H 14 8.160 8.160 8.041 0.118 18015 1584 1 6 . 1 1 18 18 GLU N N 15 119.789 119.789 119.158 0.631 18015 1585 1 6 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.331 -0.150 18015 1586 1 6 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.599 0.939 18015 1587 1 6 . 1 1 18 18 GLU CB C 15 29.450 29.450 30.491 -1.040 18015 1588 1 6 . 1 1 18 18 GLU H H 15 7.582 7.582 7.643 -0.061 18015 1589 1 6 . 1 1 19 19 LEU N N 16 123.483 123.483 120.740 2.743 18015 1590 1 6 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.862 -0.349 18015 1591 1 6 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.714 -0.144 18015 1592 1 6 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.039 -3.173 18015 1593 1 6 . 1 1 19 19 LEU H H 16 8.313 8.313 7.316 0.997 18015 1594 1 6 . 1 1 20 20 GLU N N 17 119.146 119.146 119.438 -0.292 18015 1595 1 6 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.204 0.201 18015 1596 1 6 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.704 -0.774 18015 1597 1 6 . 1 1 20 20 GLU H H 17 8.257 8.257 8.654 -0.397 18015 1598 1 6 . 1 1 21 21 ALA N N 18 120.611 120.611 122.094 -1.483 18015 1599 1 6 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.200 -0.020 18015 1600 1 6 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.894 0.290 18015 1601 1 6 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.071 -0.057 18015 1602 1 6 . 1 1 21 21 ALA H H 18 7.954 7.954 8.265 -0.311 18015 1603 1 6 . 1 1 22 22 THR N N 19 113.517 113.517 114.186 -0.669 18015 1604 1 6 . 1 1 22 22 THR HA H 19 4.103 4.103 4.281 -0.178 18015 1605 1 6 . 1 1 22 22 THR CA C 19 66.956 66.956 65.980 0.976 18015 1606 1 6 . 1 1 22 22 THR CB C 19 68.338 68.338 69.444 -1.106 18015 1607 1 6 . 1 1 22 22 THR H H 19 7.940 7.940 7.630 0.310 18015 1608 1 6 . 1 1 23 23 PHE N N 20 125.431 125.431 123.297 2.134 18015 1609 1 6 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.774 -0.401 18015 1610 1 6 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.587 1.155 18015 1611 1 6 . 1 1 23 23 PHE H H 20 8.839 8.839 8.729 0.110 18015 1612 1 6 . 1 1 24 24 GLN N N 21 112.304 112.304 117.171 -4.867 18015 1613 1 6 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.021 -0.215 18015 1614 1 6 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.218 0.188 18015 1615 1 6 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.660 -0.509 18015 1616 1 6 . 1 1 24 24 GLN H H 21 7.921 7.921 8.256 -0.335 18015 1617 1 6 . 1 1 25 25 ARG N N 22 116.707 116.707 116.495 0.212 18015 1618 1 6 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.503 -0.139 18015 1619 1 6 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.093 1.052 18015 1620 1 6 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.148 -0.583 18015 1621 1 6 . 1 1 25 25 ARG H H 22 7.408 7.408 7.891 -0.483 18015 1622 1 6 . 1 1 26 26 ASN N N 23 119.274 119.274 119.762 -0.488 18015 1623 1 6 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.896 -0.413 18015 1624 1 6 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.658 0.176 18015 1625 1 6 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.453 -0.890 18015 1626 1 6 . 1 1 26 26 ASN H H 23 8.251 8.251 8.498 -0.247 18015 1627 1 6 . 1 1 27 27 ARG N N 24 121.408 121.408 122.703 -1.295 18015 1628 1 6 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.329 -0.529 18015 1629 1 6 . 1 1 27 27 ARG CA C 24 57.646 57.646 58.109 -0.463 18015 1630 1 6 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.110 0.893 18015 1631 1 6 . 1 1 27 27 ARG H H 24 8.400 8.400 8.425 -0.025 18015 1632 1 6 . 1 1 28 28 TYR N N 25 113.992 113.992 117.887 -3.895 18015 1633 1 6 . 1 1 28 28 TYR HA H 25 4.658 4.658 5.027 -0.369 18015 1634 1 6 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.264 1.427 18015 1635 1 6 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.314 1.821 18015 1636 1 6 . 1 1 28 28 TYR H H 25 7.734 7.734 7.597 0.137 18015 1637 1 6 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.584 -0.173 18015 1638 1 6 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.369 0.296 18015 1639 1 6 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.796 -1.743 18015 1640 1 6 . 1 1 30 30 ASP N N 27 124.189 124.189 117.929 6.260 18015 1641 1 6 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.682 -0.188 18015 1642 1 6 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.150 -0.620 18015 1643 1 6 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.153 -2.580 18015 1644 1 6 . 1 1 30 30 ASP H H 27 8.467 8.467 8.419 0.048 18015 1645 1 6 . 1 1 31 31 MET N N 28 119.367 119.367 119.133 0.234 18015 1646 1 6 . 1 1 31 31 MET HA H 28 3.861 3.861 4.169 -0.308 18015 1647 1 6 . 1 1 31 31 MET CA C 28 60.361 60.361 57.854 2.507 18015 1648 1 6 . 1 1 31 31 MET CB C 28 32.022 32.022 30.972 1.050 18015 1649 1 6 . 1 1 31 31 MET H H 28 8.687 8.687 8.786 -0.099 18015 1650 1 6 . 1 1 32 32 SER N N 29 113.279 113.279 115.630 -2.351 18015 1651 1 6 . 1 1 32 32 SER HA H 29 4.245 4.245 4.319 -0.074 18015 1652 1 6 . 1 1 32 32 SER CA C 29 61.815 61.815 61.466 0.349 18015 1653 1 6 . 1 1 32 32 SER CB C 29 62.447 62.447 63.045 -0.598 18015 1654 1 6 . 1 1 32 32 SER H H 29 8.387 8.387 8.056 0.332 18015 1655 1 6 . 1 1 33 33 THR N N 30 120.829 120.829 119.961 0.868 18015 1656 1 6 . 1 1 33 33 THR HA H 30 4.004 4.004 4.032 -0.028 18015 1657 1 6 . 1 1 33 33 THR CA C 30 66.957 66.957 66.559 0.398 18015 1658 1 6 . 1 1 33 33 THR CB C 30 67.626 67.626 68.665 -1.039 18015 1659 1 6 . 1 1 33 33 THR H H 30 8.406 8.406 8.237 0.169 18015 1660 1 6 . 1 1 34 34 ARG N N 31 120.944 120.944 120.506 0.438 18015 1661 1 6 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.962 -0.092 18015 1662 1 6 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.823 1.335 18015 1663 1 6 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.153 2.302 18015 1664 1 6 . 1 1 34 34 ARG H H 31 8.955 8.955 8.578 0.377 18015 1665 1 6 . 1 1 35 35 GLU N N 32 118.711 118.711 119.347 -0.636 18015 1666 1 6 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.019 -0.026 18015 1667 1 6 . 1 1 35 35 GLU CA C 32 59.831 59.831 58.952 0.879 18015 1668 1 6 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.945 0.288 18015 1669 1 6 . 1 1 35 35 GLU H H 32 8.608 8.608 8.024 0.584 18015 1670 1 6 . 1 1 36 36 GLU N N 33 121.133 121.133 120.415 0.718 18015 1671 1 6 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.657 0.340 18015 1672 1 6 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.759 0.933 18015 1673 1 6 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.549 -0.197 18015 1674 1 6 . 1 1 36 36 GLU H H 33 7.639 7.639 7.686 -0.047 18015 1675 1 6 . 1 1 37 37 ILE N N 34 119.761 119.761 119.400 0.361 18015 1676 1 6 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.548 0.083 18015 1677 1 6 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.097 -0.369 18015 1678 1 6 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.705 0.826 18015 1679 1 6 . 1 1 37 37 ILE H H 34 8.415 8.415 8.001 0.414 18015 1680 1 6 . 1 1 38 38 ALA N N 35 124.272 124.272 122.476 1.796 18015 1681 1 6 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.126 -0.445 18015 1682 1 6 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.821 0.888 18015 1683 1 6 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.257 -1.306 18015 1684 1 6 . 1 1 38 38 ALA H H 35 8.551 8.551 7.717 0.834 18015 1685 1 6 . 1 1 39 39 VAL N N 36 118.330 118.330 118.494 -0.164 18015 1686 1 6 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.603 0.215 18015 1687 1 6 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.510 -0.026 18015 1688 1 6 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.125 0.460 18015 1689 1 6 . 1 1 39 39 VAL H H 36 7.791 7.791 7.040 0.751 18015 1690 1 6 . 1 1 40 40 TRP N N 37 120.237 120.237 120.769 -0.532 18015 1691 1 6 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.370 0.261 18015 1692 1 6 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.921 0.179 18015 1693 1 6 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.475 0.340 18015 1694 1 6 . 1 1 40 40 TRP H H 37 8.109 8.109 7.204 0.905 18015 1695 1 6 . 1 1 41 41 THR N N 38 104.809 104.809 107.200 -2.391 18015 1696 1 6 . 1 1 41 41 THR HA H 38 4.374 4.374 4.429 -0.055 18015 1697 1 6 . 1 1 41 41 THR CA C 38 61.723 61.723 61.262 0.461 18015 1698 1 6 . 1 1 41 41 THR CB C 38 71.088 71.088 70.378 0.710 18015 1699 1 6 . 1 1 41 41 THR H H 38 8.011 8.011 7.756 0.255 18015 1700 1 6 . 1 1 42 42 ASN N N 39 118.978 118.978 117.754 1.224 18015 1701 1 6 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.388 0.146 18015 1702 1 6 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.298 0.609 18015 1703 1 6 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.385 -0.100 18015 1704 1 6 . 1 1 42 42 ASN H H 39 7.925 7.925 7.797 0.128 18015 1705 1 6 . 1 1 43 43 LEU N N 40 120.124 120.124 118.019 2.105 18015 1706 1 6 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.612 0.433 18015 1707 1 6 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.291 -1.223 18015 1708 1 6 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.825 3.286 18015 1709 1 6 . 1 1 43 43 LEU H H 40 8.635 8.635 8.039 0.596 18015 1710 1 6 . 1 1 44 44 THR N N 41 106.690 106.690 107.909 -1.219 18015 1711 1 6 . 1 1 44 44 THR HA H 41 4.715 4.715 4.521 0.194 18015 1712 1 6 . 1 1 44 44 THR CA C 41 59.511 59.511 59.499 0.012 18015 1713 1 6 . 1 1 44 44 THR CB C 41 71.419 71.419 70.928 0.491 18015 1714 1 6 . 1 1 44 44 THR H H 41 7.081 7.081 7.893 -0.812 18015 1715 1 6 . 1 1 45 45 GLU N N 42 124.087 124.087 122.653 1.434 18015 1716 1 6 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.833 -0.203 18015 1717 1 6 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.564 0.969 18015 1718 1 6 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.184 -0.768 18015 1719 1 6 . 1 1 45 45 GLU H H 42 9.452 9.452 8.926 0.526 18015 1720 1 6 . 1 1 46 46 ALA N N 43 119.687 119.687 121.321 -1.634 18015 1721 1 6 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.125 -0.115 18015 1722 1 6 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.208 0.411 18015 1723 1 6 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.125 0.474 18015 1724 1 6 . 1 1 46 46 ALA H H 43 8.467 8.467 8.504 -0.037 18015 1725 1 6 . 1 1 47 47 ARG N N 44 116.856 116.856 118.148 -1.292 18015 1726 1 6 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.200 0.113 18015 1727 1 6 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.953 1.081 18015 1728 1 6 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.698 1.787 18015 1729 1 6 . 1 1 47 47 ARG H H 44 7.657 7.657 7.542 0.115 18015 1730 1 6 . 1 1 48 48 VAL N N 45 120.046 120.046 121.310 -1.264 18015 1731 1 6 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.793 -0.029 18015 1732 1 6 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.910 0.398 18015 1733 1 6 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.376 1.159 18015 1734 1 6 . 1 1 48 48 VAL H H 45 8.008 8.008 8.419 -0.411 18015 1735 1 6 . 1 1 49 49 ARG N N 46 121.544 121.544 120.729 0.815 18015 1736 1 6 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.079 -0.145 18015 1737 1 6 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.034 0.574 18015 1738 1 6 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.207 0.362 18015 1739 1 6 . 1 1 49 49 ARG H H 46 9.432 9.432 8.309 1.123 18015 1740 1 6 . 1 1 50 50 VAL N N 47 120.747 120.747 119.302 1.445 18015 1741 1 6 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.743 -0.101 18015 1742 1 6 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.064 0.023 18015 1743 1 6 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.519 0.948 18015 1744 1 6 . 1 1 50 50 VAL H H 47 8.103 8.103 8.416 -0.313 18015 1745 1 6 . 1 1 51 51 TRP N N 48 122.857 122.857 121.976 0.881 18015 1746 1 6 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.113 0.770 18015 1747 1 6 . 1 1 51 51 TRP H H 48 8.430 8.430 8.401 0.029 18015 1748 1 6 . 1 1 52 52 PHE N N 49 118.314 118.314 118.500 -0.186 18015 1749 1 6 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.792 -0.077 18015 1750 1 6 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.668 0.940 18015 1751 1 6 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.192 0.264 18015 1752 1 6 . 1 1 52 52 PHE H H 49 9.045 9.045 8.755 0.290 18015 1753 1 6 . 1 1 53 53 LYS N N 50 121.307 121.307 118.976 2.331 18015 1754 1 6 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.799 0.143 18015 1755 1 6 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.945 0.722 18015 1756 1 6 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.990 1.223 18015 1757 1 6 . 1 1 53 53 LYS H H 50 7.915 7.915 8.398 -0.483 18015 1758 1 6 . 1 1 54 54 ASN N N 51 119.377 119.377 119.548 -0.171 18015 1759 1 6 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.344 0.162 18015 1760 1 6 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.631 0.537 18015 1761 1 6 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.899 0.334 18015 1762 1 6 . 1 1 54 54 ASN H H 51 8.669 8.669 8.298 0.371 18015 1763 1 6 . 1 1 55 55 ARG N N 52 125.530 125.530 120.550 4.980 18015 1764 1 6 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.535 0.147 18015 1765 1 6 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.731 -1.156 18015 1766 1 6 . 1 1 55 55 ARG H H 52 8.851 8.851 7.849 1.002 18015 1767 1 6 . 1 1 56 56 ARG N N 53 120.194 120.194 118.453 1.741 18015 1768 1 6 . 1 1 56 56 ARG HA H 53 4.299 4.299 3.994 0.305 18015 1769 1 6 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.592 2.671 18015 1770 1 6 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.116 1.363 18015 1771 1 6 . 1 1 56 56 ARG H H 53 8.620 8.620 7.605 1.015 18015 1772 1 6 . 1 1 57 57 ALA N N 54 121.998 121.998 121.717 0.281 18015 1773 1 6 . 1 1 57 57 ALA HA H 54 4.340 4.340 3.845 0.495 18015 1774 1 6 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.055 1.580 18015 1775 1 6 . 1 1 57 57 ALA CB C 54 17.490 17.490 17.944 -0.454 18015 1776 1 6 . 1 1 57 57 ALA H H 54 7.386 7.386 8.183 -0.797 18015 1777 1 6 . 1 1 58 58 LYS N N 55 120.111 120.111 120.022 0.089 18015 1778 1 6 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.935 0.131 18015 1779 1 6 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.585 0.039 18015 1780 1 6 . 1 1 58 58 LYS H H 55 7.716 7.716 7.930 -0.214 18015 1781 1 6 . 1 1 59 59 TRP N N 56 121.249 121.249 118.352 2.897 18015 1782 1 6 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.440 0.131 18015 1783 1 6 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.320 1.103 18015 1784 1 6 . 1 1 59 59 TRP CB C 56 29.651 29.651 28.622 1.029 18015 1785 1 6 . 1 1 59 59 TRP H H 56 8.362 8.362 7.597 0.765 18015 1786 1 6 . 1 1 60 60 ARG N N 57 117.543 117.543 120.163 -2.620 18015 1787 1 6 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.985 -0.107 18015 1788 1 6 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.264 1.443 18015 1789 1 6 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.640 1.652 18015 1790 1 6 . 1 1 60 60 ARG H H 57 8.464 8.464 7.116 1.348 18015 1791 1 6 . 1 1 61 61 LYS N N 58 118.252 118.252 120.528 -2.276 18015 1792 1 6 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.159 0.049 18015 1793 1 6 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.976 -0.677 18015 1794 1 6 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.539 0.593 18015 1795 1 6 . 1 1 61 61 LYS H H 58 7.770 7.770 8.214 -0.444 18015 1796 1 6 . 1 1 62 62 ARG N N 59 116.854 116.854 117.523 -0.669 18015 1797 1 6 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.224 0.179 18015 1798 1 6 . 1 1 62 62 ARG CA C 59 56.217 56.217 56.424 -0.207 18015 1799 1 6 . 1 1 62 62 ARG CB C 59 31.201 31.201 30.549 0.652 18015 1800 1 6 . 1 1 62 62 ARG H H 59 7.978 7.978 7.946 0.032 18015 1801 1 6 . 1 1 63 63 GLU N N 60 119.450 119.450 115.562 3.888 18015 1802 1 6 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.155 -0.172 18015 1803 1 6 . 1 1 63 63 GLU CA C 60 56.923 56.923 57.250 -0.327 18015 1804 1 6 . 1 1 63 63 GLU CB C 60 30.001 30.001 28.459 1.542 18015 1805 1 6 . 1 1 63 63 GLU H H 60 8.078 8.078 7.589 0.489 18015 1806 1 6 . 1 1 64 64 GLU N N 61 120.134 120.134 121.951 -1.817 18015 1807 1 6 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.241 -0.467 18015 1808 1 6 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.535 -1.085 18015 1809 1 6 . 1 1 64 64 GLU CB C 61 29.897 29.897 30.242 -0.345 18015 1810 1 6 . 1 1 64 64 GLU H H 61 7.889 7.889 8.608 -0.719 18015 1811 1 6 . 1 1 65 65 PHE N N 62 118.794 118.794 112.861 5.933 18015 1812 1 6 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.733 -0.155 18015 1813 1 6 . 1 1 65 65 PHE CA C 62 56.961 56.961 56.828 0.133 18015 1814 1 6 . 1 1 65 65 PHE CB C 62 39.297 39.297 38.845 0.452 18015 1815 1 6 . 1 1 65 65 PHE H H 62 7.731 7.731 7.492 0.239 18015 1816 1 6 . 1 1 66 66 ILE N N 63 123.529 123.529 123.426 0.103 18015 1817 1 6 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.113 0.017 18015 1818 1 6 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.379 -0.445 18015 1819 1 6 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.556 0.987 18015 1820 1 6 . 1 1 66 66 ILE H H 63 7.802 7.802 7.411 0.391 18015 1821 1 6 . 1 1 67 67 VAL N N 64 125.799 125.799 124.287 1.512 18015 1822 1 6 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.326 -0.129 18015 1823 1 6 . 1 1 67 67 VAL CA C 64 62.225 62.225 61.381 0.844 18015 1824 1 6 . 1 1 67 67 VAL CB C 64 32.811 32.811 33.699 -0.888 18015 1825 1 6 . 1 1 67 67 VAL H H 64 8.292 8.292 8.171 0.121 18015 1826 1 6 . 1 1 68 68 THR N N 65 118.825 118.825 118.048 0.777 18015 1827 1 6 . 1 1 68 68 THR HA H 65 4.440 4.440 4.593 -0.153 18015 1828 1 6 . 1 1 68 68 THR CA C 65 61.236 61.236 61.591 -0.355 18015 1829 1 6 . 1 1 68 68 THR CB C 65 70.114 70.114 69.392 0.721 18015 1830 1 6 . 1 1 68 68 THR H H 65 8.353 8.353 8.410 -0.057 18015 1831 1 7 . 1 1 5 5 ARG N N 2 123.855 123.855 121.530 2.325 18015 1832 1 7 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.334 0.141 18015 1833 1 7 . 1 1 5 5 ARG CA C 2 55.904 55.904 56.005 -0.102 18015 1834 1 7 . 1 1 5 5 ARG H H 2 8.472 8.472 8.060 0.412 18015 1835 1 7 . 1 1 6 6 ARG N N 3 125.147 125.147 122.610 2.537 18015 1836 1 7 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.458 -0.174 18015 1837 1 7 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.820 0.565 18015 1838 1 7 . 1 1 6 6 ARG H H 3 9.078 9.078 8.435 0.643 18015 1839 1 7 . 1 1 7 7 GLN N N 4 122.134 122.134 118.078 4.056 18015 1840 1 7 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.071 0.230 18015 1841 1 7 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.334 -0.763 18015 1842 1 7 . 1 1 7 7 GLN CB C 4 29.550 29.550 28.610 0.940 18015 1843 1 7 . 1 1 7 7 GLN H H 4 8.475 8.475 8.329 0.146 18015 1844 1 7 . 1 1 8 8 ARG N N 5 124.132 124.132 118.329 5.803 18015 1845 1 7 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.065 0.220 18015 1846 1 7 . 1 1 8 8 ARG H H 5 8.631 8.631 8.660 -0.029 18015 1847 1 7 . 1 1 9 9 THR N N 6 125.523 125.523 113.171 12.352 18015 1848 1 7 . 1 1 9 9 THR HA H 6 3.831 3.831 4.322 -0.491 18015 1849 1 7 . 1 1 9 9 THR CA C 6 64.978 64.978 61.678 3.300 18015 1850 1 7 . 1 1 9 9 THR CB C 6 69.109 69.109 69.653 -0.544 18015 1851 1 7 . 1 1 9 9 THR H H 6 8.036 8.036 8.121 -0.085 18015 1852 1 7 . 1 1 10 10 HIS N N 7 125.571 125.571 120.023 5.548 18015 1853 1 7 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.454 0.307 18015 1854 1 7 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.700 -0.931 18015 1855 1 7 . 1 1 10 10 HIS H H 7 8.690 8.690 7.954 0.736 18015 1856 1 7 . 1 1 11 11 PHE N N 8 126.330 126.330 118.838 7.492 18015 1857 1 7 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.262 -0.428 18015 1858 1 7 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.943 -1.410 18015 1859 1 7 . 1 1 11 11 PHE H H 8 8.703 8.703 7.516 1.187 18015 1860 1 7 . 1 1 12 12 THR N N 9 113.642 113.642 113.305 0.337 18015 1861 1 7 . 1 1 12 12 THR HA H 9 4.542 4.542 4.919 -0.377 18015 1862 1 7 . 1 1 12 12 THR CA C 9 60.379 60.379 59.679 0.700 18015 1863 1 7 . 1 1 12 12 THR H H 9 9.165 9.165 8.898 0.267 18015 1864 1 7 . 1 1 13 13 SER N N 10 116.602 116.602 117.868 -1.266 18015 1865 1 7 . 1 1 13 13 SER HA H 10 4.187 4.187 4.110 0.077 18015 1866 1 7 . 1 1 13 13 SER CA C 10 61.887 61.887 61.726 0.161 18015 1867 1 7 . 1 1 13 13 SER CB C 10 62.286 62.286 62.838 -0.552 18015 1868 1 7 . 1 1 13 13 SER H H 10 9.188 9.188 8.914 0.274 18015 1869 1 7 . 1 1 14 14 GLN N N 11 120.969 120.969 120.526 0.443 18015 1870 1 7 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.031 0.022 18015 1871 1 7 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.494 1.084 18015 1872 1 7 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.094 -0.180 18015 1873 1 7 . 1 1 14 14 GLN H H 11 8.415 8.415 8.690 -0.275 18015 1874 1 7 . 1 1 15 15 GLN N N 12 119.255 119.255 118.440 0.815 18015 1875 1 7 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.019 -0.186 18015 1876 1 7 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.559 0.877 18015 1877 1 7 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.998 -1.033 18015 1878 1 7 . 1 1 15 15 GLN H H 12 7.799 7.799 7.422 0.377 18015 1879 1 7 . 1 1 16 16 LEU N N 13 117.041 117.041 120.888 -3.847 18015 1880 1 7 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.570 0.046 18015 1881 1 7 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.940 -0.047 18015 1882 1 7 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.446 0.160 18015 1883 1 7 . 1 1 16 16 LEU H H 13 8.299 8.299 7.963 0.336 18015 1884 1 7 . 1 1 17 17 GLN N N 14 118.025 118.025 117.200 0.825 18015 1885 1 7 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.214 -0.222 18015 1886 1 7 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.474 0.683 18015 1887 1 7 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.285 0.222 18015 1888 1 7 . 1 1 17 17 GLN H H 14 8.160 8.160 8.093 0.067 18015 1889 1 7 . 1 1 18 18 GLU N N 15 119.789 119.789 119.494 0.295 18015 1890 1 7 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.309 -0.128 18015 1891 1 7 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.538 1.000 18015 1892 1 7 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.782 -0.332 18015 1893 1 7 . 1 1 18 18 GLU H H 15 7.582 7.582 7.564 0.018 18015 1894 1 7 . 1 1 19 19 LEU N N 16 123.483 123.483 120.779 2.704 18015 1895 1 7 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.809 -0.296 18015 1896 1 7 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.678 -0.108 18015 1897 1 7 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.900 -3.034 18015 1898 1 7 . 1 1 19 19 LEU H H 16 8.313 8.313 7.286 1.027 18015 1899 1 7 . 1 1 20 20 GLU N N 17 119.146 119.146 118.583 0.563 18015 1900 1 7 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.156 0.249 18015 1901 1 7 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.468 -0.537 18015 1902 1 7 . 1 1 20 20 GLU H H 17 8.257 8.257 8.514 -0.257 18015 1903 1 7 . 1 1 21 21 ALA N N 18 120.611 120.611 122.681 -2.070 18015 1904 1 7 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.162 0.018 18015 1905 1 7 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.404 0.780 18015 1906 1 7 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.376 -0.362 18015 1907 1 7 . 1 1 21 21 ALA H H 18 7.954 7.954 7.867 0.087 18015 1908 1 7 . 1 1 22 22 THR N N 19 113.517 113.517 115.334 -1.817 18015 1909 1 7 . 1 1 22 22 THR HA H 19 4.103 4.103 4.267 -0.164 18015 1910 1 7 . 1 1 22 22 THR CA C 19 66.956 66.956 66.049 0.907 18015 1911 1 7 . 1 1 22 22 THR CB C 19 68.338 68.338 69.384 -1.046 18015 1912 1 7 . 1 1 22 22 THR H H 19 7.940 7.940 7.852 0.088 18015 1913 1 7 . 1 1 23 23 PHE N N 20 125.431 125.431 122.173 3.258 18015 1914 1 7 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.842 -0.469 18015 1915 1 7 . 1 1 23 23 PHE CA C 20 61.742 61.742 59.917 1.825 18015 1916 1 7 . 1 1 23 23 PHE H H 20 8.839 8.839 8.274 0.565 18015 1917 1 7 . 1 1 24 24 GLN N N 21 112.304 112.304 116.169 -3.865 18015 1918 1 7 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.077 -0.271 18015 1919 1 7 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.361 0.045 18015 1920 1 7 . 1 1 24 24 GLN CB C 21 28.151 28.151 29.032 -0.881 18015 1921 1 7 . 1 1 24 24 GLN H H 21 7.921 7.921 8.148 -0.227 18015 1922 1 7 . 1 1 25 25 ARG N N 22 116.707 116.707 115.421 1.286 18015 1923 1 7 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.492 -0.128 18015 1924 1 7 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.275 0.870 18015 1925 1 7 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.745 -1.180 18015 1926 1 7 . 1 1 25 25 ARG H H 22 7.408 7.408 8.104 -0.696 18015 1927 1 7 . 1 1 26 26 ASN N N 23 119.274 119.274 119.363 -0.089 18015 1928 1 7 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.927 -0.444 18015 1929 1 7 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.747 0.087 18015 1930 1 7 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.382 -1.819 18015 1931 1 7 . 1 1 26 26 ASN H H 23 8.251 8.251 8.340 -0.089 18015 1932 1 7 . 1 1 27 27 ARG N N 24 121.408 121.408 122.041 -0.633 18015 1933 1 7 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.484 -0.684 18015 1934 1 7 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.244 0.402 18015 1935 1 7 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.646 0.357 18015 1936 1 7 . 1 1 27 27 ARG H H 24 8.400 8.400 8.770 -0.370 18015 1937 1 7 . 1 1 28 28 TYR N N 25 113.992 113.992 119.075 -5.083 18015 1938 1 7 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.968 -0.310 18015 1939 1 7 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.743 0.948 18015 1940 1 7 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.872 1.263 18015 1941 1 7 . 1 1 28 28 TYR H H 25 7.734 7.734 8.291 -0.557 18015 1942 1 7 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.355 0.056 18015 1943 1 7 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.765 -0.100 18015 1944 1 7 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.497 -1.444 18015 1945 1 7 . 1 1 30 30 ASP N N 27 124.189 124.189 123.713 0.476 18015 1946 1 7 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.829 -0.335 18015 1947 1 7 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.281 -0.751 18015 1948 1 7 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.309 -2.736 18015 1949 1 7 . 1 1 30 30 ASP H H 27 8.467 8.467 7.930 0.537 18015 1950 1 7 . 1 1 31 31 MET N N 28 119.367 119.367 119.241 0.126 18015 1951 1 7 . 1 1 31 31 MET HA H 28 3.861 3.861 4.105 -0.244 18015 1952 1 7 . 1 1 31 31 MET CA C 28 60.361 60.361 59.058 1.303 18015 1953 1 7 . 1 1 31 31 MET CB C 28 32.022 32.022 32.345 -0.323 18015 1954 1 7 . 1 1 31 31 MET H H 28 8.687 8.687 8.543 0.144 18015 1955 1 7 . 1 1 32 32 SER N N 29 113.279 113.279 113.813 -0.534 18015 1956 1 7 . 1 1 32 32 SER HA H 29 4.245 4.245 4.398 -0.153 18015 1957 1 7 . 1 1 32 32 SER CA C 29 61.815 61.815 60.269 1.546 18015 1958 1 7 . 1 1 32 32 SER CB C 29 62.447 62.447 63.072 -0.625 18015 1959 1 7 . 1 1 32 32 SER H H 29 8.387 8.387 8.292 0.095 18015 1960 1 7 . 1 1 33 33 THR N N 30 120.829 120.829 119.627 1.202 18015 1961 1 7 . 1 1 33 33 THR HA H 30 4.004 4.004 4.062 -0.058 18015 1962 1 7 . 1 1 33 33 THR CA C 30 66.957 66.957 65.926 1.031 18015 1963 1 7 . 1 1 33 33 THR CB C 30 67.626 67.626 68.569 -0.943 18015 1964 1 7 . 1 1 33 33 THR H H 30 8.406 8.406 7.636 0.770 18015 1965 1 7 . 1 1 34 34 ARG N N 31 120.944 120.944 120.670 0.274 18015 1966 1 7 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.959 -0.089 18015 1967 1 7 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.545 1.613 18015 1968 1 7 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.102 2.353 18015 1969 1 7 . 1 1 34 34 ARG H H 31 8.955 8.955 8.650 0.305 18015 1970 1 7 . 1 1 35 35 GLU N N 32 118.711 118.711 118.950 -0.239 18015 1971 1 7 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.036 -0.043 18015 1972 1 7 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.063 0.768 18015 1973 1 7 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.928 0.305 18015 1974 1 7 . 1 1 35 35 GLU H H 32 8.608 8.608 7.871 0.737 18015 1975 1 7 . 1 1 36 36 GLU N N 33 121.133 121.133 119.884 1.249 18015 1976 1 7 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.677 0.320 18015 1977 1 7 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.516 1.176 18015 1978 1 7 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.387 -0.035 18015 1979 1 7 . 1 1 36 36 GLU H H 33 7.639 7.639 7.441 0.198 18015 1980 1 7 . 1 1 37 37 ILE N N 34 119.761 119.761 119.982 -0.221 18015 1981 1 7 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.737 -0.106 18015 1982 1 7 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.557 -0.829 18015 1983 1 7 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.604 0.927 18015 1984 1 7 . 1 1 37 37 ILE H H 34 8.415 8.415 7.644 0.771 18015 1985 1 7 . 1 1 38 38 ALA N N 35 124.272 124.272 121.170 3.102 18015 1986 1 7 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.247 -0.566 18015 1987 1 7 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.158 1.551 18015 1988 1 7 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.399 -1.448 18015 1989 1 7 . 1 1 38 38 ALA H H 35 8.551 8.551 7.774 0.777 18015 1990 1 7 . 1 1 39 39 VAL N N 36 118.330 118.330 119.465 -1.135 18015 1991 1 7 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.610 0.208 18015 1992 1 7 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.761 -0.277 18015 1993 1 7 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.161 0.424 18015 1994 1 7 . 1 1 39 39 VAL H H 36 7.791 7.791 7.333 0.458 18015 1995 1 7 . 1 1 40 40 TRP N N 37 120.237 120.237 121.150 -0.913 18015 1996 1 7 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.362 0.269 18015 1997 1 7 . 1 1 40 40 TRP CA C 37 59.100 59.100 59.226 -0.126 18015 1998 1 7 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.452 0.363 18015 1999 1 7 . 1 1 40 40 TRP H H 37 8.109 8.109 7.907 0.202 18015 2000 1 7 . 1 1 41 41 THR N N 38 104.809 104.809 107.313 -2.504 18015 2001 1 7 . 1 1 41 41 THR HA H 38 4.374 4.374 4.360 0.014 18015 2002 1 7 . 1 1 41 41 THR CA C 38 61.723 61.723 61.963 -0.240 18015 2003 1 7 . 1 1 41 41 THR CB C 38 71.088 71.088 69.094 1.994 18015 2004 1 7 . 1 1 41 41 THR H H 38 8.011 8.011 8.121 -0.110 18015 2005 1 7 . 1 1 42 42 ASN N N 39 118.978 118.978 118.940 0.038 18015 2006 1 7 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.408 0.126 18015 2007 1 7 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.108 0.799 18015 2008 1 7 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.638 -0.353 18015 2009 1 7 . 1 1 42 42 ASN H H 39 7.925 7.925 7.714 0.211 18015 2010 1 7 . 1 1 43 43 LEU N N 40 120.124 120.124 119.582 0.542 18015 2011 1 7 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.719 0.326 18015 2012 1 7 . 1 1 43 43 LEU CA C 40 53.068 53.068 52.885 0.183 18015 2013 1 7 . 1 1 43 43 LEU CB C 40 47.111 47.111 44.510 2.601 18015 2014 1 7 . 1 1 43 43 LEU H H 40 8.635 8.635 8.032 0.603 18015 2015 1 7 . 1 1 44 44 THR N N 41 106.690 106.690 109.480 -2.790 18015 2016 1 7 . 1 1 44 44 THR HA H 41 4.715 4.715 4.539 0.176 18015 2017 1 7 . 1 1 44 44 THR CA C 41 59.511 59.511 59.676 -0.165 18015 2018 1 7 . 1 1 44 44 THR CB C 41 71.419 71.419 70.907 0.512 18015 2019 1 7 . 1 1 44 44 THR H H 41 7.081 7.081 7.916 -0.835 18015 2020 1 7 . 1 1 45 45 GLU N N 42 124.087 124.087 123.283 0.804 18015 2021 1 7 . 1 1 45 45 GLU HA H 42 3.630 3.630 4.004 -0.374 18015 2022 1 7 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.369 1.164 18015 2023 1 7 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.424 -1.008 18015 2024 1 7 . 1 1 45 45 GLU H H 42 9.452 9.452 8.967 0.485 18015 2025 1 7 . 1 1 46 46 ALA N N 43 119.687 119.687 121.569 -1.882 18015 2026 1 7 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.154 -0.144 18015 2027 1 7 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.888 0.731 18015 2028 1 7 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.127 0.472 18015 2029 1 7 . 1 1 46 46 ALA H H 43 8.467 8.467 8.263 0.204 18015 2030 1 7 . 1 1 47 47 ARG N N 44 116.856 116.856 118.627 -1.771 18015 2031 1 7 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.198 0.115 18015 2032 1 7 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.760 1.274 18015 2033 1 7 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.651 1.834 18015 2034 1 7 . 1 1 47 47 ARG H H 44 7.657 7.657 7.579 0.078 18015 2035 1 7 . 1 1 48 48 VAL N N 45 120.046 120.046 121.224 -1.178 18015 2036 1 7 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.713 0.051 18015 2037 1 7 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.813 0.495 18015 2038 1 7 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.349 1.186 18015 2039 1 7 . 1 1 48 48 VAL H H 45 8.008 8.008 8.100 -0.092 18015 2040 1 7 . 1 1 49 49 ARG N N 46 121.544 121.544 120.403 1.141 18015 2041 1 7 . 1 1 49 49 ARG HA H 46 3.934 3.934 3.997 -0.063 18015 2042 1 7 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.104 0.504 18015 2043 1 7 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.231 0.338 18015 2044 1 7 . 1 1 49 49 ARG H H 46 9.432 9.432 8.170 1.262 18015 2045 1 7 . 1 1 50 50 VAL N N 47 120.747 120.747 119.027 1.720 18015 2046 1 7 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.839 -0.197 18015 2047 1 7 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.159 -0.072 18015 2048 1 7 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.540 0.927 18015 2049 1 7 . 1 1 50 50 VAL H H 47 8.103 8.103 8.315 -0.212 18015 2050 1 7 . 1 1 51 51 TRP N N 48 122.857 122.857 121.917 0.940 18015 2051 1 7 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.196 0.687 18015 2052 1 7 . 1 1 51 51 TRP H H 48 8.430 8.430 8.184 0.246 18015 2053 1 7 . 1 1 52 52 PHE N N 49 118.314 118.314 118.531 -0.217 18015 2054 1 7 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.788 -0.072 18015 2055 1 7 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.691 0.917 18015 2056 1 7 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.143 0.313 18015 2057 1 7 . 1 1 52 52 PHE H H 49 9.045 9.045 8.768 0.277 18015 2058 1 7 . 1 1 53 53 LYS N N 50 121.307 121.307 119.124 2.183 18015 2059 1 7 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.861 0.081 18015 2060 1 7 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.166 0.501 18015 2061 1 7 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.017 1.196 18015 2062 1 7 . 1 1 53 53 LYS H H 50 7.915 7.915 8.697 -0.782 18015 2063 1 7 . 1 1 54 54 ASN N N 51 119.377 119.377 118.818 0.559 18015 2064 1 7 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.432 0.074 18015 2065 1 7 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.444 0.723 18015 2066 1 7 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.844 0.389 18015 2067 1 7 . 1 1 54 54 ASN H H 51 8.669 8.669 8.208 0.461 18015 2068 1 7 . 1 1 55 55 ARG N N 52 125.530 125.530 120.758 4.772 18015 2069 1 7 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.802 -0.120 18015 2070 1 7 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.094 -1.519 18015 2071 1 7 . 1 1 55 55 ARG H H 52 8.851 8.851 7.835 1.016 18015 2072 1 7 . 1 1 56 56 ARG N N 53 120.194 120.194 120.086 0.108 18015 2073 1 7 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.099 0.200 18015 2074 1 7 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.081 2.182 18015 2075 1 7 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.173 1.306 18015 2076 1 7 . 1 1 56 56 ARG H H 53 8.620 8.620 8.219 0.401 18015 2077 1 7 . 1 1 57 57 ALA N N 54 121.998 121.998 121.684 0.314 18015 2078 1 7 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.139 0.201 18015 2079 1 7 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.273 0.362 18015 2080 1 7 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.080 -0.590 18015 2081 1 7 . 1 1 57 57 ALA H H 54 7.386 7.386 8.590 -1.204 18015 2082 1 7 . 1 1 58 58 LYS N N 55 120.111 120.111 118.887 1.224 18015 2083 1 7 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.006 0.060 18015 2084 1 7 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.034 0.590 18015 2085 1 7 . 1 1 58 58 LYS H H 55 7.716 7.716 7.600 0.116 18015 2086 1 7 . 1 1 59 59 TRP N N 56 121.249 121.249 119.947 1.302 18015 2087 1 7 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.400 0.171 18015 2088 1 7 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.134 0.289 18015 2089 1 7 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.854 -0.203 18015 2090 1 7 . 1 1 59 59 TRP H H 56 8.362 8.362 8.006 0.356 18015 2091 1 7 . 1 1 60 60 ARG N N 57 117.543 117.543 116.798 0.745 18015 2092 1 7 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.537 -0.659 18015 2093 1 7 . 1 1 60 60 ARG CA C 57 59.707 59.707 57.586 2.121 18015 2094 1 7 . 1 1 60 60 ARG CB C 57 31.292 31.292 31.580 -0.288 18015 2095 1 7 . 1 1 60 60 ARG H H 57 8.464 8.464 7.941 0.523 18015 2096 1 7 . 1 1 61 61 LYS N N 58 118.252 118.252 120.764 -2.512 18015 2097 1 7 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.141 0.067 18015 2098 1 7 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.998 -0.699 18015 2099 1 7 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.593 0.539 18015 2100 1 7 . 1 1 61 61 LYS H H 58 7.770 7.770 8.477 -0.707 18015 2101 1 7 . 1 1 62 62 ARG N N 59 116.854 116.854 118.160 -1.306 18015 2102 1 7 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.260 0.143 18015 2103 1 7 . 1 1 62 62 ARG CA C 59 56.217 56.217 55.041 1.176 18015 2104 1 7 . 1 1 62 62 ARG CB C 59 31.201 31.201 30.394 0.807 18015 2105 1 7 . 1 1 62 62 ARG H H 59 7.978 7.978 7.799 0.179 18015 2106 1 7 . 1 1 63 63 GLU N N 60 119.450 119.450 117.417 2.033 18015 2107 1 7 . 1 1 63 63 GLU HA H 60 3.983 3.983 3.841 0.142 18015 2108 1 7 . 1 1 63 63 GLU CA C 60 56.923 56.923 57.466 -0.543 18015 2109 1 7 . 1 1 63 63 GLU CB C 60 30.001 30.001 28.102 1.899 18015 2110 1 7 . 1 1 63 63 GLU H H 60 8.078 8.078 7.307 0.771 18015 2111 1 7 . 1 1 64 64 GLU N N 61 120.134 120.134 122.073 -1.939 18015 2112 1 7 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.193 -0.419 18015 2113 1 7 . 1 1 64 64 GLU CA C 61 57.450 57.450 56.947 0.503 18015 2114 1 7 . 1 1 64 64 GLU CB C 61 29.897 29.897 30.205 -0.308 18015 2115 1 7 . 1 1 64 64 GLU H H 61 7.889 7.889 8.469 -0.580 18015 2116 1 7 . 1 1 65 65 PHE N N 62 118.794 118.794 117.885 0.909 18015 2117 1 7 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.390 0.188 18015 2118 1 7 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.789 -0.828 18015 2119 1 7 . 1 1 65 65 PHE CB C 62 39.297 39.297 38.769 0.528 18015 2120 1 7 . 1 1 65 65 PHE H H 62 7.731 7.731 7.981 -0.250 18015 2121 1 7 . 1 1 66 66 ILE N N 63 123.529 123.529 120.268 3.261 18015 2122 1 7 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.555 0.575 18015 2123 1 7 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.648 -0.714 18015 2124 1 7 . 1 1 66 66 ILE CB C 63 38.543 38.543 36.554 1.989 18015 2125 1 7 . 1 1 66 66 ILE H H 63 7.802 7.802 7.189 0.613 18015 2126 1 7 . 1 1 67 67 VAL N N 64 125.799 125.799 127.247 -1.448 18015 2127 1 7 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.189 0.008 18015 2128 1 7 . 1 1 67 67 VAL CA C 64 62.225 62.225 63.666 -1.441 18015 2129 1 7 . 1 1 67 67 VAL CB C 64 32.811 32.811 32.116 0.695 18015 2130 1 7 . 1 1 67 67 VAL H H 64 8.292 8.292 8.605 -0.313 18015 2131 1 7 . 1 1 68 68 THR N N 65 118.825 118.825 116.104 2.721 18015 2132 1 7 . 1 1 68 68 THR HA H 65 4.440 4.440 4.483 -0.043 18015 2133 1 7 . 1 1 68 68 THR CA C 65 61.236 61.236 62.014 -0.778 18015 2134 1 7 . 1 1 68 68 THR CB C 65 70.114 70.114 69.543 0.571 18015 2135 1 7 . 1 1 68 68 THR H H 65 8.353 8.353 8.346 0.007 18015 2136 1 8 . 1 1 5 5 ARG N N 2 123.855 123.855 122.841 1.014 18015 2137 1 8 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.541 -0.066 18015 2138 1 8 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.770 0.134 18015 2139 1 8 . 1 1 5 5 ARG H H 2 8.472 8.472 8.488 -0.016 18015 2140 1 8 . 1 1 6 6 ARG N N 3 125.147 125.147 120.866 4.281 18015 2141 1 8 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.575 -0.291 18015 2142 1 8 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.294 1.091 18015 2143 1 8 . 1 1 6 6 ARG H H 3 9.078 9.078 8.436 0.642 18015 2144 1 8 . 1 1 7 7 GLN N N 4 122.134 122.134 121.434 0.700 18015 2145 1 8 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.585 -0.284 18015 2146 1 8 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.592 -0.021 18015 2147 1 8 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.764 -0.214 18015 2148 1 8 . 1 1 7 7 GLN H H 4 8.475 8.475 8.476 -0.001 18015 2149 1 8 . 1 1 8 8 ARG N N 5 124.132 124.132 120.645 3.487 18015 2150 1 8 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.549 -0.264 18015 2151 1 8 . 1 1 8 8 ARG H H 5 8.631 8.631 8.468 0.163 18015 2152 1 8 . 1 1 9 9 THR N N 6 125.523 125.523 113.758 11.765 18015 2153 1 8 . 1 1 9 9 THR HA H 6 3.831 3.831 4.178 -0.347 18015 2154 1 8 . 1 1 9 9 THR CA C 6 64.978 64.978 63.091 1.887 18015 2155 1 8 . 1 1 9 9 THR CB C 6 69.109 69.109 68.417 0.692 18015 2156 1 8 . 1 1 9 9 THR H H 6 8.036 8.036 8.500 -0.464 18015 2157 1 8 . 1 1 10 10 HIS N N 7 125.571 125.571 121.462 4.109 18015 2158 1 8 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.425 0.336 18015 2159 1 8 . 1 1 10 10 HIS CB C 7 28.769 28.769 27.500 1.269 18015 2160 1 8 . 1 1 10 10 HIS H H 7 8.690 8.690 8.073 0.617 18015 2161 1 8 . 1 1 11 11 PHE N N 8 126.330 126.330 122.101 4.229 18015 2162 1 8 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.275 -0.441 18015 2163 1 8 . 1 1 11 11 PHE CB C 8 40.533 40.533 42.019 -1.486 18015 2164 1 8 . 1 1 11 11 PHE H H 8 8.703 8.703 7.732 0.971 18015 2165 1 8 . 1 1 12 12 THR N N 9 113.642 113.642 114.579 -0.937 18015 2166 1 8 . 1 1 12 12 THR HA H 9 4.542 4.542 4.794 -0.252 18015 2167 1 8 . 1 1 12 12 THR CA C 9 60.379 60.379 60.174 0.205 18015 2168 1 8 . 1 1 12 12 THR H H 9 9.165 9.165 8.914 0.251 18015 2169 1 8 . 1 1 13 13 SER N N 10 116.602 116.602 117.998 -1.396 18015 2170 1 8 . 1 1 13 13 SER HA H 10 4.187 4.187 4.131 0.056 18015 2171 1 8 . 1 1 13 13 SER CA C 10 61.887 61.887 62.207 -0.320 18015 2172 1 8 . 1 1 13 13 SER CB C 10 62.286 62.286 62.888 -0.602 18015 2173 1 8 . 1 1 13 13 SER H H 10 9.188 9.188 8.783 0.405 18015 2174 1 8 . 1 1 14 14 GLN N N 11 120.969 120.969 120.098 0.871 18015 2175 1 8 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.114 -0.061 18015 2176 1 8 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.212 1.366 18015 2177 1 8 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.116 -0.202 18015 2178 1 8 . 1 1 14 14 GLN H H 11 8.415 8.415 8.400 0.015 18015 2179 1 8 . 1 1 15 15 GLN N N 12 119.255 119.255 117.642 1.613 18015 2180 1 8 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.046 -0.213 18015 2181 1 8 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.526 0.910 18015 2182 1 8 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.357 -1.392 18015 2183 1 8 . 1 1 15 15 GLN H H 12 7.799 7.799 7.506 0.293 18015 2184 1 8 . 1 1 16 16 LEU N N 13 117.041 117.041 120.876 -3.835 18015 2185 1 8 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.628 -0.012 18015 2186 1 8 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.731 0.162 18015 2187 1 8 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.483 0.123 18015 2188 1 8 . 1 1 16 16 LEU H H 13 8.299 8.299 8.597 -0.298 18015 2189 1 8 . 1 1 17 17 GLN N N 14 118.025 118.025 116.388 1.637 18015 2190 1 8 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.071 -0.079 18015 2191 1 8 . 1 1 17 17 GLN CA C 14 59.157 59.157 57.896 1.261 18015 2192 1 8 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.216 0.291 18015 2193 1 8 . 1 1 17 17 GLN H H 14 8.160 8.160 7.988 0.172 18015 2194 1 8 . 1 1 18 18 GLU N N 15 119.789 119.789 118.261 1.528 18015 2195 1 8 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.468 -0.287 18015 2196 1 8 . 1 1 18 18 GLU CA C 15 58.538 58.538 56.703 1.835 18015 2197 1 8 . 1 1 18 18 GLU CB C 15 29.450 29.450 30.698 -1.248 18015 2198 1 8 . 1 1 18 18 GLU H H 15 7.582 7.582 7.698 -0.116 18015 2199 1 8 . 1 1 19 19 LEU N N 16 123.483 123.483 121.465 2.018 18015 2200 1 8 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.780 -0.267 18015 2201 1 8 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.601 -0.031 18015 2202 1 8 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.934 -3.068 18015 2203 1 8 . 1 1 19 19 LEU H H 16 8.313 8.313 7.647 0.666 18015 2204 1 8 . 1 1 20 20 GLU N N 17 119.146 119.146 118.897 0.249 18015 2205 1 8 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.158 0.247 18015 2206 1 8 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.553 -0.623 18015 2207 1 8 . 1 1 20 20 GLU H H 17 8.257 8.257 8.595 -0.338 18015 2208 1 8 . 1 1 21 21 ALA N N 18 120.611 120.611 120.511 0.100 18015 2209 1 8 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.237 -0.057 18015 2210 1 8 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.519 0.665 18015 2211 1 8 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.134 -0.120 18015 2212 1 8 . 1 1 21 21 ALA H H 18 7.954 7.954 8.340 -0.386 18015 2213 1 8 . 1 1 22 22 THR N N 19 113.517 113.517 114.334 -0.817 18015 2214 1 8 . 1 1 22 22 THR HA H 19 4.103 4.103 4.447 -0.344 18015 2215 1 8 . 1 1 22 22 THR CA C 19 66.956 66.956 65.331 1.625 18015 2216 1 8 . 1 1 22 22 THR CB C 19 68.338 68.338 69.778 -1.440 18015 2217 1 8 . 1 1 22 22 THR H H 19 7.940 7.940 7.420 0.520 18015 2218 1 8 . 1 1 23 23 PHE N N 20 125.431 125.431 123.738 1.693 18015 2219 1 8 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.752 -0.379 18015 2220 1 8 . 1 1 23 23 PHE CA C 20 61.742 61.742 61.072 0.671 18015 2221 1 8 . 1 1 23 23 PHE H H 20 8.839 8.839 8.526 0.313 18015 2222 1 8 . 1 1 24 24 GLN N N 21 112.304 112.304 116.795 -4.491 18015 2223 1 8 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.150 -0.344 18015 2224 1 8 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.929 -0.523 18015 2225 1 8 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.796 -0.645 18015 2226 1 8 . 1 1 24 24 GLN H H 21 7.921 7.921 8.210 -0.289 18015 2227 1 8 . 1 1 25 25 ARG N N 22 116.707 116.707 114.822 1.885 18015 2228 1 8 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.530 -0.166 18015 2229 1 8 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.081 1.064 18015 2230 1 8 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.776 -1.212 18015 2231 1 8 . 1 1 25 25 ARG H H 22 7.408 7.408 8.136 -0.728 18015 2232 1 8 . 1 1 26 26 ASN N N 23 119.274 119.274 119.081 0.193 18015 2233 1 8 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.882 -0.399 18015 2234 1 8 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.679 0.155 18015 2235 1 8 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.716 -2.153 18015 2236 1 8 . 1 1 26 26 ASN H H 23 8.251 8.251 8.302 -0.051 18015 2237 1 8 . 1 1 27 27 ARG N N 24 121.408 121.408 121.074 0.334 18015 2238 1 8 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.400 -0.600 18015 2239 1 8 . 1 1 27 27 ARG CA C 24 57.646 57.646 56.401 1.244 18015 2240 1 8 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.807 0.196 18015 2241 1 8 . 1 1 27 27 ARG H H 24 8.400 8.400 8.686 -0.286 18015 2242 1 8 . 1 1 28 28 TYR N N 25 113.992 113.992 118.587 -4.595 18015 2243 1 8 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.915 -0.257 18015 2244 1 8 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.124 0.567 18015 2245 1 8 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.501 1.634 18015 2246 1 8 . 1 1 28 28 TYR H H 25 7.734 7.734 8.219 -0.485 18015 2247 1 8 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.326 0.085 18015 2248 1 8 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.766 -0.101 18015 2249 1 8 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.182 -1.129 18015 2250 1 8 . 1 1 30 30 ASP N N 27 124.189 124.189 122.431 1.758 18015 2251 1 8 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.511 -0.017 18015 2252 1 8 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.688 -1.158 18015 2253 1 8 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.871 -2.298 18015 2254 1 8 . 1 1 30 30 ASP H H 27 8.467 8.467 8.519 -0.052 18015 2255 1 8 . 1 1 31 31 MET N N 28 119.367 119.367 122.939 -3.572 18015 2256 1 8 . 1 1 31 31 MET HA H 28 3.861 3.861 4.011 -0.150 18015 2257 1 8 . 1 1 31 31 MET CA C 28 60.361 60.361 58.618 1.743 18015 2258 1 8 . 1 1 31 31 MET CB C 28 32.022 32.022 32.379 -0.357 18015 2259 1 8 . 1 1 31 31 MET H H 28 8.687 8.687 8.554 0.133 18015 2260 1 8 . 1 1 32 32 SER N N 29 113.279 113.279 114.399 -1.120 18015 2261 1 8 . 1 1 32 32 SER HA H 29 4.245 4.245 4.259 -0.014 18015 2262 1 8 . 1 1 32 32 SER CA C 29 61.815 61.815 61.343 0.472 18015 2263 1 8 . 1 1 32 32 SER CB C 29 62.447 62.447 62.740 -0.293 18015 2264 1 8 . 1 1 32 32 SER H H 29 8.387 8.387 8.851 -0.464 18015 2265 1 8 . 1 1 33 33 THR N N 30 120.829 120.829 119.828 1.001 18015 2266 1 8 . 1 1 33 33 THR HA H 30 4.004 4.004 4.258 -0.254 18015 2267 1 8 . 1 1 33 33 THR CA C 30 66.957 66.957 66.118 0.839 18015 2268 1 8 . 1 1 33 33 THR CB C 30 67.626 67.626 68.745 -1.119 18015 2269 1 8 . 1 1 33 33 THR H H 30 8.406 8.406 7.623 0.783 18015 2270 1 8 . 1 1 34 34 ARG N N 31 120.944 120.944 121.414 -0.470 18015 2271 1 8 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.986 -0.116 18015 2272 1 8 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.942 1.216 18015 2273 1 8 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.183 2.272 18015 2274 1 8 . 1 1 34 34 ARG H H 31 8.955 8.955 8.522 0.433 18015 2275 1 8 . 1 1 35 35 GLU N N 32 118.711 118.711 119.099 -0.388 18015 2276 1 8 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.013 -0.020 18015 2277 1 8 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.214 0.617 18015 2278 1 8 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.913 0.320 18015 2279 1 8 . 1 1 35 35 GLU H H 32 8.608 8.608 8.578 0.030 18015 2280 1 8 . 1 1 36 36 GLU N N 33 121.133 121.133 120.272 0.861 18015 2281 1 8 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.625 0.372 18015 2282 1 8 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.430 1.262 18015 2283 1 8 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.459 -0.107 18015 2284 1 8 . 1 1 36 36 GLU H H 33 7.639 7.639 7.369 0.270 18015 2285 1 8 . 1 1 37 37 ILE N N 34 119.761 119.761 120.398 -0.637 18015 2286 1 8 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.631 0.000 18015 2287 1 8 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.653 -0.925 18015 2288 1 8 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.682 0.849 18015 2289 1 8 . 1 1 37 37 ILE H H 34 8.415 8.415 8.293 0.122 18015 2290 1 8 . 1 1 38 38 ALA N N 35 124.272 124.272 122.851 1.421 18015 2291 1 8 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.137 -0.456 18015 2292 1 8 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.850 0.859 18015 2293 1 8 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.419 -1.468 18015 2294 1 8 . 1 1 38 38 ALA H H 35 8.551 8.551 7.852 0.699 18015 2295 1 8 . 1 1 39 39 VAL N N 36 118.330 118.330 118.162 0.168 18015 2296 1 8 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.642 0.176 18015 2297 1 8 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.191 0.294 18015 2298 1 8 . 1 1 39 39 VAL CB C 36 31.585 31.585 30.841 0.744 18015 2299 1 8 . 1 1 39 39 VAL H H 36 7.791 7.791 7.472 0.319 18015 2300 1 8 . 1 1 40 40 TRP N N 37 120.237 120.237 120.113 0.124 18015 2301 1 8 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.406 0.225 18015 2302 1 8 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.757 0.343 18015 2303 1 8 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.584 0.232 18015 2304 1 8 . 1 1 40 40 TRP H H 37 8.109 8.109 7.771 0.338 18015 2305 1 8 . 1 1 41 41 THR N N 38 104.809 104.809 107.837 -3.028 18015 2306 1 8 . 1 1 41 41 THR HA H 38 4.374 4.374 4.326 0.048 18015 2307 1 8 . 1 1 41 41 THR CA C 38 61.723 61.723 62.519 -0.796 18015 2308 1 8 . 1 1 41 41 THR CB C 38 71.088 71.088 69.736 1.352 18015 2309 1 8 . 1 1 41 41 THR H H 38 8.011 8.011 8.038 -0.027 18015 2310 1 8 . 1 1 42 42 ASN N N 39 118.978 118.978 118.899 0.079 18015 2311 1 8 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.427 0.107 18015 2312 1 8 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.291 0.616 18015 2313 1 8 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.356 -0.071 18015 2314 1 8 . 1 1 42 42 ASN H H 39 7.925 7.925 7.998 -0.073 18015 2315 1 8 . 1 1 43 43 LEU N N 40 120.124 120.124 117.931 2.193 18015 2316 1 8 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.374 0.671 18015 2317 1 8 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.835 -1.767 18015 2318 1 8 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.100 4.011 18015 2319 1 8 . 1 1 43 43 LEU H H 40 8.635 8.635 7.785 0.850 18015 2320 1 8 . 1 1 44 44 THR N N 41 106.690 106.690 108.543 -1.853 18015 2321 1 8 . 1 1 44 44 THR HA H 41 4.715 4.715 4.531 0.184 18015 2322 1 8 . 1 1 44 44 THR CA C 41 59.511 59.511 59.552 -0.041 18015 2323 1 8 . 1 1 44 44 THR CB C 41 71.419 71.419 70.882 0.537 18015 2324 1 8 . 1 1 44 44 THR H H 41 7.081 7.081 7.903 -0.822 18015 2325 1 8 . 1 1 45 45 GLU N N 42 124.087 124.087 122.452 1.635 18015 2326 1 8 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.956 -0.326 18015 2327 1 8 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.431 1.102 18015 2328 1 8 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.294 -0.878 18015 2329 1 8 . 1 1 45 45 GLU H H 42 9.452 9.452 8.959 0.493 18015 2330 1 8 . 1 1 46 46 ALA N N 43 119.687 119.687 121.811 -2.124 18015 2331 1 8 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.156 -0.146 18015 2332 1 8 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.217 0.403 18015 2333 1 8 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.134 0.465 18015 2334 1 8 . 1 1 46 46 ALA H H 43 8.467 8.467 8.513 -0.046 18015 2335 1 8 . 1 1 47 47 ARG N N 44 116.856 116.856 118.232 -1.376 18015 2336 1 8 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.249 0.064 18015 2337 1 8 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.344 0.690 18015 2338 1 8 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.699 1.786 18015 2339 1 8 . 1 1 47 47 ARG H H 44 7.657 7.657 7.637 0.020 18015 2340 1 8 . 1 1 48 48 VAL N N 45 120.046 120.046 120.772 -0.726 18015 2341 1 8 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.893 -0.129 18015 2342 1 8 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.322 0.986 18015 2343 1 8 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.049 1.486 18015 2344 1 8 . 1 1 48 48 VAL H H 45 8.008 8.008 8.275 -0.267 18015 2345 1 8 . 1 1 49 49 ARG N N 46 121.544 121.544 120.754 0.790 18015 2346 1 8 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.081 -0.147 18015 2347 1 8 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.410 0.198 18015 2348 1 8 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.354 0.215 18015 2349 1 8 . 1 1 49 49 ARG H H 46 9.432 9.432 8.432 1.000 18015 2350 1 8 . 1 1 50 50 VAL N N 47 120.747 120.747 119.101 1.646 18015 2351 1 8 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.722 -0.080 18015 2352 1 8 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.538 0.549 18015 2353 1 8 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.651 0.816 18015 2354 1 8 . 1 1 50 50 VAL H H 47 8.103 8.103 8.484 -0.381 18015 2355 1 8 . 1 1 51 51 TRP N N 48 122.857 122.857 121.955 0.902 18015 2356 1 8 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.161 0.722 18015 2357 1 8 . 1 1 51 51 TRP H H 48 8.430 8.430 8.082 0.348 18015 2358 1 8 . 1 1 52 52 PHE N N 49 118.314 118.314 118.600 -0.286 18015 2359 1 8 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.980 -0.265 18015 2360 1 8 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.785 0.823 18015 2361 1 8 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.338 0.118 18015 2362 1 8 . 1 1 52 52 PHE H H 49 9.045 9.045 8.664 0.381 18015 2363 1 8 . 1 1 53 53 LYS N N 50 121.307 121.307 118.985 2.322 18015 2364 1 8 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.929 0.013 18015 2365 1 8 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.110 0.557 18015 2366 1 8 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.013 1.200 18015 2367 1 8 . 1 1 53 53 LYS H H 50 7.915 7.915 8.654 -0.739 18015 2368 1 8 . 1 1 54 54 ASN N N 51 119.377 119.377 119.150 0.227 18015 2369 1 8 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.442 0.064 18015 2370 1 8 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.603 0.565 18015 2371 1 8 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.950 0.283 18015 2372 1 8 . 1 1 54 54 ASN H H 51 8.669 8.669 8.060 0.609 18015 2373 1 8 . 1 1 55 55 ARG N N 52 125.530 125.530 120.203 5.327 18015 2374 1 8 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.544 0.138 18015 2375 1 8 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.929 -1.354 18015 2376 1 8 . 1 1 55 55 ARG H H 52 8.851 8.851 7.881 0.970 18015 2377 1 8 . 1 1 56 56 ARG N N 53 120.194 120.194 118.450 1.744 18015 2378 1 8 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.263 0.036 18015 2379 1 8 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.038 2.225 18015 2380 1 8 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.548 0.931 18015 2381 1 8 . 1 1 56 56 ARG H H 53 8.620 8.620 7.710 0.910 18015 2382 1 8 . 1 1 57 57 ALA N N 54 121.998 121.998 121.617 0.381 18015 2383 1 8 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.188 0.152 18015 2384 1 8 . 1 1 57 57 ALA CA C 54 55.635 55.635 53.473 2.162 18015 2385 1 8 . 1 1 57 57 ALA CB C 54 17.490 17.490 17.881 -0.391 18015 2386 1 8 . 1 1 57 57 ALA H H 54 7.386 7.386 8.579 -1.193 18015 2387 1 8 . 1 1 58 58 LYS N N 55 120.111 120.111 121.037 -0.926 18015 2388 1 8 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.937 0.129 18015 2389 1 8 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.084 0.540 18015 2390 1 8 . 1 1 58 58 LYS H H 55 7.716 7.716 7.838 -0.122 18015 2391 1 8 . 1 1 59 59 TRP N N 56 121.249 121.249 119.072 2.177 18015 2392 1 8 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.551 0.020 18015 2393 1 8 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.730 0.693 18015 2394 1 8 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.109 0.542 18015 2395 1 8 . 1 1 59 59 TRP H H 56 8.362 8.362 7.663 0.699 18015 2396 1 8 . 1 1 60 60 ARG N N 57 117.543 117.543 116.896 0.647 18015 2397 1 8 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.208 -0.330 18015 2398 1 8 . 1 1 60 60 ARG CA C 57 59.707 59.707 56.579 3.128 18015 2399 1 8 . 1 1 60 60 ARG CB C 57 31.292 31.292 30.227 1.065 18015 2400 1 8 . 1 1 60 60 ARG H H 57 8.464 8.464 7.406 1.058 18015 2401 1 8 . 1 1 61 61 LYS N N 58 118.252 118.252 118.458 -0.206 18015 2402 1 8 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.220 -0.012 18015 2403 1 8 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.111 0.188 18015 2404 1 8 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.922 0.209 18015 2405 1 8 . 1 1 61 61 LYS H H 58 7.770 7.770 8.156 -0.386 18015 2406 1 8 . 1 1 62 62 ARG N N 59 116.854 116.854 118.516 -1.662 18015 2407 1 8 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.400 0.003 18015 2408 1 8 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.479 -1.262 18015 2409 1 8 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.495 -0.294 18015 2410 1 8 . 1 1 62 62 ARG H H 59 7.978 7.978 8.219 -0.241 18015 2411 1 8 . 1 1 63 63 GLU N N 60 119.450 119.450 118.122 1.328 18015 2412 1 8 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.485 -0.502 18015 2413 1 8 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.514 1.409 18015 2414 1 8 . 1 1 63 63 GLU CB C 60 30.001 30.001 29.908 0.093 18015 2415 1 8 . 1 1 63 63 GLU H H 60 8.078 8.078 7.793 0.285 18015 2416 1 8 . 1 1 64 64 GLU N N 61 120.134 120.134 118.911 1.223 18015 2417 1 8 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.043 -0.269 18015 2418 1 8 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.421 -1.971 18015 2419 1 8 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.115 0.782 18015 2420 1 8 . 1 1 64 64 GLU H H 61 7.889 7.889 8.385 -0.496 18015 2421 1 8 . 1 1 65 65 PHE N N 62 118.794 118.794 109.941 8.853 18015 2422 1 8 . 1 1 65 65 PHE HA H 62 4.578 4.578 5.035 -0.457 18015 2423 1 8 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.030 -0.069 18015 2424 1 8 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.159 -1.862 18015 2425 1 8 . 1 1 65 65 PHE H H 62 7.731 7.731 7.836 -0.105 18015 2426 1 8 . 1 1 66 66 ILE N N 63 123.529 123.529 121.978 1.551 18015 2427 1 8 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.057 0.073 18015 2428 1 8 . 1 1 66 66 ILE CA C 63 60.934 60.934 60.607 0.327 18015 2429 1 8 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.952 -0.409 18015 2430 1 8 . 1 1 66 66 ILE H H 63 7.802 7.802 7.105 0.697 18015 2431 1 8 . 1 1 67 67 VAL N N 64 125.799 125.799 125.072 0.727 18015 2432 1 8 . 1 1 67 67 VAL HA H 64 4.197 4.197 3.977 0.220 18015 2433 1 8 . 1 1 67 67 VAL CA C 64 62.225 62.225 63.126 -0.901 18015 2434 1 8 . 1 1 67 67 VAL CB C 64 32.811 32.811 32.570 0.241 18015 2435 1 8 . 1 1 67 67 VAL H H 64 8.292 8.292 8.261 0.031 18015 2436 1 8 . 1 1 68 68 THR N N 65 118.825 118.825 119.139 -0.314 18015 2437 1 8 . 1 1 68 68 THR HA H 65 4.440 4.440 4.475 -0.035 18015 2438 1 8 . 1 1 68 68 THR CA C 65 61.236 61.236 61.454 -0.218 18015 2439 1 8 . 1 1 68 68 THR CB C 65 70.114 70.114 70.036 0.078 18015 2440 1 8 . 1 1 68 68 THR H H 65 8.353 8.353 8.072 0.281 18015 2441 1 9 . 1 1 5 5 ARG N N 2 123.855 123.855 122.453 1.402 18015 2442 1 9 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.111 0.364 18015 2443 1 9 . 1 1 5 5 ARG CA C 2 55.904 55.904 56.839 -0.935 18015 2444 1 9 . 1 1 5 5 ARG H H 2 8.472 8.472 8.026 0.446 18015 2445 1 9 . 1 1 6 6 ARG N N 3 125.147 125.147 122.597 2.550 18015 2446 1 9 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.593 -0.309 18015 2447 1 9 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.489 0.896 18015 2448 1 9 . 1 1 6 6 ARG H H 3 9.078 9.078 8.473 0.605 18015 2449 1 9 . 1 1 7 7 GLN N N 4 122.134 122.134 122.361 -0.227 18015 2450 1 9 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.154 0.147 18015 2451 1 9 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.578 -1.007 18015 2452 1 9 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.144 0.406 18015 2453 1 9 . 1 1 7 7 GLN H H 4 8.475 8.475 8.681 -0.206 18015 2454 1 9 . 1 1 8 8 ARG N N 5 124.132 124.132 121.267 2.865 18015 2455 1 9 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.171 0.114 18015 2456 1 9 . 1 1 8 8 ARG H H 5 8.631 8.631 8.173 0.458 18015 2457 1 9 . 1 1 9 9 THR N N 6 125.523 125.523 115.640 9.883 18015 2458 1 9 . 1 1 9 9 THR HA H 6 3.831 3.831 4.298 -0.467 18015 2459 1 9 . 1 1 9 9 THR CA C 6 64.978 64.978 61.440 3.538 18015 2460 1 9 . 1 1 9 9 THR CB C 6 69.109 69.109 69.601 -0.492 18015 2461 1 9 . 1 1 9 9 THR H H 6 8.036 8.036 8.153 -0.117 18015 2462 1 9 . 1 1 10 10 HIS N N 7 125.571 125.571 123.709 1.862 18015 2463 1 9 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.543 0.218 18015 2464 1 9 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.910 -2.140 18015 2465 1 9 . 1 1 10 10 HIS H H 7 8.690 8.690 8.263 0.427 18015 2466 1 9 . 1 1 11 11 PHE N N 8 126.330 126.330 121.218 5.112 18015 2467 1 9 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.904 -0.070 18015 2468 1 9 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.634 -1.101 18015 2469 1 9 . 1 1 11 11 PHE H H 8 8.703 8.703 7.780 0.923 18015 2470 1 9 . 1 1 12 12 THR N N 9 113.642 113.642 115.533 -1.891 18015 2471 1 9 . 1 1 12 12 THR HA H 9 4.542 4.542 4.561 -0.019 18015 2472 1 9 . 1 1 12 12 THR CA C 9 60.379 60.379 60.836 -0.457 18015 2473 1 9 . 1 1 12 12 THR H H 9 9.165 9.165 9.345 -0.180 18015 2474 1 9 . 1 1 13 13 SER N N 10 116.602 116.602 118.877 -2.275 18015 2475 1 9 . 1 1 13 13 SER HA H 10 4.187 4.187 4.208 -0.021 18015 2476 1 9 . 1 1 13 13 SER CA C 10 61.887 61.887 61.805 0.082 18015 2477 1 9 . 1 1 13 13 SER CB C 10 62.286 62.286 62.652 -0.366 18015 2478 1 9 . 1 1 13 13 SER H H 10 9.188 9.188 8.890 0.298 18015 2479 1 9 . 1 1 14 14 GLN N N 11 120.969 120.969 120.677 0.292 18015 2480 1 9 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.093 -0.040 18015 2481 1 9 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.370 1.208 18015 2482 1 9 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.146 -0.232 18015 2483 1 9 . 1 1 14 14 GLN H H 11 8.415 8.415 8.614 -0.199 18015 2484 1 9 . 1 1 15 15 GLN N N 12 119.255 119.255 118.382 0.873 18015 2485 1 9 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.020 -0.187 18015 2486 1 9 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.464 0.973 18015 2487 1 9 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.022 -1.057 18015 2488 1 9 . 1 1 15 15 GLN H H 12 7.799 7.799 7.407 0.392 18015 2489 1 9 . 1 1 16 16 LEU N N 13 117.041 117.041 120.062 -3.021 18015 2490 1 9 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.538 0.078 18015 2491 1 9 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.334 0.559 18015 2492 1 9 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.643 -0.037 18015 2493 1 9 . 1 1 16 16 LEU H H 13 8.299 8.299 7.931 0.368 18015 2494 1 9 . 1 1 17 17 GLN N N 14 118.025 118.025 117.903 0.122 18015 2495 1 9 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.230 -0.238 18015 2496 1 9 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.210 0.947 18015 2497 1 9 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.037 0.470 18015 2498 1 9 . 1 1 17 17 GLN H H 14 8.160 8.160 8.347 -0.187 18015 2499 1 9 . 1 1 18 18 GLU N N 15 119.789 119.789 119.089 0.700 18015 2500 1 9 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.230 -0.049 18015 2501 1 9 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.805 0.733 18015 2502 1 9 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.518 -0.068 18015 2503 1 9 . 1 1 18 18 GLU H H 15 7.582 7.582 7.730 -0.148 18015 2504 1 9 . 1 1 19 19 LEU N N 16 123.483 123.483 120.107 3.376 18015 2505 1 9 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.909 -0.396 18015 2506 1 9 . 1 1 19 19 LEU CA C 16 58.570 58.570 57.624 0.946 18015 2507 1 9 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.828 -2.962 18015 2508 1 9 . 1 1 19 19 LEU H H 16 8.313 8.313 7.377 0.936 18015 2509 1 9 . 1 1 20 20 GLU N N 17 119.146 119.146 119.300 -0.154 18015 2510 1 9 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.040 0.365 18015 2511 1 9 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.608 -0.678 18015 2512 1 9 . 1 1 20 20 GLU H H 17 8.257 8.257 7.957 0.300 18015 2513 1 9 . 1 1 21 21 ALA N N 18 120.611 120.611 121.475 -0.864 18015 2514 1 9 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.103 0.077 18015 2515 1 9 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.878 0.306 18015 2516 1 9 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.070 -0.056 18015 2517 1 9 . 1 1 21 21 ALA H H 18 7.954 7.954 7.582 0.372 18015 2518 1 9 . 1 1 22 22 THR N N 19 113.517 113.517 115.794 -2.277 18015 2519 1 9 . 1 1 22 22 THR HA H 19 4.103 4.103 4.098 0.005 18015 2520 1 9 . 1 1 22 22 THR CA C 19 66.956 66.956 66.424 0.532 18015 2521 1 9 . 1 1 22 22 THR CB C 19 68.338 68.338 69.055 -0.717 18015 2522 1 9 . 1 1 22 22 THR H H 19 7.940 7.940 7.471 0.469 18015 2523 1 9 . 1 1 23 23 PHE N N 20 125.431 125.431 122.730 2.701 18015 2524 1 9 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.393 -0.019 18015 2525 1 9 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.925 0.817 18015 2526 1 9 . 1 1 23 23 PHE H H 20 8.839 8.839 8.693 0.146 18015 2527 1 9 . 1 1 24 24 GLN N N 21 112.304 112.304 117.169 -4.865 18015 2528 1 9 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.226 -0.420 18015 2529 1 9 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.769 -0.363 18015 2530 1 9 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.883 -0.732 18015 2531 1 9 . 1 1 24 24 GLN H H 21 7.921 7.921 8.274 -0.353 18015 2532 1 9 . 1 1 25 25 ARG N N 22 116.707 116.707 117.300 -0.593 18015 2533 1 9 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.471 -0.107 18015 2534 1 9 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.396 0.749 18015 2535 1 9 . 1 1 25 25 ARG CB C 22 31.565 31.565 31.988 -0.423 18015 2536 1 9 . 1 1 25 25 ARG H H 22 7.408 7.408 7.738 -0.330 18015 2537 1 9 . 1 1 26 26 ASN N N 23 119.274 119.274 119.252 0.022 18015 2538 1 9 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.817 -0.334 18015 2539 1 9 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.945 -0.111 18015 2540 1 9 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.898 -1.335 18015 2541 1 9 . 1 1 26 26 ASN H H 23 8.251 8.251 8.467 -0.216 18015 2542 1 9 . 1 1 27 27 ARG N N 24 121.408 121.408 124.613 -3.205 18015 2543 1 9 . 1 1 27 27 ARG HA H 24 3.800 3.800 3.625 0.175 18015 2544 1 9 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.167 0.479 18015 2545 1 9 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.656 1.347 18015 2546 1 9 . 1 1 27 27 ARG H H 24 8.400 8.400 8.459 -0.059 18015 2547 1 9 . 1 1 28 28 TYR N N 25 113.992 113.992 117.771 -3.779 18015 2548 1 9 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.763 -0.105 18015 2549 1 9 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.965 0.727 18015 2550 1 9 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.598 0.537 18015 2551 1 9 . 1 1 28 28 TYR H H 25 7.734 7.734 7.802 -0.068 18015 2552 1 9 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.359 0.052 18015 2553 1 9 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.634 0.031 18015 2554 1 9 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.222 -1.169 18015 2555 1 9 . 1 1 30 30 ASP N N 27 124.189 124.189 125.045 -0.856 18015 2556 1 9 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.626 -0.132 18015 2557 1 9 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.843 -1.313 18015 2558 1 9 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.582 -2.009 18015 2559 1 9 . 1 1 30 30 ASP H H 27 8.467 8.467 8.440 0.027 18015 2560 1 9 . 1 1 31 31 MET N N 28 119.367 119.367 120.497 -1.130 18015 2561 1 9 . 1 1 31 31 MET HA H 28 3.861 3.861 4.041 -0.180 18015 2562 1 9 . 1 1 31 31 MET CA C 28 60.361 60.361 59.609 0.751 18015 2563 1 9 . 1 1 31 31 MET CB C 28 32.022 32.022 31.979 0.043 18015 2564 1 9 . 1 1 31 31 MET H H 28 8.687 8.687 8.505 0.182 18015 2565 1 9 . 1 1 32 32 SER N N 29 113.279 113.279 114.193 -0.914 18015 2566 1 9 . 1 1 32 32 SER HA H 29 4.245 4.245 4.138 0.107 18015 2567 1 9 . 1 1 32 32 SER CA C 29 61.815 61.815 60.747 1.068 18015 2568 1 9 . 1 1 32 32 SER CB C 29 62.447 62.447 62.585 -0.138 18015 2569 1 9 . 1 1 32 32 SER H H 29 8.387 8.387 8.456 -0.068 18015 2570 1 9 . 1 1 33 33 THR N N 30 120.829 120.829 120.047 0.782 18015 2571 1 9 . 1 1 33 33 THR HA H 30 4.004 4.004 4.248 -0.244 18015 2572 1 9 . 1 1 33 33 THR CA C 30 66.957 66.957 65.738 1.219 18015 2573 1 9 . 1 1 33 33 THR CB C 30 67.626 67.626 69.029 -1.403 18015 2574 1 9 . 1 1 33 33 THR H H 30 8.406 8.406 7.528 0.878 18015 2575 1 9 . 1 1 34 34 ARG N N 31 120.944 120.944 120.965 -0.021 18015 2576 1 9 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.863 0.007 18015 2577 1 9 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.974 1.184 18015 2578 1 9 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.083 2.372 18015 2579 1 9 . 1 1 34 34 ARG H H 31 8.955 8.955 8.587 0.368 18015 2580 1 9 . 1 1 35 35 GLU N N 32 118.711 118.711 119.105 -0.394 18015 2581 1 9 . 1 1 35 35 GLU HA H 32 3.993 3.993 3.990 0.003 18015 2582 1 9 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.152 0.679 18015 2583 1 9 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.904 0.329 18015 2584 1 9 . 1 1 35 35 GLU H H 32 8.608 8.608 8.464 0.144 18015 2585 1 9 . 1 1 36 36 GLU N N 33 121.133 121.133 120.398 0.735 18015 2586 1 9 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.549 0.448 18015 2587 1 9 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.694 0.998 18015 2588 1 9 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.345 0.007 18015 2589 1 9 . 1 1 36 36 GLU H H 33 7.639 7.639 7.356 0.283 18015 2590 1 9 . 1 1 37 37 ILE N N 34 119.761 119.761 120.064 -0.303 18015 2591 1 9 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.588 0.043 18015 2592 1 9 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.384 -0.656 18015 2593 1 9 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.708 0.823 18015 2594 1 9 . 1 1 37 37 ILE H H 34 8.415 8.415 7.861 0.554 18015 2595 1 9 . 1 1 38 38 ALA N N 35 124.272 124.272 122.818 1.454 18015 2596 1 9 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.151 -0.470 18015 2597 1 9 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.723 0.986 18015 2598 1 9 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.427 -1.476 18015 2599 1 9 . 1 1 38 38 ALA H H 35 8.551 8.551 8.220 0.331 18015 2600 1 9 . 1 1 39 39 VAL N N 36 118.330 118.330 118.468 -0.138 18015 2601 1 9 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.688 0.130 18015 2602 1 9 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.840 -0.356 18015 2603 1 9 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.364 0.221 18015 2604 1 9 . 1 1 39 39 VAL H H 36 7.791 7.791 7.372 0.419 18015 2605 1 9 . 1 1 40 40 TRP N N 37 120.237 120.237 120.215 0.022 18015 2606 1 9 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.403 0.228 18015 2607 1 9 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.861 0.239 18015 2608 1 9 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.548 0.267 18015 2609 1 9 . 1 1 40 40 TRP H H 37 8.109 8.109 7.704 0.405 18015 2610 1 9 . 1 1 41 41 THR N N 38 104.809 104.809 108.184 -3.375 18015 2611 1 9 . 1 1 41 41 THR HA H 38 4.374 4.374 4.403 -0.029 18015 2612 1 9 . 1 1 41 41 THR CA C 38 61.723 61.723 61.851 -0.128 18015 2613 1 9 . 1 1 41 41 THR CB C 38 71.088 71.088 70.063 1.025 18015 2614 1 9 . 1 1 41 41 THR H H 38 8.011 8.011 8.019 -0.008 18015 2615 1 9 . 1 1 42 42 ASN N N 39 118.978 118.978 119.067 -0.089 18015 2616 1 9 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.426 0.108 18015 2617 1 9 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.274 0.633 18015 2618 1 9 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.433 -0.148 18015 2619 1 9 . 1 1 42 42 ASN H H 39 7.925 7.925 7.942 -0.017 18015 2620 1 9 . 1 1 43 43 LEU N N 40 120.124 120.124 118.552 1.572 18015 2621 1 9 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.477 0.568 18015 2622 1 9 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.809 -1.741 18015 2623 1 9 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.246 3.865 18015 2624 1 9 . 1 1 43 43 LEU H H 40 8.635 8.635 7.802 0.833 18015 2625 1 9 . 1 1 44 44 THR N N 41 106.690 106.690 107.554 -0.864 18015 2626 1 9 . 1 1 44 44 THR HA H 41 4.715 4.715 4.599 0.116 18015 2627 1 9 . 1 1 44 44 THR CA C 41 59.511 59.511 59.312 0.199 18015 2628 1 9 . 1 1 44 44 THR CB C 41 71.419 71.419 70.873 0.546 18015 2629 1 9 . 1 1 44 44 THR H H 41 7.081 7.081 7.899 -0.818 18015 2630 1 9 . 1 1 45 45 GLU N N 42 124.087 124.087 121.643 2.444 18015 2631 1 9 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.936 -0.306 18015 2632 1 9 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.007 1.526 18015 2633 1 9 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.386 -0.970 18015 2634 1 9 . 1 1 45 45 GLU H H 42 9.452 9.452 8.974 0.478 18015 2635 1 9 . 1 1 46 46 ALA N N 43 119.687 119.687 121.799 -2.112 18015 2636 1 9 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.280 -0.270 18015 2637 1 9 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.610 1.009 18015 2638 1 9 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.316 0.283 18015 2639 1 9 . 1 1 46 46 ALA H H 43 8.467 8.467 8.305 0.162 18015 2640 1 9 . 1 1 47 47 ARG N N 44 116.856 116.856 119.457 -2.601 18015 2641 1 9 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.178 0.135 18015 2642 1 9 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.664 1.370 18015 2643 1 9 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.514 1.971 18015 2644 1 9 . 1 1 47 47 ARG H H 44 7.657 7.657 8.022 -0.365 18015 2645 1 9 . 1 1 48 48 VAL N N 45 120.046 120.046 119.640 0.406 18015 2646 1 9 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.673 0.091 18015 2647 1 9 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.548 0.760 18015 2648 1 9 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.184 1.351 18015 2649 1 9 . 1 1 48 48 VAL H H 45 8.008 8.008 7.963 0.045 18015 2650 1 9 . 1 1 49 49 ARG N N 46 121.544 121.544 119.385 2.159 18015 2651 1 9 . 1 1 49 49 ARG HA H 46 3.934 3.934 3.850 0.084 18015 2652 1 9 . 1 1 49 49 ARG CA C 46 60.608 60.608 59.804 0.804 18015 2653 1 9 . 1 1 49 49 ARG CB C 46 30.569 30.569 29.987 0.582 18015 2654 1 9 . 1 1 49 49 ARG H H 46 9.432 9.432 7.488 1.944 18015 2655 1 9 . 1 1 50 50 VAL N N 47 120.747 120.747 119.131 1.616 18015 2656 1 9 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.795 -0.153 18015 2657 1 9 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.110 -0.023 18015 2658 1 9 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.548 0.919 18015 2659 1 9 . 1 1 50 50 VAL H H 47 8.103 8.103 8.154 -0.051 18015 2660 1 9 . 1 1 51 51 TRP N N 48 122.857 122.857 121.687 1.170 18015 2661 1 9 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.348 0.535 18015 2662 1 9 . 1 1 51 51 TRP H H 48 8.430 8.430 8.539 -0.109 18015 2663 1 9 . 1 1 52 52 PHE N N 49 118.314 118.314 119.575 -1.261 18015 2664 1 9 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.240 -0.525 18015 2665 1 9 . 1 1 52 52 PHE CA C 49 63.608 63.608 61.740 1.868 18015 2666 1 9 . 1 1 52 52 PHE CB C 49 39.456 39.456 38.941 0.515 18015 2667 1 9 . 1 1 52 52 PHE H H 49 9.045 9.045 8.447 0.598 18015 2668 1 9 . 1 1 53 53 LYS N N 50 121.307 121.307 119.254 2.053 18015 2669 1 9 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.983 -0.041 18015 2670 1 9 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.788 0.879 18015 2671 1 9 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.926 1.287 18015 2672 1 9 . 1 1 53 53 LYS H H 50 7.915 7.915 8.467 -0.552 18015 2673 1 9 . 1 1 54 54 ASN N N 51 119.377 119.377 117.736 1.641 18015 2674 1 9 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.519 -0.013 18015 2675 1 9 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.191 0.977 18015 2676 1 9 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.890 0.343 18015 2677 1 9 . 1 1 54 54 ASN H H 51 8.669 8.669 8.343 0.326 18015 2678 1 9 . 1 1 55 55 ARG N N 52 125.530 125.530 120.854 4.676 18015 2679 1 9 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.992 -0.310 18015 2680 1 9 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.473 -1.898 18015 2681 1 9 . 1 1 55 55 ARG H H 52 8.851 8.851 7.470 1.381 18015 2682 1 9 . 1 1 56 56 ARG N N 53 120.194 120.194 120.441 -0.247 18015 2683 1 9 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.014 0.285 18015 2684 1 9 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.552 1.711 18015 2685 1 9 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.112 1.367 18015 2686 1 9 . 1 1 56 56 ARG H H 53 8.620 8.620 8.110 0.510 18015 2687 1 9 . 1 1 57 57 ALA N N 54 121.998 121.998 121.699 0.299 18015 2688 1 9 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.061 0.279 18015 2689 1 9 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.357 0.278 18015 2690 1 9 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.177 -0.687 18015 2691 1 9 . 1 1 57 57 ALA H H 54 7.386 7.386 8.193 -0.807 18015 2692 1 9 . 1 1 58 58 LYS N N 55 120.111 120.111 117.344 2.767 18015 2693 1 9 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.998 0.068 18015 2694 1 9 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.419 1.205 18015 2695 1 9 . 1 1 58 58 LYS H H 55 7.716 7.716 7.454 0.262 18015 2696 1 9 . 1 1 59 59 TRP N N 56 121.249 121.249 121.681 -0.432 18015 2697 1 9 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.469 0.102 18015 2698 1 9 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.322 1.101 18015 2699 1 9 . 1 1 59 59 TRP CB C 56 29.651 29.651 30.023 -0.372 18015 2700 1 9 . 1 1 59 59 TRP H H 56 8.362 8.362 7.472 0.890 18015 2701 1 9 . 1 1 60 60 ARG N N 57 117.543 117.543 117.771 -0.228 18015 2702 1 9 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.003 -0.125 18015 2703 1 9 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.267 1.440 18015 2704 1 9 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.825 1.467 18015 2705 1 9 . 1 1 60 60 ARG H H 57 8.464 8.464 7.904 0.560 18015 2706 1 9 . 1 1 61 61 LYS N N 58 118.252 118.252 117.495 0.757 18015 2707 1 9 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.254 -0.046 18015 2708 1 9 . 1 1 61 61 LYS CA C 58 58.299 58.299 57.839 0.460 18015 2709 1 9 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.661 0.471 18015 2710 1 9 . 1 1 61 61 LYS H H 58 7.770 7.770 8.146 -0.376 18015 2711 1 9 . 1 1 62 62 ARG N N 59 116.854 116.854 118.759 -1.905 18015 2712 1 9 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.335 0.068 18015 2713 1 9 . 1 1 62 62 ARG CA C 59 56.217 56.217 56.538 -0.321 18015 2714 1 9 . 1 1 62 62 ARG CB C 59 31.201 31.201 32.283 -1.082 18015 2715 1 9 . 1 1 62 62 ARG H H 59 7.978 7.978 7.914 0.064 18015 2716 1 9 . 1 1 63 63 GLU N N 60 119.450 119.450 119.294 0.156 18015 2717 1 9 . 1 1 63 63 GLU HA H 60 3.983 3.983 3.463 0.520 18015 2718 1 9 . 1 1 63 63 GLU CA C 60 56.923 56.923 54.700 2.223 18015 2719 1 9 . 1 1 63 63 GLU CB C 60 30.001 30.001 28.463 1.538 18015 2720 1 9 . 1 1 63 63 GLU H H 60 8.078 8.078 8.055 0.023 18015 2721 1 9 . 1 1 64 64 GLU N N 61 120.134 120.134 121.118 -0.984 18015 2722 1 9 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.006 -0.232 18015 2723 1 9 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.388 -0.938 18015 2724 1 9 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.087 0.810 18015 2725 1 9 . 1 1 64 64 GLU H H 61 7.889 7.889 8.406 -0.517 18015 2726 1 9 . 1 1 65 65 PHE N N 62 118.794 118.794 113.655 5.139 18015 2727 1 9 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.781 -0.203 18015 2728 1 9 . 1 1 65 65 PHE CA C 62 56.961 56.961 55.687 1.274 18015 2729 1 9 . 1 1 65 65 PHE CB C 62 39.297 39.297 39.661 -0.364 18015 2730 1 9 . 1 1 65 65 PHE H H 62 7.731 7.731 6.820 0.911 18015 2731 1 9 . 1 1 66 66 ILE N N 63 123.529 123.529 122.145 1.384 18015 2732 1 9 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.420 -0.290 18015 2733 1 9 . 1 1 66 66 ILE CA C 63 60.934 60.934 60.211 0.723 18015 2734 1 9 . 1 1 66 66 ILE CB C 63 38.543 38.543 41.094 -2.551 18015 2735 1 9 . 1 1 66 66 ILE H H 63 7.802 7.802 7.103 0.699 18015 2736 1 9 . 1 1 67 67 VAL N N 64 125.799 125.799 125.599 0.200 18015 2737 1 9 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.203 -0.006 18015 2738 1 9 . 1 1 67 67 VAL CA C 64 62.225 62.225 62.983 -0.758 18015 2739 1 9 . 1 1 67 67 VAL CB C 64 32.811 32.811 32.384 0.427 18015 2740 1 9 . 1 1 67 67 VAL H H 64 8.292 8.292 8.496 -0.204 18015 2741 1 9 . 1 1 68 68 THR N N 65 118.825 118.825 121.780 -2.955 18015 2742 1 9 . 1 1 68 68 THR HA H 65 4.440 4.440 4.382 0.058 18015 2743 1 9 . 1 1 68 68 THR CA C 65 61.236 61.236 60.987 0.249 18015 2744 1 9 . 1 1 68 68 THR CB C 65 70.114 70.114 69.258 0.856 18015 2745 1 9 . 1 1 68 68 THR H H 65 8.353 8.353 8.431 -0.078 18015 2746 1 10 . 1 1 5 5 ARG N N 2 123.855 123.855 121.652 2.203 18015 2747 1 10 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.330 0.144 18015 2748 1 10 . 1 1 5 5 ARG CA C 2 55.904 55.904 56.784 -0.880 18015 2749 1 10 . 1 1 5 5 ARG H H 2 8.472 8.472 8.447 0.025 18015 2750 1 10 . 1 1 6 6 ARG N N 3 125.147 125.147 120.391 4.756 18015 2751 1 10 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.621 -0.337 18015 2752 1 10 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.176 1.209 18015 2753 1 10 . 1 1 6 6 ARG H H 3 9.078 9.078 8.771 0.307 18015 2754 1 10 . 1 1 7 7 GLN N N 4 122.134 122.134 120.525 1.609 18015 2755 1 10 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.749 -0.448 18015 2756 1 10 . 1 1 7 7 GLN CA C 4 55.571 55.571 54.889 0.682 18015 2757 1 10 . 1 1 7 7 GLN CB C 4 29.550 29.550 30.890 -1.340 18015 2758 1 10 . 1 1 7 7 GLN H H 4 8.475 8.475 8.526 -0.051 18015 2759 1 10 . 1 1 8 8 ARG N N 5 124.132 124.132 121.498 2.634 18015 2760 1 10 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.531 -0.246 18015 2761 1 10 . 1 1 8 8 ARG H H 5 8.631 8.631 8.517 0.114 18015 2762 1 10 . 1 1 9 9 THR N N 6 125.523 125.523 115.595 9.928 18015 2763 1 10 . 1 1 9 9 THR HA H 6 3.831 3.831 3.504 0.327 18015 2764 1 10 . 1 1 9 9 THR CA C 6 64.978 64.978 62.427 2.551 18015 2765 1 10 . 1 1 9 9 THR CB C 6 69.109 69.109 68.235 0.874 18015 2766 1 10 . 1 1 9 9 THR H H 6 8.036 8.036 8.464 -0.428 18015 2767 1 10 . 1 1 10 10 HIS N N 7 125.571 125.571 118.812 6.759 18015 2768 1 10 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.367 0.394 18015 2769 1 10 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.027 -1.258 18015 2770 1 10 . 1 1 10 10 HIS H H 7 8.690 8.690 8.038 0.652 18015 2771 1 10 . 1 1 11 11 PHE N N 8 126.330 126.330 115.873 10.457 18015 2772 1 10 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.071 -0.237 18015 2773 1 10 . 1 1 11 11 PHE CB C 8 40.533 40.533 40.464 0.069 18015 2774 1 10 . 1 1 11 11 PHE H H 8 8.703 8.703 6.889 1.814 18015 2775 1 10 . 1 1 12 12 THR N N 9 113.642 113.642 111.287 2.355 18015 2776 1 10 . 1 1 12 12 THR HA H 9 4.542 4.542 4.723 -0.181 18015 2777 1 10 . 1 1 12 12 THR CA C 9 60.379 60.379 60.295 0.084 18015 2778 1 10 . 1 1 12 12 THR H H 9 9.165 9.165 9.208 -0.043 18015 2779 1 10 . 1 1 13 13 SER N N 10 116.602 116.602 117.417 -0.815 18015 2780 1 10 . 1 1 13 13 SER HA H 10 4.187 4.187 4.102 0.085 18015 2781 1 10 . 1 1 13 13 SER CA C 10 61.887 61.887 62.860 -0.973 18015 2782 1 10 . 1 1 13 13 SER CB C 10 62.286 62.286 63.104 -0.818 18015 2783 1 10 . 1 1 13 13 SER H H 10 9.188 9.188 8.864 0.324 18015 2784 1 10 . 1 1 14 14 GLN N N 11 120.969 120.969 119.814 1.155 18015 2785 1 10 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.088 -0.035 18015 2786 1 10 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.206 1.372 18015 2787 1 10 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.113 -0.199 18015 2788 1 10 . 1 1 14 14 GLN H H 11 8.415 8.415 8.399 0.016 18015 2789 1 10 . 1 1 15 15 GLN N N 12 119.255 119.255 118.743 0.512 18015 2790 1 10 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.000 -0.167 18015 2791 1 10 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.719 0.717 18015 2792 1 10 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.905 -0.940 18015 2793 1 10 . 1 1 15 15 GLN H H 12 7.799 7.799 7.549 0.250 18015 2794 1 10 . 1 1 16 16 LEU N N 13 117.041 117.041 120.160 -3.119 18015 2795 1 10 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.584 0.032 18015 2796 1 10 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.136 0.757 18015 2797 1 10 . 1 1 16 16 LEU CB C 13 41.606 41.606 40.844 0.762 18015 2798 1 10 . 1 1 16 16 LEU H H 13 8.299 8.299 8.064 0.235 18015 2799 1 10 . 1 1 17 17 GLN N N 14 118.025 118.025 118.695 -0.670 18015 2800 1 10 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.145 -0.153 18015 2801 1 10 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.612 0.545 18015 2802 1 10 . 1 1 17 17 GLN CB C 14 28.507 28.507 27.988 0.519 18015 2803 1 10 . 1 1 17 17 GLN H H 14 8.160 8.160 7.973 0.187 18015 2804 1 10 . 1 1 18 18 GLU N N 15 119.789 119.789 119.204 0.585 18015 2805 1 10 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.248 -0.067 18015 2806 1 10 . 1 1 18 18 GLU CA C 15 58.538 58.538 58.343 0.195 18015 2807 1 10 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.504 -0.054 18015 2808 1 10 . 1 1 18 18 GLU H H 15 7.582 7.582 7.770 -0.188 18015 2809 1 10 . 1 1 19 19 LEU N N 16 123.483 123.483 120.377 3.106 18015 2810 1 10 . 1 1 19 19 LEU HA H 16 3.513 3.513 4.004 -0.491 18015 2811 1 10 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.351 0.219 18015 2812 1 10 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.004 -3.138 18015 2813 1 10 . 1 1 19 19 LEU H H 16 8.313 8.313 7.337 0.976 18015 2814 1 10 . 1 1 20 20 GLU N N 17 119.146 119.146 119.494 -0.348 18015 2815 1 10 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.208 0.197 18015 2816 1 10 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.568 -0.638 18015 2817 1 10 . 1 1 20 20 GLU H H 17 8.257 8.257 8.545 -0.288 18015 2818 1 10 . 1 1 21 21 ALA N N 18 120.611 120.611 122.624 -2.013 18015 2819 1 10 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.217 -0.037 18015 2820 1 10 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.634 0.550 18015 2821 1 10 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.389 -0.375 18015 2822 1 10 . 1 1 21 21 ALA H H 18 7.954 7.954 7.589 0.365 18015 2823 1 10 . 1 1 22 22 THR N N 19 113.517 113.517 116.570 -3.053 18015 2824 1 10 . 1 1 22 22 THR HA H 19 4.103 4.103 4.218 -0.115 18015 2825 1 10 . 1 1 22 22 THR CA C 19 66.956 66.956 67.071 -0.115 18015 2826 1 10 . 1 1 22 22 THR CB C 19 68.338 68.338 69.126 -0.788 18015 2827 1 10 . 1 1 22 22 THR H H 19 7.940 7.940 8.013 -0.073 18015 2828 1 10 . 1 1 23 23 PHE N N 20 125.431 125.431 120.991 4.440 18015 2829 1 10 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.875 -0.502 18015 2830 1 10 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.302 1.440 18015 2831 1 10 . 1 1 23 23 PHE H H 20 8.839 8.839 8.343 0.496 18015 2832 1 10 . 1 1 24 24 GLN N N 21 112.304 112.304 115.703 -3.399 18015 2833 1 10 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.208 -0.402 18015 2834 1 10 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.304 0.102 18015 2835 1 10 . 1 1 24 24 GLN CB C 21 28.151 28.151 29.350 -1.199 18015 2836 1 10 . 1 1 24 24 GLN H H 21 7.921 7.921 7.973 -0.052 18015 2837 1 10 . 1 1 25 25 ARG N N 22 116.707 116.707 116.655 0.052 18015 2838 1 10 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.538 -0.174 18015 2839 1 10 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.193 0.952 18015 2840 1 10 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.279 -0.714 18015 2841 1 10 . 1 1 25 25 ARG H H 22 7.408 7.408 7.952 -0.544 18015 2842 1 10 . 1 1 26 26 ASN N N 23 119.274 119.274 119.754 -0.480 18015 2843 1 10 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.921 -0.438 18015 2844 1 10 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.755 0.079 18015 2845 1 10 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.790 -1.227 18015 2846 1 10 . 1 1 26 26 ASN H H 23 8.251 8.251 8.547 -0.296 18015 2847 1 10 . 1 1 27 27 ARG N N 24 121.408 121.408 123.991 -2.583 18015 2848 1 10 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.163 -0.363 18015 2849 1 10 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.507 0.139 18015 2850 1 10 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.293 0.710 18015 2851 1 10 . 1 1 27 27 ARG H H 24 8.400 8.400 8.670 -0.270 18015 2852 1 10 . 1 1 28 28 TYR N N 25 113.992 113.992 118.682 -4.690 18015 2853 1 10 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.942 -0.284 18015 2854 1 10 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.869 0.822 18015 2855 1 10 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.060 1.075 18015 2856 1 10 . 1 1 28 28 TYR H H 25 7.734 7.734 7.901 -0.167 18015 2857 1 10 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.353 0.058 18015 2858 1 10 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.817 -0.152 18015 2859 1 10 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.118 -1.065 18015 2860 1 10 . 1 1 30 30 ASP N N 27 124.189 124.189 122.902 1.287 18015 2861 1 10 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.786 -0.292 18015 2862 1 10 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.699 -1.169 18015 2863 1 10 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.381 -2.808 18015 2864 1 10 . 1 1 30 30 ASP H H 27 8.467 8.467 8.364 0.103 18015 2865 1 10 . 1 1 31 31 MET N N 28 119.367 119.367 119.803 -0.436 18015 2866 1 10 . 1 1 31 31 MET HA H 28 3.861 3.861 4.083 -0.222 18015 2867 1 10 . 1 1 31 31 MET CA C 28 60.361 60.361 59.166 1.194 18015 2868 1 10 . 1 1 31 31 MET CB C 28 32.022 32.022 32.102 -0.080 18015 2869 1 10 . 1 1 31 31 MET H H 28 8.687 8.687 8.449 0.238 18015 2870 1 10 . 1 1 32 32 SER N N 29 113.279 113.279 113.241 0.038 18015 2871 1 10 . 1 1 32 32 SER HA H 29 4.245 4.245 4.291 -0.046 18015 2872 1 10 . 1 1 32 32 SER CA C 29 61.815 61.815 60.401 1.414 18015 2873 1 10 . 1 1 32 32 SER CB C 29 62.447 62.447 62.650 -0.203 18015 2874 1 10 . 1 1 32 32 SER H H 29 8.387 8.387 8.353 0.034 18015 2875 1 10 . 1 1 33 33 THR N N 30 120.829 120.829 118.601 2.228 18015 2876 1 10 . 1 1 33 33 THR HA H 30 4.004 4.004 4.764 -0.760 18015 2877 1 10 . 1 1 33 33 THR CA C 30 66.957 66.957 64.916 2.041 18015 2878 1 10 . 1 1 33 33 THR CB C 30 67.626 67.626 69.683 -2.058 18015 2879 1 10 . 1 1 33 33 THR H H 30 8.406 8.406 7.681 0.725 18015 2880 1 10 . 1 1 34 34 ARG N N 31 120.944 120.944 121.913 -0.969 18015 2881 1 10 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.933 -0.063 18015 2882 1 10 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.933 1.225 18015 2883 1 10 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.213 2.242 18015 2884 1 10 . 1 1 34 34 ARG H H 31 8.955 8.955 8.441 0.514 18015 2885 1 10 . 1 1 35 35 GLU N N 32 118.711 118.711 118.749 -0.038 18015 2886 1 10 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.015 -0.022 18015 2887 1 10 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.250 0.581 18015 2888 1 10 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.919 0.314 18015 2889 1 10 . 1 1 35 35 GLU H H 32 8.608 8.608 8.456 0.152 18015 2890 1 10 . 1 1 36 36 GLU N N 33 121.133 121.133 120.526 0.607 18015 2891 1 10 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.496 0.501 18015 2892 1 10 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.557 1.135 18015 2893 1 10 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.178 0.174 18015 2894 1 10 . 1 1 36 36 GLU H H 33 7.639 7.639 7.599 0.040 18015 2895 1 10 . 1 1 37 37 ILE N N 34 119.761 119.761 119.720 0.041 18015 2896 1 10 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.527 0.104 18015 2897 1 10 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.257 -0.529 18015 2898 1 10 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.611 0.920 18015 2899 1 10 . 1 1 37 37 ILE H H 34 8.415 8.415 7.814 0.601 18015 2900 1 10 . 1 1 38 38 ALA N N 35 124.272 124.272 123.647 0.625 18015 2901 1 10 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.111 -0.430 18015 2902 1 10 . 1 1 38 38 ALA CA C 35 55.709 55.709 55.011 0.698 18015 2903 1 10 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.287 -1.336 18015 2904 1 10 . 1 1 38 38 ALA H H 35 8.551 8.551 7.673 0.878 18015 2905 1 10 . 1 1 39 39 VAL N N 36 118.330 118.330 118.072 0.258 18015 2906 1 10 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.635 0.182 18015 2907 1 10 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.251 0.233 18015 2908 1 10 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.579 0.006 18015 2909 1 10 . 1 1 39 39 VAL H H 36 7.791 7.791 7.227 0.564 18015 2910 1 10 . 1 1 40 40 TRP N N 37 120.237 120.237 120.302 -0.065 18015 2911 1 10 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.397 0.234 18015 2912 1 10 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.770 0.330 18015 2913 1 10 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.670 0.145 18015 2914 1 10 . 1 1 40 40 TRP H H 37 8.109 8.109 7.942 0.167 18015 2915 1 10 . 1 1 41 41 THR N N 38 104.809 104.809 107.007 -2.198 18015 2916 1 10 . 1 1 41 41 THR HA H 38 4.374 4.374 4.406 -0.032 18015 2917 1 10 . 1 1 41 41 THR CA C 38 61.723 61.723 61.998 -0.275 18015 2918 1 10 . 1 1 41 41 THR CB C 38 71.088 71.088 69.693 1.395 18015 2919 1 10 . 1 1 41 41 THR H H 38 8.011 8.011 7.784 0.227 18015 2920 1 10 . 1 1 42 42 ASN N N 39 118.978 118.978 119.561 -0.583 18015 2921 1 10 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.355 0.179 18015 2922 1 10 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.452 0.455 18015 2923 1 10 . 1 1 42 42 ASN CB C 39 37.285 37.285 36.552 0.733 18015 2924 1 10 . 1 1 42 42 ASN H H 39 7.925 7.925 8.012 -0.087 18015 2925 1 10 . 1 1 43 43 LEU N N 40 120.124 120.124 116.990 3.134 18015 2926 1 10 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.690 0.355 18015 2927 1 10 . 1 1 43 43 LEU CA C 40 53.068 53.068 53.537 -0.469 18015 2928 1 10 . 1 1 43 43 LEU CB C 40 47.111 47.111 45.003 2.108 18015 2929 1 10 . 1 1 43 43 LEU H H 40 8.635 8.635 8.203 0.432 18015 2930 1 10 . 1 1 44 44 THR N N 41 106.690 106.690 109.293 -2.603 18015 2931 1 10 . 1 1 44 44 THR HA H 41 4.715 4.715 4.624 0.091 18015 2932 1 10 . 1 1 44 44 THR CA C 41 59.511 59.511 59.951 -0.440 18015 2933 1 10 . 1 1 44 44 THR CB C 41 71.419 71.419 70.660 0.759 18015 2934 1 10 . 1 1 44 44 THR H H 41 7.081 7.081 8.036 -0.955 18015 2935 1 10 . 1 1 45 45 GLU N N 42 124.087 124.087 124.294 -0.207 18015 2936 1 10 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.911 -0.281 18015 2937 1 10 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.026 1.508 18015 2938 1 10 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.537 -1.121 18015 2939 1 10 . 1 1 45 45 GLU H H 42 9.452 9.452 8.933 0.519 18015 2940 1 10 . 1 1 46 46 ALA N N 43 119.687 119.687 120.917 -1.230 18015 2941 1 10 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.194 -0.184 18015 2942 1 10 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.849 0.770 18015 2943 1 10 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.169 0.430 18015 2944 1 10 . 1 1 46 46 ALA H H 43 8.467 8.467 8.574 -0.107 18015 2945 1 10 . 1 1 47 47 ARG N N 44 116.856 116.856 118.513 -1.657 18015 2946 1 10 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.267 0.046 18015 2947 1 10 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.545 1.489 18015 2948 1 10 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.455 2.030 18015 2949 1 10 . 1 1 47 47 ARG H H 44 7.657 7.657 7.704 -0.047 18015 2950 1 10 . 1 1 48 48 VAL N N 45 120.046 120.046 120.925 -0.879 18015 2951 1 10 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.811 -0.047 18015 2952 1 10 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.345 0.963 18015 2953 1 10 . 1 1 48 48 VAL CB C 45 32.535 32.535 30.957 1.577 18015 2954 1 10 . 1 1 48 48 VAL H H 45 8.008 8.008 7.591 0.417 18015 2955 1 10 . 1 1 49 49 ARG N N 46 121.544 121.544 120.312 1.232 18015 2956 1 10 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.073 -0.139 18015 2957 1 10 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.397 0.211 18015 2958 1 10 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.275 0.294 18015 2959 1 10 . 1 1 49 49 ARG H H 46 9.432 9.432 8.461 0.971 18015 2960 1 10 . 1 1 50 50 VAL N N 47 120.747 120.747 119.117 1.630 18015 2961 1 10 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.743 -0.101 18015 2962 1 10 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.178 0.909 18015 2963 1 10 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.687 0.780 18015 2964 1 10 . 1 1 50 50 VAL H H 47 8.103 8.103 7.782 0.321 18015 2965 1 10 . 1 1 51 51 TRP N N 48 122.857 122.857 122.747 0.110 18015 2966 1 10 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.163 0.720 18015 2967 1 10 . 1 1 51 51 TRP H H 48 8.430 8.430 8.411 0.019 18015 2968 1 10 . 1 1 52 52 PHE N N 49 118.314 118.314 118.368 -0.054 18015 2969 1 10 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.893 -0.178 18015 2970 1 10 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.536 1.072 18015 2971 1 10 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.334 0.122 18015 2972 1 10 . 1 1 52 52 PHE H H 49 9.045 9.045 8.653 0.392 18015 2973 1 10 . 1 1 53 53 LYS N N 50 121.307 121.307 119.586 1.721 18015 2974 1 10 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.803 0.139 18015 2975 1 10 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.927 0.740 18015 2976 1 10 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.003 1.210 18015 2977 1 10 . 1 1 53 53 LYS H H 50 7.915 7.915 8.635 -0.720 18015 2978 1 10 . 1 1 54 54 ASN N N 51 119.377 119.377 118.873 0.504 18015 2979 1 10 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.346 0.160 18015 2980 1 10 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.978 0.190 18015 2981 1 10 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.505 -0.272 18015 2982 1 10 . 1 1 54 54 ASN H H 51 8.669 8.669 8.424 0.245 18015 2983 1 10 . 1 1 55 55 ARG N N 52 125.530 125.530 118.873 6.657 18015 2984 1 10 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.480 0.202 18015 2985 1 10 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.774 -1.199 18015 2986 1 10 . 1 1 55 55 ARG H H 52 8.851 8.851 7.759 1.092 18015 2987 1 10 . 1 1 56 56 ARG N N 53 120.194 120.194 116.873 3.321 18015 2988 1 10 . 1 1 56 56 ARG HA H 53 4.299 4.299 3.505 0.794 18015 2989 1 10 . 1 1 56 56 ARG CA C 53 61.263 61.263 57.968 3.295 18015 2990 1 10 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.995 1.484 18015 2991 1 10 . 1 1 56 56 ARG H H 53 8.620 8.620 7.159 1.461 18015 2992 1 10 . 1 1 57 57 ALA N N 54 121.998 121.998 122.418 -0.420 18015 2993 1 10 . 1 1 57 57 ALA HA H 54 4.340 4.340 3.806 0.534 18015 2994 1 10 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.636 0.999 18015 2995 1 10 . 1 1 57 57 ALA CB C 54 17.490 17.490 17.990 -0.500 18015 2996 1 10 . 1 1 57 57 ALA H H 54 7.386 7.386 8.059 -0.673 18015 2997 1 10 . 1 1 58 58 LYS N N 55 120.111 120.111 118.806 1.305 18015 2998 1 10 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.917 0.149 18015 2999 1 10 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.966 0.658 18015 3000 1 10 . 1 1 58 58 LYS H H 55 7.716 7.716 7.784 -0.068 18015 3001 1 10 . 1 1 59 59 TRP N N 56 121.249 121.249 118.463 2.786 18015 3002 1 10 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.354 0.217 18015 3003 1 10 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.067 1.356 18015 3004 1 10 . 1 1 59 59 TRP CB C 56 29.651 29.651 28.211 1.440 18015 3005 1 10 . 1 1 59 59 TRP H H 56 8.362 8.362 7.392 0.970 18015 3006 1 10 . 1 1 60 60 ARG N N 57 117.543 117.543 120.507 -2.964 18015 3007 1 10 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.075 -0.197 18015 3008 1 10 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.842 0.865 18015 3009 1 10 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.510 1.782 18015 3010 1 10 . 1 1 60 60 ARG H H 57 8.464 8.464 7.204 1.260 18015 3011 1 10 . 1 1 61 61 LYS N N 58 118.252 118.252 118.305 -0.053 18015 3012 1 10 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.176 0.032 18015 3013 1 10 . 1 1 61 61 LYS CA C 58 58.299 58.299 57.946 0.353 18015 3014 1 10 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.143 0.989 18015 3015 1 10 . 1 1 61 61 LYS H H 58 7.770 7.770 8.113 -0.343 18015 3016 1 10 . 1 1 62 62 ARG N N 59 116.854 116.854 117.275 -0.421 18015 3017 1 10 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.443 -0.040 18015 3018 1 10 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.038 -0.821 18015 3019 1 10 . 1 1 62 62 ARG CB C 59 31.201 31.201 32.080 -0.879 18015 3020 1 10 . 1 1 62 62 ARG H H 59 7.978 7.978 7.599 0.379 18015 3021 1 10 . 1 1 63 63 GLU N N 60 119.450 119.450 117.178 2.272 18015 3022 1 10 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.591 -0.608 18015 3023 1 10 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.820 1.103 18015 3024 1 10 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.665 -0.664 18015 3025 1 10 . 1 1 63 63 GLU H H 60 8.078 8.078 8.384 -0.306 18015 3026 1 10 . 1 1 64 64 GLU N N 61 120.134 120.134 117.031 3.103 18015 3027 1 10 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.106 -0.332 18015 3028 1 10 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.561 -2.111 18015 3029 1 10 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.751 1.146 18015 3030 1 10 . 1 1 64 64 GLU H H 61 7.889 7.889 8.335 -0.446 18015 3031 1 10 . 1 1 65 65 PHE N N 62 118.794 118.794 111.432 7.362 18015 3032 1 10 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.981 -0.403 18015 3033 1 10 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.116 -0.155 18015 3034 1 10 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.179 -1.882 18015 3035 1 10 . 1 1 65 65 PHE H H 62 7.731 7.731 7.576 0.155 18015 3036 1 10 . 1 1 66 66 ILE N N 63 123.529 123.529 122.337 1.192 18015 3037 1 10 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.725 0.405 18015 3038 1 10 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.699 -0.765 18015 3039 1 10 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.922 0.621 18015 3040 1 10 . 1 1 66 66 ILE H H 63 7.802 7.802 6.896 0.906 18015 3041 1 10 . 1 1 67 67 VAL N N 64 125.799 125.799 125.792 0.007 18015 3042 1 10 . 1 1 67 67 VAL HA H 64 4.197 4.197 3.306 0.891 18015 3043 1 10 . 1 1 67 67 VAL CA C 64 62.225 62.225 61.246 0.979 18015 3044 1 10 . 1 1 67 67 VAL CB C 64 32.811 32.811 33.405 -0.594 18015 3045 1 10 . 1 1 67 67 VAL H H 64 8.292 8.292 7.907 0.385 18015 3046 1 10 . 1 1 68 68 THR N N 65 118.825 118.825 116.597 2.228 18015 3047 1 10 . 1 1 68 68 THR HA H 65 4.440 4.440 4.149 0.291 18015 3048 1 10 . 1 1 68 68 THR CA C 65 61.236 61.236 62.963 -1.727 18015 3049 1 10 . 1 1 68 68 THR CB C 65 70.114 70.114 68.972 1.142 18015 3050 1 10 . 1 1 68 68 THR H H 65 8.353 8.353 7.628 0.725 18015 3051 1 11 . 1 1 5 5 ARG N N 2 123.855 123.855 121.363 2.492 18015 3052 1 11 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.705 -0.230 18015 3053 1 11 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.215 0.689 18015 3054 1 11 . 1 1 5 5 ARG H H 2 8.472 8.472 8.451 0.021 18015 3055 1 11 . 1 1 6 6 ARG N N 3 125.147 125.147 122.407 2.740 18015 3056 1 11 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.579 -0.295 18015 3057 1 11 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.656 0.729 18015 3058 1 11 . 1 1 6 6 ARG H H 3 9.078 9.078 8.427 0.651 18015 3059 1 11 . 1 1 7 7 GLN N N 4 122.134 122.134 121.273 0.861 18015 3060 1 11 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.245 0.056 18015 3061 1 11 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.104 -0.533 18015 3062 1 11 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.128 0.422 18015 3063 1 11 . 1 1 7 7 GLN H H 4 8.475 8.475 8.392 0.083 18015 3064 1 11 . 1 1 8 8 ARG N N 5 124.132 124.132 119.314 4.818 18015 3065 1 11 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.099 0.186 18015 3066 1 11 . 1 1 8 8 ARG H H 5 8.631 8.631 8.165 0.466 18015 3067 1 11 . 1 1 9 9 THR N N 6 125.523 125.523 116.735 8.788 18015 3068 1 11 . 1 1 9 9 THR HA H 6 3.831 3.831 3.772 0.059 18015 3069 1 11 . 1 1 9 9 THR CA C 6 64.978 64.978 63.541 1.437 18015 3070 1 11 . 1 1 9 9 THR CB C 6 69.109 69.109 69.058 0.051 18015 3071 1 11 . 1 1 9 9 THR H H 6 8.036 8.036 8.130 -0.094 18015 3072 1 11 . 1 1 10 10 HIS N N 7 125.571 125.571 123.063 2.508 18015 3073 1 11 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.549 0.212 18015 3074 1 11 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.427 -1.658 18015 3075 1 11 . 1 1 10 10 HIS H H 7 8.690 8.690 7.729 0.961 18015 3076 1 11 . 1 1 11 11 PHE N N 8 126.330 126.330 120.627 5.703 18015 3077 1 11 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.850 -0.016 18015 3078 1 11 . 1 1 11 11 PHE CB C 8 40.533 40.533 38.409 2.124 18015 3079 1 11 . 1 1 11 11 PHE H H 8 8.703 8.703 7.977 0.726 18015 3080 1 11 . 1 1 12 12 THR N N 9 113.642 113.642 114.825 -1.183 18015 3081 1 11 . 1 1 12 12 THR HA H 9 4.542 4.542 4.731 -0.189 18015 3082 1 11 . 1 1 12 12 THR CA C 9 60.379 60.379 60.307 0.072 18015 3083 1 11 . 1 1 12 12 THR H H 9 9.165 9.165 8.142 1.023 18015 3084 1 11 . 1 1 13 13 SER N N 10 116.602 116.602 116.182 0.420 18015 3085 1 11 . 1 1 13 13 SER HA H 10 4.187 4.187 4.154 0.033 18015 3086 1 11 . 1 1 13 13 SER CA C 10 61.887 61.887 60.684 1.203 18015 3087 1 11 . 1 1 13 13 SER CB C 10 62.286 62.286 62.832 -0.546 18015 3088 1 11 . 1 1 13 13 SER H H 10 9.188 9.188 8.821 0.367 18015 3089 1 11 . 1 1 14 14 GLN N N 11 120.969 120.969 120.702 0.267 18015 3090 1 11 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.201 -0.148 18015 3091 1 11 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.097 1.481 18015 3092 1 11 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.772 -0.858 18015 3093 1 11 . 1 1 14 14 GLN H H 11 8.415 8.415 7.679 0.736 18015 3094 1 11 . 1 1 15 15 GLN N N 12 119.255 119.255 117.966 1.289 18015 3095 1 11 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.151 -0.318 18015 3096 1 11 . 1 1 15 15 GLN CA C 12 59.436 59.436 57.571 1.865 18015 3097 1 11 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.054 -1.089 18015 3098 1 11 . 1 1 15 15 GLN H H 12 7.799 7.799 7.503 0.296 18015 3099 1 11 . 1 1 16 16 LEU N N 13 117.041 117.041 120.059 -3.018 18015 3100 1 11 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.746 -0.130 18015 3101 1 11 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.562 0.331 18015 3102 1 11 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.428 0.178 18015 3103 1 11 . 1 1 16 16 LEU H H 13 8.299 8.299 8.515 -0.216 18015 3104 1 11 . 1 1 17 17 GLN N N 14 118.025 118.025 117.151 0.874 18015 3105 1 11 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.022 -0.030 18015 3106 1 11 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.606 0.551 18015 3107 1 11 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.099 0.408 18015 3108 1 11 . 1 1 17 17 GLN H H 14 8.160 8.160 8.336 -0.176 18015 3109 1 11 . 1 1 18 18 GLU N N 15 119.789 119.789 119.115 0.674 18015 3110 1 11 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.302 -0.121 18015 3111 1 11 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.719 0.818 18015 3112 1 11 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.544 -0.094 18015 3113 1 11 . 1 1 18 18 GLU H H 15 7.582 7.582 7.607 -0.025 18015 3114 1 11 . 1 1 19 19 LEU N N 16 123.483 123.483 120.552 2.931 18015 3115 1 11 . 1 1 19 19 LEU HA H 16 3.513 3.513 4.035 -0.522 18015 3116 1 11 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.163 0.407 18015 3117 1 11 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.299 -3.433 18015 3118 1 11 . 1 1 19 19 LEU H H 16 8.313 8.313 7.439 0.874 18015 3119 1 11 . 1 1 20 20 GLU N N 17 119.146 119.146 119.716 -0.570 18015 3120 1 11 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.013 0.392 18015 3121 1 11 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.581 -0.651 18015 3122 1 11 . 1 1 20 20 GLU H H 17 8.257 8.257 8.569 -0.312 18015 3123 1 11 . 1 1 21 21 ALA N N 18 120.611 120.611 121.477 -0.866 18015 3124 1 11 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.146 0.034 18015 3125 1 11 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.891 0.293 18015 3126 1 11 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.064 -0.051 18015 3127 1 11 . 1 1 21 21 ALA H H 18 7.954 7.954 7.656 0.298 18015 3128 1 11 . 1 1 22 22 THR N N 19 113.517 113.517 116.053 -2.536 18015 3129 1 11 . 1 1 22 22 THR HA H 19 4.103 4.103 4.126 -0.023 18015 3130 1 11 . 1 1 22 22 THR CA C 19 66.956 66.956 66.786 0.170 18015 3131 1 11 . 1 1 22 22 THR CB C 19 68.338 68.338 68.833 -0.495 18015 3132 1 11 . 1 1 22 22 THR H H 19 7.940 7.940 7.560 0.380 18015 3133 1 11 . 1 1 23 23 PHE N N 20 125.431 125.431 121.268 4.163 18015 3134 1 11 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.663 -0.290 18015 3135 1 11 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.371 1.371 18015 3136 1 11 . 1 1 23 23 PHE H H 20 8.839 8.839 8.368 0.471 18015 3137 1 11 . 1 1 24 24 GLN N N 21 112.304 112.304 115.994 -3.690 18015 3138 1 11 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.262 -0.456 18015 3139 1 11 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.498 -0.092 18015 3140 1 11 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.832 -0.681 18015 3141 1 11 . 1 1 24 24 GLN H H 21 7.921 7.921 7.915 0.006 18015 3142 1 11 . 1 1 25 25 ARG N N 22 116.707 116.707 116.230 0.477 18015 3143 1 11 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.511 -0.147 18015 3144 1 11 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.224 0.922 18015 3145 1 11 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.718 -1.153 18015 3146 1 11 . 1 1 25 25 ARG H H 22 7.408 7.408 7.903 -0.495 18015 3147 1 11 . 1 1 26 26 ASN N N 23 119.274 119.274 118.815 0.459 18015 3148 1 11 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.818 -0.335 18015 3149 1 11 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.717 0.117 18015 3150 1 11 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.181 -1.617 18015 3151 1 11 . 1 1 26 26 ASN H H 23 8.251 8.251 8.395 -0.144 18015 3152 1 11 . 1 1 27 27 ARG N N 24 121.408 121.408 123.167 -1.759 18015 3153 1 11 . 1 1 27 27 ARG HA H 24 3.800 3.800 3.673 0.127 18015 3154 1 11 . 1 1 27 27 ARG CA C 24 57.646 57.646 56.753 0.893 18015 3155 1 11 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.772 1.231 18015 3156 1 11 . 1 1 27 27 ARG H H 24 8.400 8.400 8.547 -0.147 18015 3157 1 11 . 1 1 28 28 TYR N N 25 113.992 113.992 118.574 -4.582 18015 3158 1 11 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.777 -0.118 18015 3159 1 11 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.990 0.701 18015 3160 1 11 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.374 0.761 18015 3161 1 11 . 1 1 28 28 TYR H H 25 7.734 7.734 8.067 -0.333 18015 3162 1 11 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.264 0.147 18015 3163 1 11 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.497 0.168 18015 3164 1 11 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.418 -1.365 18015 3165 1 11 . 1 1 30 30 ASP N N 27 124.189 124.189 121.060 3.129 18015 3166 1 11 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.678 -0.184 18015 3167 1 11 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.413 -0.883 18015 3168 1 11 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.838 -3.265 18015 3169 1 11 . 1 1 30 30 ASP H H 27 8.467 8.467 8.022 0.445 18015 3170 1 11 . 1 1 31 31 MET N N 28 119.367 119.367 118.389 0.978 18015 3171 1 11 . 1 1 31 31 MET HA H 28 3.861 3.861 4.197 -0.336 18015 3172 1 11 . 1 1 31 31 MET CA C 28 60.361 60.361 58.312 2.049 18015 3173 1 11 . 1 1 31 31 MET CB C 28 32.022 32.022 32.688 -0.666 18015 3174 1 11 . 1 1 31 31 MET H H 28 8.687 8.687 8.510 0.177 18015 3175 1 11 . 1 1 32 32 SER N N 29 113.279 113.279 115.639 -2.360 18015 3176 1 11 . 1 1 32 32 SER HA H 29 4.245 4.245 4.252 -0.007 18015 3177 1 11 . 1 1 32 32 SER CA C 29 61.815 61.815 61.228 0.587 18015 3178 1 11 . 1 1 32 32 SER CB C 29 62.447 62.447 62.480 -0.033 18015 3179 1 11 . 1 1 32 32 SER H H 29 8.387 8.387 8.216 0.171 18015 3180 1 11 . 1 1 33 33 THR N N 30 120.829 120.829 120.127 0.702 18015 3181 1 11 . 1 1 33 33 THR HA H 30 4.004 4.004 4.086 -0.082 18015 3182 1 11 . 1 1 33 33 THR CA C 30 66.957 66.957 66.313 0.644 18015 3183 1 11 . 1 1 33 33 THR CB C 30 67.626 67.626 68.390 -0.764 18015 3184 1 11 . 1 1 33 33 THR H H 30 8.406 8.406 8.048 0.358 18015 3185 1 11 . 1 1 34 34 ARG N N 31 120.944 120.944 120.600 0.344 18015 3186 1 11 . 1 1 34 34 ARG HA H 31 3.870 3.870 4.013 -0.143 18015 3187 1 11 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.603 1.555 18015 3188 1 11 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.178 2.277 18015 3189 1 11 . 1 1 34 34 ARG H H 31 8.955 8.955 8.590 0.365 18015 3190 1 11 . 1 1 35 35 GLU N N 32 118.711 118.711 119.730 -1.019 18015 3191 1 11 . 1 1 35 35 GLU HA H 32 3.993 3.993 3.980 0.013 18015 3192 1 11 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.020 0.811 18015 3193 1 11 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.947 0.286 18015 3194 1 11 . 1 1 35 35 GLU H H 32 8.608 8.608 7.971 0.637 18015 3195 1 11 . 1 1 36 36 GLU N N 33 121.133 121.133 120.082 1.051 18015 3196 1 11 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.540 0.457 18015 3197 1 11 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.422 1.270 18015 3198 1 11 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.387 -0.035 18015 3199 1 11 . 1 1 36 36 GLU H H 33 7.639 7.639 7.558 0.081 18015 3200 1 11 . 1 1 37 37 ILE N N 34 119.761 119.761 119.984 -0.223 18015 3201 1 11 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.618 0.013 18015 3202 1 11 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.452 -0.724 18015 3203 1 11 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.822 0.709 18015 3204 1 11 . 1 1 37 37 ILE H H 34 8.415 8.415 8.213 0.202 18015 3205 1 11 . 1 1 38 38 ALA N N 35 124.272 124.272 120.594 3.678 18015 3206 1 11 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.251 -0.570 18015 3207 1 11 . 1 1 38 38 ALA CA C 35 55.709 55.709 53.946 1.763 18015 3208 1 11 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.433 -1.482 18015 3209 1 11 . 1 1 38 38 ALA H H 35 8.551 8.551 7.637 0.914 18015 3210 1 11 . 1 1 39 39 VAL N N 36 118.330 118.330 118.346 -0.016 18015 3211 1 11 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.701 0.117 18015 3212 1 11 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.584 -0.100 18015 3213 1 11 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.413 0.172 18015 3214 1 11 . 1 1 39 39 VAL H H 36 7.791 7.791 7.122 0.669 18015 3215 1 11 . 1 1 40 40 TRP N N 37 120.237 120.237 121.449 -1.212 18015 3216 1 11 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.366 0.265 18015 3217 1 11 . 1 1 40 40 TRP CA C 37 59.100 59.100 59.188 -0.088 18015 3218 1 11 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.503 0.312 18015 3219 1 11 . 1 1 40 40 TRP H H 37 8.109 8.109 8.015 0.094 18015 3220 1 11 . 1 1 41 41 THR N N 38 104.809 104.809 107.646 -2.837 18015 3221 1 11 . 1 1 41 41 THR HA H 38 4.374 4.374 4.383 -0.009 18015 3222 1 11 . 1 1 41 41 THR CA C 38 61.723 61.723 61.667 0.056 18015 3223 1 11 . 1 1 41 41 THR CB C 38 71.088 71.088 70.084 1.004 18015 3224 1 11 . 1 1 41 41 THR H H 38 8.011 8.011 7.881 0.130 18015 3225 1 11 . 1 1 42 42 ASN N N 39 118.978 118.978 119.011 -0.033 18015 3226 1 11 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.374 0.160 18015 3227 1 11 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.319 0.588 18015 3228 1 11 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.396 -0.111 18015 3229 1 11 . 1 1 42 42 ASN H H 39 7.925 7.925 7.905 0.020 18015 3230 1 11 . 1 1 43 43 LEU N N 40 120.124 120.124 118.552 1.572 18015 3231 1 11 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.402 0.643 18015 3232 1 11 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.976 -1.908 18015 3233 1 11 . 1 1 43 43 LEU CB C 40 47.111 47.111 42.579 4.532 18015 3234 1 11 . 1 1 43 43 LEU H H 40 8.635 8.635 7.564 1.071 18015 3235 1 11 . 1 1 44 44 THR N N 41 106.690 106.690 108.087 -1.397 18015 3236 1 11 . 1 1 44 44 THR HA H 41 4.715 4.715 4.554 0.161 18015 3237 1 11 . 1 1 44 44 THR CA C 41 59.511 59.511 59.643 -0.132 18015 3238 1 11 . 1 1 44 44 THR CB C 41 71.419 71.419 71.377 0.042 18015 3239 1 11 . 1 1 44 44 THR H H 41 7.081 7.081 7.921 -0.840 18015 3240 1 11 . 1 1 45 45 GLU N N 42 124.087 124.087 123.903 0.184 18015 3241 1 11 . 1 1 45 45 GLU HA H 42 3.630 3.630 4.062 -0.432 18015 3242 1 11 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.152 1.381 18015 3243 1 11 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.549 -1.133 18015 3244 1 11 . 1 1 45 45 GLU H H 42 9.452 9.452 8.877 0.575 18015 3245 1 11 . 1 1 46 46 ALA N N 43 119.687 119.687 121.348 -1.661 18015 3246 1 11 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.140 -0.130 18015 3247 1 11 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.934 0.685 18015 3248 1 11 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.197 0.402 18015 3249 1 11 . 1 1 46 46 ALA H H 43 8.467 8.467 8.333 0.134 18015 3250 1 11 . 1 1 47 47 ARG N N 44 116.856 116.856 117.605 -0.749 18015 3251 1 11 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.282 0.031 18015 3252 1 11 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.713 1.321 18015 3253 1 11 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.643 1.842 18015 3254 1 11 . 1 1 47 47 ARG H H 44 7.657 7.657 7.937 -0.280 18015 3255 1 11 . 1 1 48 48 VAL N N 45 120.046 120.046 120.366 -0.320 18015 3256 1 11 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.783 -0.019 18015 3257 1 11 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.648 0.660 18015 3258 1 11 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.279 1.256 18015 3259 1 11 . 1 1 48 48 VAL H H 45 8.008 8.008 7.732 0.276 18015 3260 1 11 . 1 1 49 49 ARG N N 46 121.544 121.544 120.327 1.217 18015 3261 1 11 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.138 -0.204 18015 3262 1 11 . 1 1 49 49 ARG CA C 46 60.608 60.608 59.679 0.929 18015 3263 1 11 . 1 1 49 49 ARG CB C 46 30.569 30.569 29.999 0.570 18015 3264 1 11 . 1 1 49 49 ARG H H 46 9.432 9.432 7.572 1.860 18015 3265 1 11 . 1 1 50 50 VAL N N 47 120.747 120.747 119.507 1.240 18015 3266 1 11 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.707 -0.065 18015 3267 1 11 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.562 0.525 18015 3268 1 11 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.597 0.870 18015 3269 1 11 . 1 1 50 50 VAL H H 47 8.103 8.103 8.201 -0.099 18015 3270 1 11 . 1 1 51 51 TRP N N 48 122.857 122.857 121.845 1.012 18015 3271 1 11 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.239 0.644 18015 3272 1 11 . 1 1 51 51 TRP H H 48 8.430 8.430 8.304 0.126 18015 3273 1 11 . 1 1 52 52 PHE N N 49 118.314 118.314 118.553 -0.239 18015 3274 1 11 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.175 -0.460 18015 3275 1 11 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.509 1.099 18015 3276 1 11 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.298 0.158 18015 3277 1 11 . 1 1 52 52 PHE H H 49 9.045 9.045 8.884 0.161 18015 3278 1 11 . 1 1 53 53 LYS N N 50 121.307 121.307 119.326 1.981 18015 3279 1 11 . 1 1 53 53 LYS HA H 50 3.942 3.942 4.050 -0.108 18015 3280 1 11 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.795 0.872 18015 3281 1 11 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.038 1.175 18015 3282 1 11 . 1 1 53 53 LYS H H 50 7.915 7.915 8.738 -0.823 18015 3283 1 11 . 1 1 54 54 ASN N N 51 119.377 119.377 119.382 -0.005 18015 3284 1 11 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.477 0.029 18015 3285 1 11 . 1 1 54 54 ASN CA C 51 56.168 56.168 56.057 0.111 18015 3286 1 11 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.139 0.094 18015 3287 1 11 . 1 1 54 54 ASN H H 51 8.669 8.669 8.042 0.627 18015 3288 1 11 . 1 1 55 55 ARG N N 52 125.530 125.530 120.387 5.143 18015 3289 1 11 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.663 0.019 18015 3290 1 11 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.493 -1.918 18015 3291 1 11 . 1 1 55 55 ARG H H 52 8.851 8.851 8.066 0.785 18015 3292 1 11 . 1 1 56 56 ARG N N 53 120.194 120.194 117.199 2.995 18015 3293 1 11 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.372 -0.073 18015 3294 1 11 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.477 2.786 18015 3295 1 11 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.125 1.354 18015 3296 1 11 . 1 1 56 56 ARG H H 53 8.620 8.620 7.610 1.010 18015 3297 1 11 . 1 1 57 57 ALA N N 54 121.998 121.998 123.396 -1.398 18015 3298 1 11 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.137 0.203 18015 3299 1 11 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.821 0.814 18015 3300 1 11 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.090 -0.600 18015 3301 1 11 . 1 1 57 57 ALA H H 54 7.386 7.386 8.194 -0.808 18015 3302 1 11 . 1 1 58 58 LYS N N 55 120.111 120.111 118.451 1.660 18015 3303 1 11 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.936 0.130 18015 3304 1 11 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.690 0.934 18015 3305 1 11 . 1 1 58 58 LYS H H 55 7.716 7.716 7.989 -0.273 18015 3306 1 11 . 1 1 59 59 TRP N N 56 121.249 121.249 121.399 -0.150 18015 3307 1 11 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.217 0.354 18015 3308 1 11 . 1 1 59 59 TRP CA C 56 60.423 60.423 61.319 -0.896 18015 3309 1 11 . 1 1 59 59 TRP CB C 56 29.651 29.651 28.944 0.707 18015 3310 1 11 . 1 1 59 59 TRP H H 56 8.362 8.362 7.722 0.640 18015 3311 1 11 . 1 1 60 60 ARG N N 57 117.543 117.543 117.722 -0.179 18015 3312 1 11 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.492 0.386 18015 3313 1 11 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.728 0.979 18015 3314 1 11 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.646 1.646 18015 3315 1 11 . 1 1 60 60 ARG H H 57 8.464 8.464 7.742 0.722 18015 3316 1 11 . 1 1 61 61 LYS N N 58 118.252 118.252 117.879 0.373 18015 3317 1 11 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.142 0.066 18015 3318 1 11 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.641 -0.342 18015 3319 1 11 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.234 0.898 18015 3320 1 11 . 1 1 61 61 LYS H H 58 7.770 7.770 8.422 -0.652 18015 3321 1 11 . 1 1 62 62 ARG N N 59 116.854 116.854 118.636 -1.782 18015 3322 1 11 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.331 0.072 18015 3323 1 11 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.868 -1.651 18015 3324 1 11 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.469 -0.268 18015 3325 1 11 . 1 1 62 62 ARG H H 59 7.978 7.978 7.532 0.446 18015 3326 1 11 . 1 1 63 63 GLU N N 60 119.450 119.450 115.732 3.718 18015 3327 1 11 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.540 -0.557 18015 3328 1 11 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.366 0.557 18015 3329 1 11 . 1 1 63 63 GLU CB C 60 30.001 30.001 31.160 -1.159 18015 3330 1 11 . 1 1 63 63 GLU H H 60 8.078 8.078 8.176 -0.098 18015 3331 1 11 . 1 1 64 64 GLU N N 61 120.134 120.134 117.305 2.829 18015 3332 1 11 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.826 -0.052 18015 3333 1 11 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.474 -2.025 18015 3334 1 11 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.721 1.176 18015 3335 1 11 . 1 1 64 64 GLU H H 61 7.889 7.889 8.423 -0.534 18015 3336 1 11 . 1 1 65 65 PHE N N 62 118.794 118.794 112.530 6.264 18015 3337 1 11 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.753 -0.175 18015 3338 1 11 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.746 -0.785 18015 3339 1 11 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.067 -1.770 18015 3340 1 11 . 1 1 65 65 PHE H H 62 7.731 7.731 7.885 -0.154 18015 3341 1 11 . 1 1 66 66 ILE N N 63 123.529 123.529 123.612 -0.083 18015 3342 1 11 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.805 0.325 18015 3343 1 11 . 1 1 66 66 ILE CA C 63 60.934 60.934 62.446 -1.512 18015 3344 1 11 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.694 0.849 18015 3345 1 11 . 1 1 66 66 ILE H H 63 7.802 7.802 6.783 1.019 18015 3346 1 11 . 1 1 67 67 VAL N N 64 125.799 125.799 129.838 -4.039 18015 3347 1 11 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.311 -0.114 18015 3348 1 11 . 1 1 67 67 VAL CA C 64 62.225 62.225 61.224 1.001 18015 3349 1 11 . 1 1 67 67 VAL CB C 64 32.811 32.811 34.079 -1.268 18015 3350 1 11 . 1 1 67 67 VAL H H 64 8.292 8.292 8.259 0.033 18015 3351 1 11 . 1 1 68 68 THR N N 65 118.825 118.825 118.662 0.163 18015 3352 1 11 . 1 1 68 68 THR HA H 65 4.440 4.440 4.410 0.030 18015 3353 1 11 . 1 1 68 68 THR CA C 65 61.236 61.236 61.623 -0.387 18015 3354 1 11 . 1 1 68 68 THR CB C 65 70.114 70.114 69.350 0.764 18015 3355 1 11 . 1 1 68 68 THR H H 65 8.353 8.353 8.041 0.312 18015 3356 1 12 . 1 1 5 5 ARG N N 2 123.855 123.855 119.282 4.573 18015 3357 1 12 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.758 -0.283 18015 3358 1 12 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.564 0.340 18015 3359 1 12 . 1 1 5 5 ARG H H 2 8.472 8.472 8.519 -0.047 18015 3360 1 12 . 1 1 6 6 ARG N N 3 125.147 125.147 121.499 3.648 18015 3361 1 12 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.350 -0.066 18015 3362 1 12 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.656 -0.271 18015 3363 1 12 . 1 1 6 6 ARG H H 3 9.078 9.078 8.577 0.501 18015 3364 1 12 . 1 1 7 7 GLN N N 4 122.134 122.134 120.399 1.735 18015 3365 1 12 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.808 -0.507 18015 3366 1 12 . 1 1 7 7 GLN CA C 4 55.571 55.571 54.815 0.756 18015 3367 1 12 . 1 1 7 7 GLN CB C 4 29.550 29.550 31.544 -1.994 18015 3368 1 12 . 1 1 7 7 GLN H H 4 8.475 8.475 8.365 0.110 18015 3369 1 12 . 1 1 8 8 ARG N N 5 124.132 124.132 120.033 4.099 18015 3370 1 12 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.725 -0.440 18015 3371 1 12 . 1 1 8 8 ARG H H 5 8.631 8.631 8.501 0.130 18015 3372 1 12 . 1 1 9 9 THR N N 6 125.523 125.523 116.703 8.820 18015 3373 1 12 . 1 1 9 9 THR HA H 6 3.831 3.831 3.915 -0.084 18015 3374 1 12 . 1 1 9 9 THR CA C 6 64.978 64.978 63.130 1.848 18015 3375 1 12 . 1 1 9 9 THR CB C 6 69.109 69.109 68.989 0.120 18015 3376 1 12 . 1 1 9 9 THR H H 6 8.036 8.036 8.055 -0.019 18015 3377 1 12 . 1 1 10 10 HIS N N 7 125.571 125.571 121.852 3.719 18015 3378 1 12 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.600 0.161 18015 3379 1 12 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.541 -1.772 18015 3380 1 12 . 1 1 10 10 HIS H H 7 8.690 8.690 7.907 0.783 18015 3381 1 12 . 1 1 11 11 PHE N N 8 126.330 126.330 120.654 5.676 18015 3382 1 12 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.931 -0.097 18015 3383 1 12 . 1 1 11 11 PHE CB C 8 40.533 40.533 39.784 0.749 18015 3384 1 12 . 1 1 11 11 PHE H H 8 8.703 8.703 7.474 1.229 18015 3385 1 12 . 1 1 12 12 THR N N 9 113.642 113.642 113.140 0.502 18015 3386 1 12 . 1 1 12 12 THR HA H 9 4.542 4.542 4.853 -0.311 18015 3387 1 12 . 1 1 12 12 THR CA C 9 60.379 60.379 60.330 0.049 18015 3388 1 12 . 1 1 12 12 THR H H 9 9.165 9.165 9.017 0.148 18015 3389 1 12 . 1 1 13 13 SER N N 10 116.602 116.602 118.067 -1.465 18015 3390 1 12 . 1 1 13 13 SER HA H 10 4.187 4.187 4.107 0.080 18015 3391 1 12 . 1 1 13 13 SER CA C 10 61.887 61.887 61.730 0.157 18015 3392 1 12 . 1 1 13 13 SER CB C 10 62.286 62.286 62.973 -0.687 18015 3393 1 12 . 1 1 13 13 SER H H 10 9.188 9.188 8.825 0.363 18015 3394 1 12 . 1 1 14 14 GLN N N 11 120.969 120.969 120.629 0.340 18015 3395 1 12 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.109 -0.056 18015 3396 1 12 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.320 1.258 18015 3397 1 12 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.199 -0.285 18015 3398 1 12 . 1 1 14 14 GLN H H 11 8.415 8.415 8.362 0.053 18015 3399 1 12 . 1 1 15 15 GLN N N 12 119.255 119.255 119.457 -0.202 18015 3400 1 12 . 1 1 15 15 GLN HA H 12 3.833 3.833 3.994 -0.162 18015 3401 1 12 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.647 0.789 18015 3402 1 12 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.901 -0.936 18015 3403 1 12 . 1 1 15 15 GLN H H 12 7.799 7.799 7.441 0.358 18015 3404 1 12 . 1 1 16 16 LEU N N 13 117.041 117.041 119.802 -2.761 18015 3405 1 12 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.684 -0.068 18015 3406 1 12 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.530 0.363 18015 3407 1 12 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.361 0.245 18015 3408 1 12 . 1 1 16 16 LEU H H 13 8.299 8.299 8.373 -0.074 18015 3409 1 12 . 1 1 17 17 GLN N N 14 118.025 118.025 118.177 -0.152 18015 3410 1 12 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.158 -0.166 18015 3411 1 12 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.684 0.473 18015 3412 1 12 . 1 1 17 17 GLN CB C 14 28.507 28.507 27.972 0.535 18015 3413 1 12 . 1 1 17 17 GLN H H 14 8.160 8.160 7.990 0.170 18015 3414 1 12 . 1 1 18 18 GLU N N 15 119.789 119.789 120.240 -0.451 18015 3415 1 12 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.184 -0.003 18015 3416 1 12 . 1 1 18 18 GLU CA C 15 58.538 58.538 58.420 0.117 18015 3417 1 12 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.446 0.004 18015 3418 1 12 . 1 1 18 18 GLU H H 15 7.582 7.582 7.585 -0.003 18015 3419 1 12 . 1 1 19 19 LEU N N 16 123.483 123.483 119.595 3.888 18015 3420 1 12 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.681 -0.168 18015 3421 1 12 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.395 0.175 18015 3422 1 12 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.855 -2.989 18015 3423 1 12 . 1 1 19 19 LEU H H 16 8.313 8.313 7.282 1.031 18015 3424 1 12 . 1 1 20 20 GLU N N 17 119.146 119.146 118.667 0.479 18015 3425 1 12 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.358 0.047 18015 3426 1 12 . 1 1 20 20 GLU CA C 17 58.930 58.930 58.987 -0.057 18015 3427 1 12 . 1 1 20 20 GLU H H 17 8.257 8.257 8.662 -0.405 18015 3428 1 12 . 1 1 21 21 ALA N N 18 120.611 120.611 123.273 -2.662 18015 3429 1 12 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.216 -0.036 18015 3430 1 12 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.951 0.233 18015 3431 1 12 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.243 -0.229 18015 3432 1 12 . 1 1 21 21 ALA H H 18 7.954 7.954 7.890 0.064 18015 3433 1 12 . 1 1 22 22 THR N N 19 113.517 113.517 116.082 -2.565 18015 3434 1 12 . 1 1 22 22 THR HA H 19 4.103 4.103 4.120 -0.017 18015 3435 1 12 . 1 1 22 22 THR CA C 19 66.956 66.956 66.687 0.269 18015 3436 1 12 . 1 1 22 22 THR CB C 19 68.338 68.338 68.920 -0.582 18015 3437 1 12 . 1 1 22 22 THR H H 19 7.940 7.940 7.946 -0.006 18015 3438 1 12 . 1 1 23 23 PHE N N 20 125.431 125.431 120.731 4.700 18015 3439 1 12 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.752 -0.379 18015 3440 1 12 . 1 1 23 23 PHE CA C 20 61.742 61.742 61.086 0.656 18015 3441 1 12 . 1 1 23 23 PHE H H 20 8.839 8.839 8.630 0.209 18015 3442 1 12 . 1 1 24 24 GLN N N 21 112.304 112.304 117.198 -4.894 18015 3443 1 12 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.048 -0.242 18015 3444 1 12 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.906 -0.500 18015 3445 1 12 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.562 -0.411 18015 3446 1 12 . 1 1 24 24 GLN H H 21 7.921 7.921 7.974 -0.053 18015 3447 1 12 . 1 1 25 25 ARG N N 22 116.707 116.707 117.449 -0.742 18015 3448 1 12 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.387 -0.023 18015 3449 1 12 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.160 0.985 18015 3450 1 12 . 1 1 25 25 ARG CB C 22 31.565 31.565 31.755 -0.190 18015 3451 1 12 . 1 1 25 25 ARG H H 22 7.408 7.408 7.832 -0.424 18015 3452 1 12 . 1 1 26 26 ASN N N 23 119.274 119.274 119.088 0.186 18015 3453 1 12 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.809 -0.326 18015 3454 1 12 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.144 0.690 18015 3455 1 12 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.823 -1.260 18015 3456 1 12 . 1 1 26 26 ASN H H 23 8.251 8.251 8.363 -0.112 18015 3457 1 12 . 1 1 27 27 ARG N N 24 121.408 121.408 124.365 -2.957 18015 3458 1 12 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.146 -0.346 18015 3459 1 12 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.293 0.353 18015 3460 1 12 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.817 1.186 18015 3461 1 12 . 1 1 27 27 ARG H H 24 8.400 8.400 8.267 0.133 18015 3462 1 12 . 1 1 28 28 TYR N N 25 113.992 113.992 118.188 -4.196 18015 3463 1 12 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.809 -0.151 18015 3464 1 12 . 1 1 28 28 TYR CA C 25 55.691 55.691 53.876 1.815 18015 3465 1 12 . 1 1 28 28 TYR CB C 25 39.135 39.135 38.293 0.842 18015 3466 1 12 . 1 1 28 28 TYR H H 25 7.734 7.734 7.677 0.057 18015 3467 1 12 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.473 -0.062 18015 3468 1 12 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.489 0.176 18015 3469 1 12 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.254 -1.201 18015 3470 1 12 . 1 1 30 30 ASP N N 27 124.189 124.189 120.496 3.693 18015 3471 1 12 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.614 -0.120 18015 3472 1 12 . 1 1 30 30 ASP CA C 27 52.530 52.530 52.715 -0.185 18015 3473 1 12 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.117 -2.544 18015 3474 1 12 . 1 1 30 30 ASP H H 27 8.467 8.467 8.217 0.250 18015 3475 1 12 . 1 1 31 31 MET N N 28 119.367 119.367 119.132 0.235 18015 3476 1 12 . 1 1 31 31 MET HA H 28 3.861 3.861 4.114 -0.253 18015 3477 1 12 . 1 1 31 31 MET CA C 28 60.361 60.361 58.563 1.798 18015 3478 1 12 . 1 1 31 31 MET CB C 28 32.022 32.022 31.349 0.673 18015 3479 1 12 . 1 1 31 31 MET H H 28 8.687 8.687 8.449 0.238 18015 3480 1 12 . 1 1 32 32 SER N N 29 113.279 113.279 114.311 -1.032 18015 3481 1 12 . 1 1 32 32 SER HA H 29 4.245 4.245 4.444 -0.199 18015 3482 1 12 . 1 1 32 32 SER CA C 29 61.815 61.815 59.909 1.906 18015 3483 1 12 . 1 1 32 32 SER CB C 29 62.447 62.447 62.742 -0.295 18015 3484 1 12 . 1 1 32 32 SER H H 29 8.387 8.387 8.243 0.144 18015 3485 1 12 . 1 1 33 33 THR N N 30 120.829 120.829 117.384 3.445 18015 3486 1 12 . 1 1 33 33 THR HA H 30 4.004 4.004 4.659 -0.654 18015 3487 1 12 . 1 1 33 33 THR CA C 30 66.957 66.957 64.895 2.062 18015 3488 1 12 . 1 1 33 33 THR CB C 30 67.626 67.626 69.467 -1.841 18015 3489 1 12 . 1 1 33 33 THR H H 30 8.406 8.406 7.779 0.627 18015 3490 1 12 . 1 1 34 34 ARG N N 31 120.944 120.944 122.165 -1.221 18015 3491 1 12 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.972 -0.102 18015 3492 1 12 . 1 1 34 34 ARG CA C 31 61.158 61.158 60.067 1.091 18015 3493 1 12 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.232 2.224 18015 3494 1 12 . 1 1 34 34 ARG H H 31 8.955 8.955 8.546 0.409 18015 3495 1 12 . 1 1 35 35 GLU N N 32 118.711 118.711 118.744 -0.033 18015 3496 1 12 . 1 1 35 35 GLU HA H 32 3.993 3.993 3.996 -0.003 18015 3497 1 12 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.356 0.475 18015 3498 1 12 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.861 0.372 18015 3499 1 12 . 1 1 35 35 GLU H H 32 8.608 8.608 8.349 0.259 18015 3500 1 12 . 1 1 36 36 GLU N N 33 121.133 121.133 120.535 0.598 18015 3501 1 12 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.494 0.503 18015 3502 1 12 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.462 1.230 18015 3503 1 12 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.149 0.203 18015 3504 1 12 . 1 1 36 36 GLU H H 33 7.639 7.639 7.661 -0.022 18015 3505 1 12 . 1 1 37 37 ILE N N 34 119.761 119.761 120.142 -0.381 18015 3506 1 12 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.520 0.111 18015 3507 1 12 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.345 -0.617 18015 3508 1 12 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.714 0.817 18015 3509 1 12 . 1 1 37 37 ILE H H 34 8.415 8.415 8.118 0.297 18015 3510 1 12 . 1 1 38 38 ALA N N 35 124.272 124.272 122.952 1.320 18015 3511 1 12 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.062 -0.381 18015 3512 1 12 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.904 0.805 18015 3513 1 12 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.366 -1.415 18015 3514 1 12 . 1 1 38 38 ALA H H 35 8.551 8.551 7.851 0.700 18015 3515 1 12 . 1 1 39 39 VAL N N 36 118.330 118.330 118.080 0.250 18015 3516 1 12 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.568 0.250 18015 3517 1 12 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.262 0.222 18015 3518 1 12 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.521 0.064 18015 3519 1 12 . 1 1 39 39 VAL H H 36 7.791 7.791 7.114 0.677 18015 3520 1 12 . 1 1 40 40 TRP N N 37 120.237 120.237 119.438 0.799 18015 3521 1 12 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.389 0.242 18015 3522 1 12 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.578 0.522 18015 3523 1 12 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.597 0.218 18015 3524 1 12 . 1 1 40 40 TRP H H 37 8.109 8.109 7.893 0.216 18015 3525 1 12 . 1 1 41 41 THR N N 38 104.809 104.809 106.459 -1.650 18015 3526 1 12 . 1 1 41 41 THR HA H 38 4.374 4.374 4.456 -0.082 18015 3527 1 12 . 1 1 41 41 THR CA C 38 61.723 61.723 60.773 0.950 18015 3528 1 12 . 1 1 41 41 THR CB C 38 71.088 71.088 70.069 1.019 18015 3529 1 12 . 1 1 41 41 THR H H 38 8.011 8.011 7.883 0.128 18015 3530 1 12 . 1 1 42 42 ASN N N 39 118.978 118.978 119.031 -0.053 18015 3531 1 12 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.397 0.137 18015 3532 1 12 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.505 0.402 18015 3533 1 12 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.901 -0.616 18015 3534 1 12 . 1 1 42 42 ASN H H 39 7.925 7.925 7.730 0.195 18015 3535 1 12 . 1 1 43 43 LEU N N 40 120.124 120.124 118.572 1.552 18015 3536 1 12 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.436 0.609 18015 3537 1 12 . 1 1 43 43 LEU CA C 40 53.068 53.068 55.816 -2.748 18015 3538 1 12 . 1 1 43 43 LEU CB C 40 47.111 47.111 42.934 4.177 18015 3539 1 12 . 1 1 43 43 LEU H H 40 8.635 8.635 7.869 0.766 18015 3540 1 12 . 1 1 44 44 THR N N 41 106.690 106.690 107.215 -0.525 18015 3541 1 12 . 1 1 44 44 THR HA H 41 4.715 4.715 4.552 0.163 18015 3542 1 12 . 1 1 44 44 THR CA C 41 59.511 59.511 59.437 0.075 18015 3543 1 12 . 1 1 44 44 THR CB C 41 71.419 71.419 71.915 -0.496 18015 3544 1 12 . 1 1 44 44 THR H H 41 7.081 7.081 7.776 -0.695 18015 3545 1 12 . 1 1 45 45 GLU N N 42 124.087 124.087 124.762 -0.675 18015 3546 1 12 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.897 -0.267 18015 3547 1 12 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.734 0.799 18015 3548 1 12 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.639 -1.223 18015 3549 1 12 . 1 1 45 45 GLU H H 42 9.452 9.452 8.939 0.513 18015 3550 1 12 . 1 1 46 46 ALA N N 43 119.687 119.687 121.530 -1.843 18015 3551 1 12 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.179 -0.169 18015 3552 1 12 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.152 0.467 18015 3553 1 12 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.080 0.519 18015 3554 1 12 . 1 1 46 46 ALA H H 43 8.467 8.467 8.598 -0.131 18015 3555 1 12 . 1 1 47 47 ARG N N 44 116.856 116.856 118.496 -1.640 18015 3556 1 12 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.250 0.063 18015 3557 1 12 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.165 0.869 18015 3558 1 12 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.523 1.962 18015 3559 1 12 . 1 1 47 47 ARG H H 44 7.657 7.657 7.849 -0.192 18015 3560 1 12 . 1 1 48 48 VAL N N 45 120.046 120.046 120.762 -0.716 18015 3561 1 12 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.820 -0.056 18015 3562 1 12 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.210 1.098 18015 3563 1 12 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.013 1.522 18015 3564 1 12 . 1 1 48 48 VAL H H 45 8.008 8.008 7.932 0.076 18015 3565 1 12 . 1 1 49 49 ARG N N 46 121.544 121.544 120.422 1.122 18015 3566 1 12 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.102 -0.168 18015 3567 1 12 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.197 0.411 18015 3568 1 12 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.342 0.227 18015 3569 1 12 . 1 1 49 49 ARG H H 46 9.432 9.432 8.442 0.990 18015 3570 1 12 . 1 1 50 50 VAL N N 47 120.747 120.747 118.799 1.948 18015 3571 1 12 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.862 -0.220 18015 3572 1 12 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.571 0.516 18015 3573 1 12 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.645 0.822 18015 3574 1 12 . 1 1 50 50 VAL H H 47 8.103 8.103 8.293 -0.190 18015 3575 1 12 . 1 1 51 51 TRP N N 48 122.857 122.857 122.000 0.857 18015 3576 1 12 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.202 0.681 18015 3577 1 12 . 1 1 51 51 TRP H H 48 8.430 8.430 8.052 0.378 18015 3578 1 12 . 1 1 52 52 PHE N N 49 118.314 118.314 118.622 -0.308 18015 3579 1 12 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.067 -0.352 18015 3580 1 12 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.501 1.107 18015 3581 1 12 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.314 0.142 18015 3582 1 12 . 1 1 52 52 PHE H H 49 9.045 9.045 8.392 0.653 18015 3583 1 12 . 1 1 53 53 LYS N N 50 121.307 121.307 117.956 3.351 18015 3584 1 12 . 1 1 53 53 LYS HA H 50 3.942 3.942 4.133 -0.191 18015 3585 1 12 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.124 1.543 18015 3586 1 12 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.783 1.430 18015 3587 1 12 . 1 1 53 53 LYS H H 50 7.915 7.915 7.859 0.056 18015 3588 1 12 . 1 1 54 54 ASN N N 51 119.377 119.377 119.010 0.367 18015 3589 1 12 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.622 -0.116 18015 3590 1 12 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.395 0.773 18015 3591 1 12 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.555 -0.322 18015 3592 1 12 . 1 1 54 54 ASN H H 51 8.669 8.669 7.704 0.965 18015 3593 1 12 . 1 1 55 55 ARG N N 52 125.530 125.530 120.815 4.715 18015 3594 1 12 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.596 0.086 18015 3595 1 12 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.991 -1.416 18015 3596 1 12 . 1 1 55 55 ARG H H 52 8.851 8.851 7.425 1.426 18015 3597 1 12 . 1 1 56 56 ARG N N 53 120.194 120.194 118.161 2.033 18015 3598 1 12 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.319 -0.020 18015 3599 1 12 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.937 2.326 18015 3600 1 12 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.643 1.836 18015 3601 1 12 . 1 1 56 56 ARG H H 53 8.620 8.620 7.642 0.978 18015 3602 1 12 . 1 1 57 57 ALA N N 54 121.998 121.998 122.727 -0.729 18015 3603 1 12 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.204 0.136 18015 3604 1 12 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.654 0.980 18015 3605 1 12 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.118 -0.628 18015 3606 1 12 . 1 1 57 57 ALA H H 54 7.386 7.386 7.789 -0.403 18015 3607 1 12 . 1 1 58 58 LYS N N 55 120.111 120.111 118.575 1.536 18015 3608 1 12 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.028 0.038 18015 3609 1 12 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.907 0.717 18015 3610 1 12 . 1 1 58 58 LYS H H 55 7.716 7.716 7.824 -0.108 18015 3611 1 12 . 1 1 59 59 TRP N N 56 121.249 121.249 120.094 1.155 18015 3612 1 12 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.527 0.044 18015 3613 1 12 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.902 0.521 18015 3614 1 12 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.636 0.015 18015 3615 1 12 . 1 1 59 59 TRP H H 56 8.362 8.362 7.970 0.392 18015 3616 1 12 . 1 1 60 60 ARG N N 57 117.543 117.543 118.966 -1.423 18015 3617 1 12 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.123 -0.245 18015 3618 1 12 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.199 1.508 18015 3619 1 12 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.904 1.387 18015 3620 1 12 . 1 1 60 60 ARG H H 57 8.464 8.464 7.752 0.712 18015 3621 1 12 . 1 1 61 61 LYS N N 58 118.252 118.252 119.617 -1.365 18015 3622 1 12 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.119 0.089 18015 3623 1 12 . 1 1 61 61 LYS CA C 58 58.299 58.299 59.288 -0.990 18015 3624 1 12 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.152 0.980 18015 3625 1 12 . 1 1 61 61 LYS H H 58 7.770 7.770 8.490 -0.720 18015 3626 1 12 . 1 1 62 62 ARG N N 59 116.854 116.854 118.485 -1.631 18015 3627 1 12 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.250 0.153 18015 3628 1 12 . 1 1 62 62 ARG CA C 59 56.217 56.217 58.259 -2.042 18015 3629 1 12 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.030 0.171 18015 3630 1 12 . 1 1 62 62 ARG H H 59 7.978 7.978 7.750 0.228 18015 3631 1 12 . 1 1 63 63 GLU N N 60 119.450 119.450 116.364 3.086 18015 3632 1 12 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.475 -0.492 18015 3633 1 12 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.886 1.037 18015 3634 1 12 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.616 -0.615 18015 3635 1 12 . 1 1 63 63 GLU H H 60 8.078 8.078 7.928 0.150 18015 3636 1 12 . 1 1 64 64 GLU N N 61 120.134 120.134 119.170 0.964 18015 3637 1 12 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.738 0.036 18015 3638 1 12 . 1 1 64 64 GLU CA C 61 57.450 57.450 57.429 0.021 18015 3639 1 12 . 1 1 64 64 GLU CB C 61 29.897 29.897 26.883 3.014 18015 3640 1 12 . 1 1 64 64 GLU H H 61 7.889 7.889 8.285 -0.396 18015 3641 1 12 . 1 1 65 65 PHE N N 62 118.794 118.794 109.095 9.699 18015 3642 1 12 . 1 1 65 65 PHE HA H 62 4.578 4.578 2.246 2.332 18015 3643 1 12 . 1 1 65 65 PHE CA C 62 56.961 56.961 58.046 -1.085 18015 3644 1 12 . 1 1 65 65 PHE CB C 62 39.297 39.297 35.041 4.256 18015 3645 1 12 . 1 1 65 65 PHE H H 62 7.731 7.731 7.728 0.003 18015 3646 1 12 . 1 1 66 66 ILE N N 63 123.529 123.529 121.412 2.117 18015 3647 1 12 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.181 -0.051 18015 3648 1 12 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.708 -0.774 18015 3649 1 12 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.683 -0.140 18015 3650 1 12 . 1 1 66 66 ILE H H 63 7.802 7.802 7.292 0.510 18015 3651 1 12 . 1 1 67 67 VAL N N 64 125.799 125.799 121.606 4.193 18015 3652 1 12 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.470 -0.273 18015 3653 1 12 . 1 1 67 67 VAL CA C 64 62.225 62.225 63.118 -0.894 18015 3654 1 12 . 1 1 67 67 VAL CB C 64 32.811 32.811 31.227 1.584 18015 3655 1 12 . 1 1 67 67 VAL H H 64 8.292 8.292 8.556 -0.264 18015 3656 1 12 . 1 1 68 68 THR N N 65 118.825 118.825 112.282 6.543 18015 3657 1 12 . 1 1 68 68 THR HA H 65 4.440 4.440 4.106 0.334 18015 3658 1 12 . 1 1 68 68 THR CA C 65 61.236 61.236 63.517 -2.281 18015 3659 1 12 . 1 1 68 68 THR CB C 65 70.114 70.114 68.673 1.441 18015 3660 1 12 . 1 1 68 68 THR H H 65 8.353 8.353 8.056 0.297 18015 3661 1 13 . 1 1 5 5 ARG N N 2 123.855 123.855 120.790 3.065 18015 3662 1 13 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.595 -0.120 18015 3663 1 13 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.668 0.236 18015 3664 1 13 . 1 1 5 5 ARG H H 2 8.472 8.472 8.374 0.098 18015 3665 1 13 . 1 1 6 6 ARG N N 3 125.147 125.147 121.053 4.094 18015 3666 1 13 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.235 0.049 18015 3667 1 13 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.943 -0.558 18015 3668 1 13 . 1 1 6 6 ARG H H 3 9.078 9.078 8.639 0.439 18015 3669 1 13 . 1 1 7 7 GLN N N 4 122.134 122.134 120.079 2.055 18015 3670 1 13 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.693 -0.392 18015 3671 1 13 . 1 1 7 7 GLN CA C 4 55.571 55.571 54.776 0.795 18015 3672 1 13 . 1 1 7 7 GLN CB C 4 29.550 29.550 32.206 -2.656 18015 3673 1 13 . 1 1 7 7 GLN H H 4 8.475 8.475 8.405 0.070 18015 3674 1 13 . 1 1 8 8 ARG N N 5 124.132 124.132 121.472 2.660 18015 3675 1 13 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.565 -0.280 18015 3676 1 13 . 1 1 8 8 ARG H H 5 8.631 8.631 8.751 -0.120 18015 3677 1 13 . 1 1 9 9 THR N N 6 125.523 125.523 115.004 10.519 18015 3678 1 13 . 1 1 9 9 THR HA H 6 3.831 3.831 4.203 -0.372 18015 3679 1 13 . 1 1 9 9 THR CA C 6 64.978 64.978 62.648 2.330 18015 3680 1 13 . 1 1 9 9 THR CB C 6 69.109 69.109 69.265 -0.156 18015 3681 1 13 . 1 1 9 9 THR H H 6 8.036 8.036 8.319 -0.283 18015 3682 1 13 . 1 1 10 10 HIS N N 7 125.571 125.571 121.668 3.903 18015 3683 1 13 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.651 0.110 18015 3684 1 13 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.353 -1.584 18015 3685 1 13 . 1 1 10 10 HIS H H 7 8.690 8.690 8.186 0.504 18015 3686 1 13 . 1 1 11 11 PHE N N 8 126.330 126.330 124.090 2.240 18015 3687 1 13 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.608 0.226 18015 3688 1 13 . 1 1 11 11 PHE CB C 8 40.533 40.533 40.209 0.324 18015 3689 1 13 . 1 1 11 11 PHE H H 8 8.703 8.703 8.779 -0.076 18015 3690 1 13 . 1 1 12 12 THR N N 9 113.642 113.642 114.829 -1.187 18015 3691 1 13 . 1 1 12 12 THR HA H 9 4.542 4.542 4.315 0.227 18015 3692 1 13 . 1 1 12 12 THR CA C 9 60.379 60.379 60.860 -0.481 18015 3693 1 13 . 1 1 12 12 THR H H 9 9.165 9.165 8.047 1.118 18015 3694 1 13 . 1 1 13 13 SER N N 10 116.602 116.602 119.920 -3.318 18015 3695 1 13 . 1 1 13 13 SER HA H 10 4.187 4.187 4.090 0.097 18015 3696 1 13 . 1 1 13 13 SER CA C 10 61.887 61.887 61.688 0.199 18015 3697 1 13 . 1 1 13 13 SER CB C 10 62.286 62.286 62.877 -0.591 18015 3698 1 13 . 1 1 13 13 SER H H 10 9.188 9.188 8.742 0.446 18015 3699 1 13 . 1 1 14 14 GLN N N 11 120.969 120.969 119.675 1.294 18015 3700 1 13 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.103 -0.050 18015 3701 1 13 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.261 1.317 18015 3702 1 13 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.095 -0.181 18015 3703 1 13 . 1 1 14 14 GLN H H 11 8.415 8.415 8.483 -0.068 18015 3704 1 13 . 1 1 15 15 GLN N N 12 119.255 119.255 117.511 1.744 18015 3705 1 13 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.206 -0.373 18015 3706 1 13 . 1 1 15 15 GLN CA C 12 59.436 59.436 56.988 2.448 18015 3707 1 13 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.023 -1.058 18015 3708 1 13 . 1 1 15 15 GLN H H 12 7.799 7.799 7.719 0.080 18015 3709 1 13 . 1 1 16 16 LEU N N 13 117.041 117.041 121.536 -4.495 18015 3710 1 13 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.704 -0.088 18015 3711 1 13 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.691 0.202 18015 3712 1 13 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.355 0.251 18015 3713 1 13 . 1 1 16 16 LEU H H 13 8.299 8.299 8.371 -0.072 18015 3714 1 13 . 1 1 17 17 GLN N N 14 118.025 118.025 115.143 2.882 18015 3715 1 13 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.063 -0.071 18015 3716 1 13 . 1 1 17 17 GLN CA C 14 59.157 59.157 57.946 1.211 18015 3717 1 13 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.116 0.390 18015 3718 1 13 . 1 1 17 17 GLN H H 14 8.160 8.160 8.179 -0.019 18015 3719 1 13 . 1 1 18 18 GLU N N 15 119.789 119.789 117.441 2.348 18015 3720 1 13 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.550 -0.369 18015 3721 1 13 . 1 1 18 18 GLU CA C 15 58.538 58.538 56.451 2.087 18015 3722 1 13 . 1 1 18 18 GLU CB C 15 29.450 29.450 31.387 -1.937 18015 3723 1 13 . 1 1 18 18 GLU H H 15 7.582 7.582 7.720 -0.138 18015 3724 1 13 . 1 1 19 19 LEU N N 16 123.483 123.483 121.164 2.319 18015 3725 1 13 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.851 -0.338 18015 3726 1 13 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.626 -0.056 18015 3727 1 13 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.030 -3.164 18015 3728 1 13 . 1 1 19 19 LEU H H 16 8.313 8.313 8.436 -0.123 18015 3729 1 13 . 1 1 20 20 GLU N N 17 119.146 119.146 119.185 -0.039 18015 3730 1 13 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.152 0.253 18015 3731 1 13 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.504 -0.574 18015 3732 1 13 . 1 1 20 20 GLU H H 17 8.257 8.257 8.211 0.046 18015 3733 1 13 . 1 1 21 21 ALA N N 18 120.611 120.611 121.665 -1.054 18015 3734 1 13 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.142 0.038 18015 3735 1 13 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.975 0.208 18015 3736 1 13 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.055 -0.041 18015 3737 1 13 . 1 1 21 21 ALA H H 18 7.954 7.954 7.767 0.187 18015 3738 1 13 . 1 1 22 22 THR N N 19 113.517 113.517 115.931 -2.414 18015 3739 1 13 . 1 1 22 22 THR HA H 19 4.103 4.103 4.183 -0.080 18015 3740 1 13 . 1 1 22 22 THR CA C 19 66.956 66.956 66.394 0.562 18015 3741 1 13 . 1 1 22 22 THR CB C 19 68.338 68.338 69.196 -0.858 18015 3742 1 13 . 1 1 22 22 THR H H 19 7.940 7.940 7.693 0.247 18015 3743 1 13 . 1 1 23 23 PHE N N 20 125.431 125.431 123.852 1.579 18015 3744 1 13 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.717 -0.344 18015 3745 1 13 . 1 1 23 23 PHE CA C 20 61.742 61.742 61.047 0.695 18015 3746 1 13 . 1 1 23 23 PHE H H 20 8.839 8.839 8.816 0.023 18015 3747 1 13 . 1 1 24 24 GLN N N 21 112.304 112.304 117.310 -5.006 18015 3748 1 13 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.008 -0.202 18015 3749 1 13 . 1 1 24 24 GLN CA C 21 57.406 57.406 58.156 -0.750 18015 3750 1 13 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.578 -0.426 18015 3751 1 13 . 1 1 24 24 GLN H H 21 7.921 7.921 8.674 -0.753 18015 3752 1 13 . 1 1 25 25 ARG N N 22 116.707 116.707 114.580 2.127 18015 3753 1 13 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.401 -0.037 18015 3754 1 13 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.152 0.993 18015 3755 1 13 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.096 -0.531 18015 3756 1 13 . 1 1 25 25 ARG H H 22 7.408 7.408 7.725 -0.317 18015 3757 1 13 . 1 1 26 26 ASN N N 23 119.274 119.274 118.420 0.854 18015 3758 1 13 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.849 -0.366 18015 3759 1 13 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.647 0.187 18015 3760 1 13 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.432 -1.869 18015 3761 1 13 . 1 1 26 26 ASN H H 23 8.251 8.251 8.289 -0.038 18015 3762 1 13 . 1 1 27 27 ARG N N 24 121.408 121.408 122.341 -0.933 18015 3763 1 13 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.339 -0.539 18015 3764 1 13 . 1 1 27 27 ARG CA C 24 57.646 57.646 55.970 1.676 18015 3765 1 13 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.827 1.176 18015 3766 1 13 . 1 1 27 27 ARG H H 24 8.400 8.400 8.712 -0.312 18015 3767 1 13 . 1 1 28 28 TYR N N 25 113.992 113.992 119.254 -5.262 18015 3768 1 13 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.935 -0.277 18015 3769 1 13 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.714 -0.023 18015 3770 1 13 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.432 1.703 18015 3771 1 13 . 1 1 28 28 TYR H H 25 7.734 7.734 8.265 -0.531 18015 3772 1 13 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.284 0.127 18015 3773 1 13 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.834 -0.168 18015 3774 1 13 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.051 -0.998 18015 3775 1 13 . 1 1 30 30 ASP N N 27 124.189 124.189 121.087 3.102 18015 3776 1 13 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.551 -0.057 18015 3777 1 13 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.574 -1.044 18015 3778 1 13 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.850 -2.277 18015 3779 1 13 . 1 1 30 30 ASP H H 27 8.467 8.467 8.472 -0.005 18015 3780 1 13 . 1 1 31 31 MET N N 28 119.367 119.367 122.396 -3.029 18015 3781 1 13 . 1 1 31 31 MET HA H 28 3.861 3.861 3.994 -0.133 18015 3782 1 13 . 1 1 31 31 MET CA C 28 60.361 60.361 58.374 1.987 18015 3783 1 13 . 1 1 31 31 MET CB C 28 32.022 32.022 32.366 -0.344 18015 3784 1 13 . 1 1 31 31 MET H H 28 8.687 8.687 8.486 0.201 18015 3785 1 13 . 1 1 32 32 SER N N 29 113.279 113.279 115.348 -2.069 18015 3786 1 13 . 1 1 32 32 SER HA H 29 4.245 4.245 4.173 0.072 18015 3787 1 13 . 1 1 32 32 SER CA C 29 61.815 61.815 61.820 -0.005 18015 3788 1 13 . 1 1 32 32 SER CB C 29 62.447 62.447 62.203 0.244 18015 3789 1 13 . 1 1 32 32 SER H H 29 8.387 8.387 8.682 -0.295 18015 3790 1 13 . 1 1 33 33 THR N N 30 120.829 120.829 119.971 0.858 18015 3791 1 13 . 1 1 33 33 THR HA H 30 4.004 4.004 4.047 -0.043 18015 3792 1 13 . 1 1 33 33 THR CA C 30 66.957 66.957 67.402 -0.445 18015 3793 1 13 . 1 1 33 33 THR CB C 30 67.626 67.626 68.296 -0.670 18015 3794 1 13 . 1 1 33 33 THR H H 30 8.406 8.406 8.213 0.193 18015 3795 1 13 . 1 1 34 34 ARG N N 31 120.944 120.944 120.656 0.288 18015 3796 1 13 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.937 -0.067 18015 3797 1 13 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.595 1.563 18015 3798 1 13 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.156 2.299 18015 3799 1 13 . 1 1 34 34 ARG H H 31 8.955 8.955 8.450 0.505 18015 3800 1 13 . 1 1 35 35 GLU N N 32 118.711 118.711 119.503 -0.792 18015 3801 1 13 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.011 -0.018 18015 3802 1 13 . 1 1 35 35 GLU CA C 32 59.831 59.831 58.936 0.895 18015 3803 1 13 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.966 0.267 18015 3804 1 13 . 1 1 35 35 GLU H H 32 8.608 8.608 8.330 0.278 18015 3805 1 13 . 1 1 36 36 GLU N N 33 121.133 121.133 120.356 0.777 18015 3806 1 13 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.601 0.396 18015 3807 1 13 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.632 1.060 18015 3808 1 13 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.530 -0.178 18015 3809 1 13 . 1 1 36 36 GLU H H 33 7.639 7.639 7.777 -0.138 18015 3810 1 13 . 1 1 37 37 ILE N N 34 119.761 119.761 119.943 -0.182 18015 3811 1 13 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.435 0.196 18015 3812 1 13 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.179 -0.451 18015 3813 1 13 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.686 0.845 18015 3814 1 13 . 1 1 37 37 ILE H H 34 8.415 8.415 8.082 0.333 18015 3815 1 13 . 1 1 38 38 ALA N N 35 124.272 124.272 121.926 2.346 18015 3816 1 13 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.149 -0.468 18015 3817 1 13 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.592 1.117 18015 3818 1 13 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.366 -1.415 18015 3819 1 13 . 1 1 38 38 ALA H H 35 8.551 8.551 7.863 0.688 18015 3820 1 13 . 1 1 39 39 VAL N N 36 118.330 118.330 118.379 -0.049 18015 3821 1 13 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.669 0.149 18015 3822 1 13 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.485 -0.001 18015 3823 1 13 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.356 0.229 18015 3824 1 13 . 1 1 39 39 VAL H H 36 7.791 7.791 7.097 0.694 18015 3825 1 13 . 1 1 40 40 TRP N N 37 120.237 120.237 121.086 -0.849 18015 3826 1 13 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.410 0.221 18015 3827 1 13 . 1 1 40 40 TRP CA C 37 59.100 59.100 59.102 -0.002 18015 3828 1 13 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.273 0.543 18015 3829 1 13 . 1 1 40 40 TRP H H 37 8.109 8.109 7.403 0.706 18015 3830 1 13 . 1 1 41 41 THR N N 38 104.809 104.809 106.514 -1.705 18015 3831 1 13 . 1 1 41 41 THR HA H 38 4.374 4.374 4.511 -0.137 18015 3832 1 13 . 1 1 41 41 THR CA C 38 61.723 61.723 61.182 0.541 18015 3833 1 13 . 1 1 41 41 THR CB C 38 71.088 71.088 70.061 1.027 18015 3834 1 13 . 1 1 41 41 THR H H 38 8.011 8.011 7.646 0.365 18015 3835 1 13 . 1 1 42 42 ASN N N 39 118.978 118.978 118.584 0.394 18015 3836 1 13 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.325 0.209 18015 3837 1 13 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.212 0.695 18015 3838 1 13 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.234 0.051 18015 3839 1 13 . 1 1 42 42 ASN H H 39 7.925 7.925 7.836 0.089 18015 3840 1 13 . 1 1 43 43 LEU N N 40 120.124 120.124 118.760 1.364 18015 3841 1 13 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.584 0.461 18015 3842 1 13 . 1 1 43 43 LEU CA C 40 53.068 53.068 55.004 -1.936 18015 3843 1 13 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.198 3.913 18015 3844 1 13 . 1 1 43 43 LEU H H 40 8.635 8.635 7.909 0.726 18015 3845 1 13 . 1 1 44 44 THR N N 41 106.690 106.690 107.876 -1.186 18015 3846 1 13 . 1 1 44 44 THR HA H 41 4.715 4.715 4.514 0.201 18015 3847 1 13 . 1 1 44 44 THR CA C 41 59.511 59.511 59.233 0.278 18015 3848 1 13 . 1 1 44 44 THR CB C 41 71.419 71.419 71.056 0.363 18015 3849 1 13 . 1 1 44 44 THR H H 41 7.081 7.081 7.862 -0.781 18015 3850 1 13 . 1 1 45 45 GLU N N 42 124.087 124.087 125.423 -1.336 18015 3851 1 13 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.858 -0.228 18015 3852 1 13 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.225 1.308 18015 3853 1 13 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.386 -0.970 18015 3854 1 13 . 1 1 45 45 GLU H H 42 9.452 9.452 8.977 0.475 18015 3855 1 13 . 1 1 46 46 ALA N N 43 119.687 119.687 120.992 -1.305 18015 3856 1 13 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.162 -0.152 18015 3857 1 13 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.896 0.723 18015 3858 1 13 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.127 0.472 18015 3859 1 13 . 1 1 46 46 ALA H H 43 8.467 8.467 8.534 -0.067 18015 3860 1 13 . 1 1 47 47 ARG N N 44 116.856 116.856 118.568 -1.712 18015 3861 1 13 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.238 0.075 18015 3862 1 13 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.191 0.843 18015 3863 1 13 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.813 1.672 18015 3864 1 13 . 1 1 47 47 ARG H H 44 7.657 7.657 7.939 -0.282 18015 3865 1 13 . 1 1 48 48 VAL N N 45 120.046 120.046 121.079 -1.033 18015 3866 1 13 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.678 0.086 18015 3867 1 13 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.798 0.510 18015 3868 1 13 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.338 1.197 18015 3869 1 13 . 1 1 48 48 VAL H H 45 8.008 8.008 7.686 0.322 18015 3870 1 13 . 1 1 49 49 ARG N N 46 121.544 121.544 119.750 1.794 18015 3871 1 13 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.001 -0.067 18015 3872 1 13 . 1 1 49 49 ARG CA C 46 60.608 60.608 59.958 0.650 18015 3873 1 13 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.243 0.326 18015 3874 1 13 . 1 1 49 49 ARG H H 46 9.432 9.432 8.156 1.276 18015 3875 1 13 . 1 1 50 50 VAL N N 47 120.747 120.747 119.278 1.469 18015 3876 1 13 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.762 -0.120 18015 3877 1 13 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.006 0.081 18015 3878 1 13 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.274 1.193 18015 3879 1 13 . 1 1 50 50 VAL H H 47 8.103 8.103 8.353 -0.250 18015 3880 1 13 . 1 1 51 51 TRP N N 48 122.857 122.857 122.473 0.384 18015 3881 1 13 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.066 0.817 18015 3882 1 13 . 1 1 51 51 TRP H H 48 8.430 8.430 8.144 0.286 18015 3883 1 13 . 1 1 52 52 PHE N N 49 118.314 118.314 118.758 -0.444 18015 3884 1 13 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.904 -0.189 18015 3885 1 13 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.636 0.972 18015 3886 1 13 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.262 0.194 18015 3887 1 13 . 1 1 52 52 PHE H H 49 9.045 9.045 8.613 0.432 18015 3888 1 13 . 1 1 53 53 LYS N N 50 121.307 121.307 119.309 1.998 18015 3889 1 13 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.969 -0.027 18015 3890 1 13 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.086 0.582 18015 3891 1 13 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.020 1.192 18015 3892 1 13 . 1 1 53 53 LYS H H 50 7.915 7.915 8.443 -0.528 18015 3893 1 13 . 1 1 54 54 ASN N N 51 119.377 119.377 119.611 -0.234 18015 3894 1 13 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.371 0.135 18015 3895 1 13 . 1 1 54 54 ASN CA C 51 56.168 56.168 56.119 0.049 18015 3896 1 13 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.089 0.144 18015 3897 1 13 . 1 1 54 54 ASN H H 51 8.669 8.669 8.444 0.225 18015 3898 1 13 . 1 1 55 55 ARG N N 52 125.530 125.530 120.965 4.565 18015 3899 1 13 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.585 0.097 18015 3900 1 13 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.691 -1.116 18015 3901 1 13 . 1 1 55 55 ARG H H 52 8.851 8.851 7.686 1.165 18015 3902 1 13 . 1 1 56 56 ARG N N 53 120.194 120.194 119.638 0.556 18015 3903 1 13 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.336 -0.037 18015 3904 1 13 . 1 1 56 56 ARG CA C 53 61.263 61.263 59.575 1.688 18015 3905 1 13 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.227 1.252 18015 3906 1 13 . 1 1 56 56 ARG H H 53 8.620 8.620 8.174 0.446 18015 3907 1 13 . 1 1 57 57 ALA N N 54 121.998 121.998 122.971 -0.973 18015 3908 1 13 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.095 0.245 18015 3909 1 13 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.390 0.245 18015 3910 1 13 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.109 -0.619 18015 3911 1 13 . 1 1 57 57 ALA H H 54 7.386 7.386 8.647 -1.261 18015 3912 1 13 . 1 1 58 58 LYS N N 55 120.111 120.111 118.830 1.281 18015 3913 1 13 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.996 0.070 18015 3914 1 13 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.802 0.822 18015 3915 1 13 . 1 1 58 58 LYS H H 55 7.716 7.716 8.059 -0.343 18015 3916 1 13 . 1 1 59 59 TRP N N 56 121.249 121.249 121.932 -0.683 18015 3917 1 13 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.245 0.326 18015 3918 1 13 . 1 1 59 59 TRP CA C 56 60.423 60.423 61.042 -0.619 18015 3919 1 13 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.345 0.306 18015 3920 1 13 . 1 1 59 59 TRP H H 56 8.362 8.362 8.693 -0.331 18015 3921 1 13 . 1 1 60 60 ARG N N 57 117.543 117.543 117.359 0.184 18015 3922 1 13 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.543 0.335 18015 3923 1 13 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.373 1.335 18015 3924 1 13 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.523 1.769 18015 3925 1 13 . 1 1 60 60 ARG H H 57 8.464 8.464 8.403 0.061 18015 3926 1 13 . 1 1 61 61 LYS N N 58 118.252 118.252 117.508 0.744 18015 3927 1 13 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.257 -0.049 18015 3928 1 13 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.630 -0.331 18015 3929 1 13 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.608 0.524 18015 3930 1 13 . 1 1 61 61 LYS H H 58 7.770 7.770 8.376 -0.606 18015 3931 1 13 . 1 1 62 62 ARG N N 59 116.854 116.854 119.056 -2.202 18015 3932 1 13 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.323 0.080 18015 3933 1 13 . 1 1 62 62 ARG CA C 59 56.217 56.217 58.217 -2.000 18015 3934 1 13 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.591 -0.390 18015 3935 1 13 . 1 1 62 62 ARG H H 59 7.978 7.978 8.314 -0.336 18015 3936 1 13 . 1 1 63 63 GLU N N 60 119.450 119.450 117.002 2.448 18015 3937 1 13 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.420 -0.437 18015 3938 1 13 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.395 0.528 18015 3939 1 13 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.481 -0.480 18015 3940 1 13 . 1 1 63 63 GLU H H 60 8.078 8.078 8.022 0.056 18015 3941 1 13 . 1 1 64 64 GLU N N 61 120.134 120.134 117.066 3.068 18015 3942 1 13 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.870 -0.096 18015 3943 1 13 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.932 -1.482 18015 3944 1 13 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.228 0.669 18015 3945 1 13 . 1 1 64 64 GLU H H 61 7.889 7.889 8.568 -0.679 18015 3946 1 13 . 1 1 65 65 PHE N N 62 118.794 118.794 111.608 7.186 18015 3947 1 13 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.730 -0.152 18015 3948 1 13 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.708 -0.747 18015 3949 1 13 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.076 -1.779 18015 3950 1 13 . 1 1 65 65 PHE H H 62 7.731 7.731 7.734 -0.003 18015 3951 1 13 . 1 1 66 66 ILE N N 63 123.529 123.529 119.536 3.993 18015 3952 1 13 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.491 0.639 18015 3953 1 13 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.361 -0.427 18015 3954 1 13 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.129 0.414 18015 3955 1 13 . 1 1 66 66 ILE H H 63 7.802 7.802 6.866 0.936 18015 3956 1 13 . 1 1 67 67 VAL N N 64 125.799 125.799 124.707 1.092 18015 3957 1 13 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.182 0.015 18015 3958 1 13 . 1 1 67 67 VAL CA C 64 62.225 62.225 63.535 -1.310 18015 3959 1 13 . 1 1 67 67 VAL CB C 64 32.811 32.811 32.222 0.589 18015 3960 1 13 . 1 1 67 67 VAL H H 64 8.292 8.292 7.945 0.347 18015 3961 1 13 . 1 1 68 68 THR N N 65 118.825 118.825 118.293 0.532 18015 3962 1 13 . 1 1 68 68 THR HA H 65 4.440 4.440 4.429 0.011 18015 3963 1 13 . 1 1 68 68 THR CA C 65 61.236 61.236 61.736 -0.500 18015 3964 1 13 . 1 1 68 68 THR CB C 65 70.114 70.114 69.719 0.395 18015 3965 1 13 . 1 1 68 68 THR H H 65 8.353 8.353 8.337 0.016 18015 3966 1 14 . 1 1 5 5 ARG N N 2 123.855 123.855 122.870 0.985 18015 3967 1 14 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.722 -0.247 18015 3968 1 14 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.523 0.381 18015 3969 1 14 . 1 1 5 5 ARG H H 2 8.472 8.472 8.526 -0.054 18015 3970 1 14 . 1 1 6 6 ARG N N 3 125.147 125.147 121.141 4.006 18015 3971 1 14 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.518 -0.234 18015 3972 1 14 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.785 0.599 18015 3973 1 14 . 1 1 6 6 ARG H H 3 9.078 9.078 8.539 0.539 18015 3974 1 14 . 1 1 7 7 GLN N N 4 122.134 122.134 122.341 -0.207 18015 3975 1 14 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.266 0.035 18015 3976 1 14 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.029 -0.458 18015 3977 1 14 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.041 0.509 18015 3978 1 14 . 1 1 7 7 GLN H H 4 8.475 8.475 8.622 -0.147 18015 3979 1 14 . 1 1 8 8 ARG N N 5 124.132 124.132 121.014 3.118 18015 3980 1 14 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.217 0.068 18015 3981 1 14 . 1 1 8 8 ARG H H 5 8.631 8.631 8.255 0.376 18015 3982 1 14 . 1 1 9 9 THR N N 6 125.523 125.523 113.172 12.351 18015 3983 1 14 . 1 1 9 9 THR HA H 6 3.831 3.831 4.140 -0.309 18015 3984 1 14 . 1 1 9 9 THR CA C 6 64.978 64.978 61.958 3.020 18015 3985 1 14 . 1 1 9 9 THR CB C 6 69.109 69.109 69.449 -0.340 18015 3986 1 14 . 1 1 9 9 THR H H 6 8.036 8.036 7.972 0.064 18015 3987 1 14 . 1 1 10 10 HIS N N 7 125.571 125.571 121.846 3.725 18015 3988 1 14 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.703 0.058 18015 3989 1 14 . 1 1 10 10 HIS CB C 7 28.769 28.769 30.807 -2.038 18015 3990 1 14 . 1 1 10 10 HIS H H 7 8.690 8.690 8.385 0.305 18015 3991 1 14 . 1 1 11 11 PHE N N 8 126.330 126.330 124.325 2.005 18015 3992 1 14 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.745 0.088 18015 3993 1 14 . 1 1 11 11 PHE CB C 8 40.533 40.533 39.882 0.651 18015 3994 1 14 . 1 1 11 11 PHE H H 8 8.703 8.703 8.254 0.449 18015 3995 1 14 . 1 1 12 12 THR N N 9 113.642 113.642 113.338 0.304 18015 3996 1 14 . 1 1 12 12 THR HA H 9 4.542 4.542 4.593 -0.051 18015 3997 1 14 . 1 1 12 12 THR CA C 9 60.379 60.379 60.785 -0.405 18015 3998 1 14 . 1 1 12 12 THR H H 9 9.165 9.165 8.228 0.937 18015 3999 1 14 . 1 1 13 13 SER N N 10 116.602 116.602 118.006 -1.404 18015 4000 1 14 . 1 1 13 13 SER HA H 10 4.187 4.187 3.962 0.225 18015 4001 1 14 . 1 1 13 13 SER CA C 10 61.887 61.887 62.197 -0.310 18015 4002 1 14 . 1 1 13 13 SER CB C 10 62.286 62.286 62.547 -0.261 18015 4003 1 14 . 1 1 13 13 SER H H 10 9.188 9.188 9.067 0.121 18015 4004 1 14 . 1 1 14 14 GLN N N 11 120.969 120.969 120.348 0.621 18015 4005 1 14 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.136 -0.083 18015 4006 1 14 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.206 1.371 18015 4007 1 14 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.053 -0.140 18015 4008 1 14 . 1 1 14 14 GLN H H 11 8.415 8.415 8.507 -0.092 18015 4009 1 14 . 1 1 15 15 GLN N N 12 119.255 119.255 119.472 -0.217 18015 4010 1 14 . 1 1 15 15 GLN HA H 12 3.833 3.833 3.995 -0.162 18015 4011 1 14 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.779 0.657 18015 4012 1 14 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.999 -1.034 18015 4013 1 14 . 1 1 15 15 GLN H H 12 7.799 7.799 7.655 0.144 18015 4014 1 14 . 1 1 16 16 LEU N N 13 117.041 117.041 119.953 -2.912 18015 4015 1 14 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.656 -0.040 18015 4016 1 14 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.500 0.393 18015 4017 1 14 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.519 0.087 18015 4018 1 14 . 1 1 16 16 LEU H H 13 8.299 8.299 8.357 -0.058 18015 4019 1 14 . 1 1 17 17 GLN N N 14 118.025 118.025 117.969 0.056 18015 4020 1 14 . 1 1 17 17 GLN HA H 14 3.992 3.992 3.950 0.042 18015 4021 1 14 . 1 1 17 17 GLN CA C 14 59.157 59.157 59.015 0.142 18015 4022 1 14 . 1 1 17 17 GLN CB C 14 28.507 28.507 27.969 0.538 18015 4023 1 14 . 1 1 17 17 GLN H H 14 8.160 8.160 8.050 0.110 18015 4024 1 14 . 1 1 18 18 GLU N N 15 119.789 119.789 118.646 1.143 18015 4025 1 14 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.252 -0.071 18015 4026 1 14 . 1 1 18 18 GLU CA C 15 58.538 58.538 58.243 0.295 18015 4027 1 14 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.260 0.190 18015 4028 1 14 . 1 1 18 18 GLU H H 15 7.582 7.582 8.238 -0.656 18015 4029 1 14 . 1 1 19 19 LEU N N 16 123.483 123.483 119.915 3.568 18015 4030 1 14 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.876 -0.363 18015 4031 1 14 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.306 0.264 18015 4032 1 14 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.985 -3.119 18015 4033 1 14 . 1 1 19 19 LEU H H 16 8.313 8.313 7.226 1.087 18015 4034 1 14 . 1 1 20 20 GLU N N 17 119.146 119.146 119.261 -0.115 18015 4035 1 14 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.098 0.307 18015 4036 1 14 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.540 -0.610 18015 4037 1 14 . 1 1 20 20 GLU H H 17 8.257 8.257 8.477 -0.220 18015 4038 1 14 . 1 1 21 21 ALA N N 18 120.611 120.611 121.648 -1.037 18015 4039 1 14 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.169 0.011 18015 4040 1 14 . 1 1 21 21 ALA CA C 18 55.184 55.184 55.071 0.113 18015 4041 1 14 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.191 -0.177 18015 4042 1 14 . 1 1 21 21 ALA H H 18 7.954 7.954 7.760 0.194 18015 4043 1 14 . 1 1 22 22 THR N N 19 113.517 113.517 114.465 -0.948 18015 4044 1 14 . 1 1 22 22 THR HA H 19 4.103 4.103 4.267 -0.164 18015 4045 1 14 . 1 1 22 22 THR CA C 19 66.956 66.956 66.598 0.358 18015 4046 1 14 . 1 1 22 22 THR CB C 19 68.338 68.338 69.228 -0.890 18015 4047 1 14 . 1 1 22 22 THR H H 19 7.940 7.940 7.342 0.598 18015 4048 1 14 . 1 1 23 23 PHE N N 20 125.431 125.431 121.799 3.632 18015 4049 1 14 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.688 -0.315 18015 4050 1 14 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.827 0.915 18015 4051 1 14 . 1 1 23 23 PHE H H 20 8.839 8.839 8.344 0.495 18015 4052 1 14 . 1 1 24 24 GLN N N 21 112.304 112.304 115.822 -3.518 18015 4053 1 14 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.225 -0.419 18015 4054 1 14 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.686 -0.280 18015 4055 1 14 . 1 1 24 24 GLN CB C 21 28.151 28.151 29.064 -0.913 18015 4056 1 14 . 1 1 24 24 GLN H H 21 7.921 7.921 8.097 -0.176 18015 4057 1 14 . 1 1 25 25 ARG N N 22 116.707 116.707 115.132 1.575 18015 4058 1 14 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.528 -0.164 18015 4059 1 14 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.169 0.976 18015 4060 1 14 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.789 -1.224 18015 4061 1 14 . 1 1 25 25 ARG H H 22 7.408 7.408 8.132 -0.724 18015 4062 1 14 . 1 1 26 26 ASN N N 23 119.274 119.274 119.522 -0.248 18015 4063 1 14 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.805 -0.322 18015 4064 1 14 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.773 0.061 18015 4065 1 14 . 1 1 26 26 ASN CB C 23 38.563 38.563 39.784 -1.221 18015 4066 1 14 . 1 1 26 26 ASN H H 23 8.251 8.251 8.385 -0.134 18015 4067 1 14 . 1 1 27 27 ARG N N 24 121.408 121.408 123.638 -2.230 18015 4068 1 14 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.031 -0.231 18015 4069 1 14 . 1 1 27 27 ARG CA C 24 57.646 57.646 56.676 0.970 18015 4070 1 14 . 1 1 27 27 ARG CB C 24 31.003 31.003 29.360 1.643 18015 4071 1 14 . 1 1 27 27 ARG H H 24 8.400 8.400 8.446 -0.046 18015 4072 1 14 . 1 1 28 28 TYR N N 25 113.992 113.992 117.890 -3.898 18015 4073 1 14 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.806 -0.147 18015 4074 1 14 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.169 0.522 18015 4075 1 14 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.518 1.617 18015 4076 1 14 . 1 1 28 28 TYR H H 25 7.734 7.734 8.061 -0.327 18015 4077 1 14 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.290 0.121 18015 4078 1 14 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.709 -0.044 18015 4079 1 14 . 1 1 29 29 PRO CB C 26 31.053 31.053 31.755 -0.702 18015 4080 1 14 . 1 1 30 30 ASP N N 27 124.189 124.189 124.588 -0.399 18015 4081 1 14 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.474 0.020 18015 4082 1 14 . 1 1 30 30 ASP CA C 27 52.530 52.530 54.364 -1.834 18015 4083 1 14 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.975 -2.402 18015 4084 1 14 . 1 1 30 30 ASP H H 27 8.467 8.467 8.451 0.016 18015 4085 1 14 . 1 1 31 31 MET N N 28 119.367 119.367 122.698 -3.331 18015 4086 1 14 . 1 1 31 31 MET HA H 28 3.861 3.861 3.972 -0.111 18015 4087 1 14 . 1 1 31 31 MET CA C 28 60.361 60.361 58.502 1.859 18015 4088 1 14 . 1 1 31 31 MET CB C 28 32.022 32.022 32.480 -0.458 18015 4089 1 14 . 1 1 31 31 MET H H 28 8.687 8.687 8.594 0.093 18015 4090 1 14 . 1 1 32 32 SER N N 29 113.279 113.279 115.385 -2.106 18015 4091 1 14 . 1 1 32 32 SER HA H 29 4.245 4.245 4.406 -0.161 18015 4092 1 14 . 1 1 32 32 SER CA C 29 61.815 61.815 61.131 0.684 18015 4093 1 14 . 1 1 32 32 SER CB C 29 62.447 62.447 63.137 -0.690 18015 4094 1 14 . 1 1 32 32 SER H H 29 8.387 8.387 8.348 0.039 18015 4095 1 14 . 1 1 33 33 THR N N 30 120.829 120.829 119.261 1.568 18015 4096 1 14 . 1 1 33 33 THR HA H 30 4.004 4.004 4.071 -0.066 18015 4097 1 14 . 1 1 33 33 THR CA C 30 66.957 66.957 66.236 0.722 18015 4098 1 14 . 1 1 33 33 THR CB C 30 67.626 67.626 68.607 -0.981 18015 4099 1 14 . 1 1 33 33 THR H H 30 8.406 8.406 7.651 0.755 18015 4100 1 14 . 1 1 34 34 ARG N N 31 120.944 120.944 121.602 -0.658 18015 4101 1 14 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.901 -0.031 18015 4102 1 14 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.397 1.761 18015 4103 1 14 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.384 2.071 18015 4104 1 14 . 1 1 34 34 ARG H H 31 8.955 8.955 8.493 0.462 18015 4105 1 14 . 1 1 35 35 GLU N N 32 118.711 118.711 118.344 0.367 18015 4106 1 14 . 1 1 35 35 GLU HA H 32 3.993 3.993 3.980 0.013 18015 4107 1 14 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.230 0.602 18015 4108 1 14 . 1 1 35 35 GLU CB C 32 29.233 29.233 29.066 0.167 18015 4109 1 14 . 1 1 35 35 GLU H H 32 8.608 8.608 8.320 0.288 18015 4110 1 14 . 1 1 36 36 GLU N N 33 121.133 121.133 120.244 0.889 18015 4111 1 14 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.608 0.389 18015 4112 1 14 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.642 1.050 18015 4113 1 14 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.149 0.203 18015 4114 1 14 . 1 1 36 36 GLU H H 33 7.639 7.639 7.514 0.125 18015 4115 1 14 . 1 1 37 37 ILE N N 34 119.761 119.761 119.651 0.110 18015 4116 1 14 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.628 0.003 18015 4117 1 14 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.340 -0.612 18015 4118 1 14 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.698 0.833 18015 4119 1 14 . 1 1 37 37 ILE H H 34 8.415 8.415 7.613 0.802 18015 4120 1 14 . 1 1 38 38 ALA N N 35 124.272 124.272 123.006 1.266 18015 4121 1 14 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.173 -0.492 18015 4122 1 14 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.813 0.896 18015 4123 1 14 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.329 -1.378 18015 4124 1 14 . 1 1 38 38 ALA H H 35 8.551 8.551 7.652 0.899 18015 4125 1 14 . 1 1 39 39 VAL N N 36 118.330 118.330 118.710 -0.380 18015 4126 1 14 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.644 0.174 18015 4127 1 14 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.290 0.194 18015 4128 1 14 . 1 1 39 39 VAL CB C 36 31.585 31.585 30.810 0.775 18015 4129 1 14 . 1 1 39 39 VAL H H 36 7.791 7.791 7.286 0.505 18015 4130 1 14 . 1 1 40 40 TRP N N 37 120.237 120.237 121.480 -1.243 18015 4131 1 14 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.353 0.278 18015 4132 1 14 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.955 0.145 18015 4133 1 14 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.482 0.333 18015 4134 1 14 . 1 1 40 40 TRP H H 37 8.109 8.109 7.824 0.285 18015 4135 1 14 . 1 1 41 41 THR N N 38 104.809 104.809 107.280 -2.471 18015 4136 1 14 . 1 1 41 41 THR HA H 38 4.374 4.374 4.329 0.045 18015 4137 1 14 . 1 1 41 41 THR CA C 38 61.723 61.723 61.709 0.014 18015 4138 1 14 . 1 1 41 41 THR CB C 38 71.088 71.088 70.109 0.979 18015 4139 1 14 . 1 1 41 41 THR H H 38 8.011 8.011 7.836 0.175 18015 4140 1 14 . 1 1 42 42 ASN N N 39 118.978 118.978 118.548 0.430 18015 4141 1 14 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.352 0.182 18015 4142 1 14 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.191 0.716 18015 4143 1 14 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.909 -0.624 18015 4144 1 14 . 1 1 42 42 ASN H H 39 7.925 7.925 7.855 0.070 18015 4145 1 14 . 1 1 43 43 LEU N N 40 120.124 120.124 119.200 0.924 18015 4146 1 14 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.826 0.219 18015 4147 1 14 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.007 -0.939 18015 4148 1 14 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.917 3.194 18015 4149 1 14 . 1 1 43 43 LEU H H 40 8.635 8.635 8.289 0.346 18015 4150 1 14 . 1 1 44 44 THR N N 41 106.690 106.690 108.310 -1.620 18015 4151 1 14 . 1 1 44 44 THR HA H 41 4.715 4.715 4.560 0.155 18015 4152 1 14 . 1 1 44 44 THR CA C 41 59.511 59.511 59.344 0.167 18015 4153 1 14 . 1 1 44 44 THR CB C 41 71.419 71.419 71.862 -0.443 18015 4154 1 14 . 1 1 44 44 THR H H 41 7.081 7.081 7.802 -0.721 18015 4155 1 14 . 1 1 45 45 GLU N N 42 124.087 124.087 124.417 -0.330 18015 4156 1 14 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.860 -0.230 18015 4157 1 14 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.787 0.746 18015 4158 1 14 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.575 -1.159 18015 4159 1 14 . 1 1 45 45 GLU H H 42 9.452 9.452 8.992 0.460 18015 4160 1 14 . 1 1 46 46 ALA N N 43 119.687 119.687 120.635 -0.948 18015 4161 1 14 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.195 -0.185 18015 4162 1 14 . 1 1 46 46 ALA CA C 43 55.619 55.619 55.009 0.610 18015 4163 1 14 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.161 0.438 18015 4164 1 14 . 1 1 46 46 ALA H H 43 8.467 8.467 8.512 -0.045 18015 4165 1 14 . 1 1 47 47 ARG N N 44 116.856 116.856 118.487 -1.631 18015 4166 1 14 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.219 0.094 18015 4167 1 14 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.266 0.768 18015 4168 1 14 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.676 1.809 18015 4169 1 14 . 1 1 47 47 ARG H H 44 7.657 7.657 7.894 -0.237 18015 4170 1 14 . 1 1 48 48 VAL N N 45 120.046 120.046 120.740 -0.694 18015 4171 1 14 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.807 -0.043 18015 4172 1 14 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.734 0.574 18015 4173 1 14 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.441 1.094 18015 4174 1 14 . 1 1 48 48 VAL H H 45 8.008 8.008 8.345 -0.337 18015 4175 1 14 . 1 1 49 49 ARG N N 46 121.544 121.544 120.583 0.961 18015 4176 1 14 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.040 -0.106 18015 4177 1 14 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.207 0.401 18015 4178 1 14 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.199 0.370 18015 4179 1 14 . 1 1 49 49 ARG H H 46 9.432 9.432 7.944 1.488 18015 4180 1 14 . 1 1 50 50 VAL N N 47 120.747 120.747 119.196 1.551 18015 4181 1 14 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.674 -0.032 18015 4182 1 14 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.554 0.533 18015 4183 1 14 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.577 0.890 18015 4184 1 14 . 1 1 50 50 VAL H H 47 8.103 8.103 8.348 -0.245 18015 4185 1 14 . 1 1 51 51 TRP N N 48 122.857 122.857 121.605 1.252 18015 4186 1 14 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.071 0.812 18015 4187 1 14 . 1 1 51 51 TRP H H 48 8.430 8.430 7.759 0.671 18015 4188 1 14 . 1 1 52 52 PHE N N 49 118.314 118.314 118.596 -0.282 18015 4189 1 14 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.013 -0.298 18015 4190 1 14 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.742 0.866 18015 4191 1 14 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.347 0.109 18015 4192 1 14 . 1 1 52 52 PHE H H 49 9.045 9.045 8.585 0.460 18015 4193 1 14 . 1 1 53 53 LYS N N 50 121.307 121.307 119.106 2.201 18015 4194 1 14 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.939 0.003 18015 4195 1 14 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.078 0.589 18015 4196 1 14 . 1 1 53 53 LYS CB C 50 33.213 33.213 32.093 1.120 18015 4197 1 14 . 1 1 53 53 LYS H H 50 7.915 7.915 8.692 -0.777 18015 4198 1 14 . 1 1 54 54 ASN N N 51 119.377 119.377 119.572 -0.195 18015 4199 1 14 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.411 0.095 18015 4200 1 14 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.855 0.312 18015 4201 1 14 . 1 1 54 54 ASN CB C 51 38.233 38.233 37.863 0.370 18015 4202 1 14 . 1 1 54 54 ASN H H 51 8.669 8.669 8.096 0.573 18015 4203 1 14 . 1 1 55 55 ARG N N 52 125.530 125.530 119.829 5.701 18015 4204 1 14 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.574 0.108 18015 4205 1 14 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.995 -1.420 18015 4206 1 14 . 1 1 55 55 ARG H H 52 8.851 8.851 7.932 0.919 18015 4207 1 14 . 1 1 56 56 ARG N N 53 120.194 120.194 117.918 2.276 18015 4208 1 14 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.278 0.021 18015 4209 1 14 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.932 2.331 18015 4210 1 14 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.655 0.824 18015 4211 1 14 . 1 1 56 56 ARG H H 53 8.620 8.620 7.617 1.003 18015 4212 1 14 . 1 1 57 57 ALA N N 54 121.998 121.998 122.791 -0.793 18015 4213 1 14 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.176 0.164 18015 4214 1 14 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.863 0.772 18015 4215 1 14 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.023 -0.534 18015 4216 1 14 . 1 1 57 57 ALA H H 54 7.386 7.386 8.569 -1.183 18015 4217 1 14 . 1 1 58 58 LYS N N 55 120.111 120.111 118.816 1.295 18015 4218 1 14 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.945 0.121 18015 4219 1 14 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.225 1.399 18015 4220 1 14 . 1 1 58 58 LYS H H 55 7.716 7.716 7.805 -0.089 18015 4221 1 14 . 1 1 59 59 TRP N N 56 121.249 121.249 121.425 -0.176 18015 4222 1 14 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.362 0.209 18015 4223 1 14 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.759 -0.336 18015 4224 1 14 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.151 0.500 18015 4225 1 14 . 1 1 59 59 TRP H H 56 8.362 8.362 8.183 0.179 18015 4226 1 14 . 1 1 60 60 ARG N N 57 117.543 117.543 118.096 -0.553 18015 4227 1 14 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.564 0.314 18015 4228 1 14 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.218 1.489 18015 4229 1 14 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.104 2.188 18015 4230 1 14 . 1 1 60 60 ARG H H 57 8.464 8.464 7.607 0.857 18015 4231 1 14 . 1 1 61 61 LYS N N 58 118.252 118.252 117.388 0.864 18015 4232 1 14 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.153 0.055 18015 4233 1 14 . 1 1 61 61 LYS CA C 58 58.299 58.299 57.769 0.530 18015 4234 1 14 . 1 1 61 61 LYS CB C 58 33.132 33.132 31.557 1.575 18015 4235 1 14 . 1 1 61 61 LYS H H 58 7.770 7.770 8.066 -0.296 18015 4236 1 14 . 1 1 62 62 ARG N N 59 116.854 116.854 118.058 -1.204 18015 4237 1 14 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.373 0.030 18015 4238 1 14 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.442 -1.225 18015 4239 1 14 . 1 1 62 62 ARG CB C 59 31.201 31.201 32.190 -0.989 18015 4240 1 14 . 1 1 62 62 ARG H H 59 7.978 7.978 7.478 0.500 18015 4241 1 14 . 1 1 63 63 GLU N N 60 119.450 119.450 116.508 2.942 18015 4242 1 14 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.468 -0.485 18015 4243 1 14 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.478 0.445 18015 4244 1 14 . 1 1 63 63 GLU CB C 60 30.001 30.001 31.564 -1.563 18015 4245 1 14 . 1 1 63 63 GLU H H 60 8.078 8.078 8.277 -0.199 18015 4246 1 14 . 1 1 64 64 GLU N N 61 120.134 120.134 117.913 2.221 18015 4247 1 14 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.688 0.086 18015 4248 1 14 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.891 -1.441 18015 4249 1 14 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.946 0.951 18015 4250 1 14 . 1 1 64 64 GLU H H 61 7.889 7.889 7.938 -0.049 18015 4251 1 14 . 1 1 65 65 PHE N N 62 118.794 118.794 115.161 3.633 18015 4252 1 14 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.651 -0.073 18015 4253 1 14 . 1 1 65 65 PHE CA C 62 56.961 56.961 58.727 -1.766 18015 4254 1 14 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.129 -1.832 18015 4255 1 14 . 1 1 65 65 PHE H H 62 7.731 7.731 7.842 -0.111 18015 4256 1 14 . 1 1 66 66 ILE N N 63 123.529 123.529 122.866 0.663 18015 4257 1 14 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.899 0.231 18015 4258 1 14 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.293 -0.359 18015 4259 1 14 . 1 1 66 66 ILE CB C 63 38.543 38.543 37.390 1.153 18015 4260 1 14 . 1 1 66 66 ILE H H 63 7.802 7.802 7.631 0.171 18015 4261 1 14 . 1 1 67 67 VAL N N 64 125.799 125.799 127.272 -1.473 18015 4262 1 14 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.358 -0.161 18015 4263 1 14 . 1 1 67 67 VAL CA C 64 62.225 62.225 61.639 0.586 18015 4264 1 14 . 1 1 67 67 VAL CB C 64 32.811 32.811 33.627 -0.816 18015 4265 1 14 . 1 1 67 67 VAL H H 64 8.292 8.292 8.296 -0.004 18015 4266 1 14 . 1 1 68 68 THR N N 65 118.825 118.825 115.867 2.958 18015 4267 1 14 . 1 1 68 68 THR HA H 65 4.440 4.440 4.466 -0.026 18015 4268 1 14 . 1 1 68 68 THR CA C 65 61.236 61.236 61.704 -0.468 18015 4269 1 14 . 1 1 68 68 THR CB C 65 70.114 70.114 69.302 0.812 18015 4270 1 14 . 1 1 68 68 THR H H 65 8.353 8.353 8.115 0.238 18015 4271 1 15 . 1 1 5 5 ARG N N 2 123.855 123.855 122.472 1.383 18015 4272 1 15 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.378 0.097 18015 4273 1 15 . 1 1 5 5 ARG CA C 2 55.904 55.904 56.401 -0.497 18015 4274 1 15 . 1 1 5 5 ARG H H 2 8.472 8.472 8.624 -0.152 18015 4275 1 15 . 1 1 6 6 ARG N N 3 125.147 125.147 121.632 3.515 18015 4276 1 15 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.651 -0.367 18015 4277 1 15 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.372 1.013 18015 4278 1 15 . 1 1 6 6 ARG H H 3 9.078 9.078 8.560 0.518 18015 4279 1 15 . 1 1 7 7 GLN N N 4 122.134 122.134 119.673 2.461 18015 4280 1 15 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.650 -0.349 18015 4281 1 15 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.048 0.523 18015 4282 1 15 . 1 1 7 7 GLN CB C 4 29.550 29.550 30.833 -1.283 18015 4283 1 15 . 1 1 7 7 GLN H H 4 8.475 8.475 8.477 -0.002 18015 4284 1 15 . 1 1 8 8 ARG N N 5 124.132 124.132 121.441 2.691 18015 4285 1 15 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.717 -0.432 18015 4286 1 15 . 1 1 8 8 ARG H H 5 8.631 8.631 8.652 -0.021 18015 4287 1 15 . 1 1 9 9 THR N N 6 125.523 125.523 116.996 8.527 18015 4288 1 15 . 1 1 9 9 THR HA H 6 3.831 3.831 4.262 -0.431 18015 4289 1 15 . 1 1 9 9 THR CA C 6 64.978 64.978 61.597 3.381 18015 4290 1 15 . 1 1 9 9 THR CB C 6 69.109 69.109 69.434 -0.325 18015 4291 1 15 . 1 1 9 9 THR H H 6 8.036 8.036 8.303 -0.267 18015 4292 1 15 . 1 1 10 10 HIS N N 7 125.571 125.571 122.617 2.954 18015 4293 1 15 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.809 -0.048 18015 4294 1 15 . 1 1 10 10 HIS CB C 7 28.769 28.769 31.113 -2.344 18015 4295 1 15 . 1 1 10 10 HIS H H 7 8.690 8.690 8.328 0.362 18015 4296 1 15 . 1 1 11 11 PHE N N 8 126.330 126.330 122.301 4.029 18015 4297 1 15 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.816 0.018 18015 4298 1 15 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.502 -0.969 18015 4299 1 15 . 1 1 11 11 PHE H H 8 8.703 8.703 8.054 0.649 18015 4300 1 15 . 1 1 12 12 THR N N 9 113.642 113.642 113.681 -0.039 18015 4301 1 15 . 1 1 12 12 THR HA H 9 4.542 4.542 4.787 -0.245 18015 4302 1 15 . 1 1 12 12 THR CA C 9 60.379 60.379 60.553 -0.174 18015 4303 1 15 . 1 1 12 12 THR H H 9 9.165 9.165 9.176 -0.011 18015 4304 1 15 . 1 1 13 13 SER N N 10 116.602 116.602 118.855 -2.253 18015 4305 1 15 . 1 1 13 13 SER HA H 10 4.187 4.187 3.965 0.222 18015 4306 1 15 . 1 1 13 13 SER CA C 10 61.887 61.887 62.408 -0.521 18015 4307 1 15 . 1 1 13 13 SER CB C 10 62.286 62.286 62.832 -0.546 18015 4308 1 15 . 1 1 13 13 SER H H 10 9.188 9.188 8.918 0.270 18015 4309 1 15 . 1 1 14 14 GLN N N 11 120.969 120.969 120.263 0.706 18015 4310 1 15 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.149 -0.096 18015 4311 1 15 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.150 1.428 18015 4312 1 15 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.284 -0.370 18015 4313 1 15 . 1 1 14 14 GLN H H 11 8.415 8.415 8.512 -0.097 18015 4314 1 15 . 1 1 15 15 GLN N N 12 119.255 119.255 118.085 1.170 18015 4315 1 15 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.089 -0.256 18015 4316 1 15 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.522 0.914 18015 4317 1 15 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.396 -1.431 18015 4318 1 15 . 1 1 15 15 GLN H H 12 7.799 7.799 7.779 0.020 18015 4319 1 15 . 1 1 16 16 LEU N N 13 117.041 117.041 121.397 -4.356 18015 4320 1 15 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.542 0.074 18015 4321 1 15 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.647 0.246 18015 4322 1 15 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.347 0.259 18015 4323 1 15 . 1 1 16 16 LEU H H 13 8.299 8.299 8.323 -0.024 18015 4324 1 15 . 1 1 17 17 GLN N N 14 118.025 118.025 116.768 1.257 18015 4325 1 15 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.207 -0.215 18015 4326 1 15 . 1 1 17 17 GLN CA C 14 59.157 59.157 57.935 1.222 18015 4327 1 15 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.164 0.343 18015 4328 1 15 . 1 1 17 17 GLN H H 14 8.160 8.160 7.945 0.215 18015 4329 1 15 . 1 1 18 18 GLU N N 15 119.789 119.789 118.360 1.429 18015 4330 1 15 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.386 -0.205 18015 4331 1 15 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.389 1.149 18015 4332 1 15 . 1 1 18 18 GLU CB C 15 29.450 29.450 30.632 -1.182 18015 4333 1 15 . 1 1 18 18 GLU H H 15 7.582 7.582 7.984 -0.402 18015 4334 1 15 . 1 1 19 19 LEU N N 16 123.483 123.483 120.982 2.501 18015 4335 1 15 . 1 1 19 19 LEU HA H 16 3.513 3.513 4.095 -0.582 18015 4336 1 15 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.458 0.112 18015 4337 1 15 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.214 -3.348 18015 4338 1 15 . 1 1 19 19 LEU H H 16 8.313 8.313 7.289 1.024 18015 4339 1 15 . 1 1 20 20 GLU N N 17 119.146 119.146 120.129 -0.983 18015 4340 1 15 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.188 0.217 18015 4341 1 15 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.718 -0.787 18015 4342 1 15 . 1 1 20 20 GLU H H 17 8.257 8.257 8.634 -0.377 18015 4343 1 15 . 1 1 21 21 ALA N N 18 120.611 120.611 121.216 -0.605 18015 4344 1 15 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.288 -0.108 18015 4345 1 15 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.479 0.705 18015 4346 1 15 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.199 -0.185 18015 4347 1 15 . 1 1 21 21 ALA H H 18 7.954 7.954 8.673 -0.719 18015 4348 1 15 . 1 1 22 22 THR N N 19 113.517 113.517 115.137 -1.620 18015 4349 1 15 . 1 1 22 22 THR HA H 19 4.103 4.103 4.236 -0.133 18015 4350 1 15 . 1 1 22 22 THR CA C 19 66.956 66.956 66.286 0.670 18015 4351 1 15 . 1 1 22 22 THR CB C 19 68.338 68.338 69.790 -1.452 18015 4352 1 15 . 1 1 22 22 THR H H 19 7.940 7.940 7.404 0.536 18015 4353 1 15 . 1 1 23 23 PHE N N 20 125.431 125.431 122.388 3.043 18015 4354 1 15 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.876 -0.503 18015 4355 1 15 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.248 1.494 18015 4356 1 15 . 1 1 23 23 PHE H H 20 8.839 8.839 8.764 0.075 18015 4357 1 15 . 1 1 24 24 GLN N N 21 112.304 112.304 117.306 -5.002 18015 4358 1 15 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.136 -0.330 18015 4359 1 15 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.400 0.006 18015 4360 1 15 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.584 -0.433 18015 4361 1 15 . 1 1 24 24 GLN H H 21 7.921 7.921 8.265 -0.344 18015 4362 1 15 . 1 1 25 25 ARG N N 22 116.707 116.707 116.612 0.095 18015 4363 1 15 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.518 -0.154 18015 4364 1 15 . 1 1 25 25 ARG CA C 22 57.145 57.145 55.981 1.164 18015 4365 1 15 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.031 -0.466 18015 4366 1 15 . 1 1 25 25 ARG H H 22 7.408 7.408 8.016 -0.608 18015 4367 1 15 . 1 1 26 26 ASN N N 23 119.274 119.274 119.394 -0.120 18015 4368 1 15 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.948 -0.465 18015 4369 1 15 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.661 0.173 18015 4370 1 15 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.294 -1.731 18015 4371 1 15 . 1 1 26 26 ASN H H 23 8.251 8.251 8.444 -0.193 18015 4372 1 15 . 1 1 27 27 ARG N N 24 121.408 121.408 125.232 -3.824 18015 4373 1 15 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.391 -0.591 18015 4374 1 15 . 1 1 27 27 ARG CA C 24 57.646 57.646 58.259 -0.613 18015 4375 1 15 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.192 0.811 18015 4376 1 15 . 1 1 27 27 ARG H H 24 8.400 8.400 8.792 -0.392 18015 4377 1 15 . 1 1 28 28 TYR N N 25 113.992 113.992 118.537 -4.545 18015 4378 1 15 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.802 -0.144 18015 4379 1 15 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.862 0.829 18015 4380 1 15 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.954 1.181 18015 4381 1 15 . 1 1 28 28 TYR H H 25 7.734 7.734 8.279 -0.545 18015 4382 1 15 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.423 -0.012 18015 4383 1 15 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.567 0.098 18015 4384 1 15 . 1 1 29 29 PRO CB C 26 31.053 31.053 31.752 -0.699 18015 4385 1 15 . 1 1 30 30 ASP N N 27 124.189 124.189 124.568 -0.379 18015 4386 1 15 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.524 -0.030 18015 4387 1 15 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.745 -1.215 18015 4388 1 15 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.590 -2.017 18015 4389 1 15 . 1 1 30 30 ASP H H 27 8.467 8.467 8.135 0.332 18015 4390 1 15 . 1 1 31 31 MET N N 28 119.367 119.367 116.231 3.136 18015 4391 1 15 . 1 1 31 31 MET HA H 28 3.861 3.861 4.040 -0.179 18015 4392 1 15 . 1 1 31 31 MET CA C 28 60.361 60.361 58.558 1.803 18015 4393 1 15 . 1 1 31 31 MET CB C 28 32.022 32.022 32.300 -0.278 18015 4394 1 15 . 1 1 31 31 MET H H 28 8.687 8.687 8.447 0.240 18015 4395 1 15 . 1 1 32 32 SER N N 29 113.279 113.279 115.610 -2.331 18015 4396 1 15 . 1 1 32 32 SER HA H 29 4.245 4.245 4.282 -0.037 18015 4397 1 15 . 1 1 32 32 SER CA C 29 61.815 61.815 60.478 1.337 18015 4398 1 15 . 1 1 32 32 SER CB C 29 62.447 62.447 63.160 -0.713 18015 4399 1 15 . 1 1 32 32 SER H H 29 8.387 8.387 8.428 -0.041 18015 4400 1 15 . 1 1 33 33 THR N N 30 120.829 120.829 119.542 1.287 18015 4401 1 15 . 1 1 33 33 THR HA H 30 4.004 4.004 4.014 -0.010 18015 4402 1 15 . 1 1 33 33 THR CA C 30 66.957 66.957 67.130 -0.173 18015 4403 1 15 . 1 1 33 33 THR CB C 30 67.626 67.626 68.499 -0.873 18015 4404 1 15 . 1 1 33 33 THR H H 30 8.406 8.406 8.611 -0.205 18015 4405 1 15 . 1 1 34 34 ARG N N 31 120.944 120.944 119.986 0.958 18015 4406 1 15 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.899 -0.029 18015 4407 1 15 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.730 1.428 18015 4408 1 15 . 1 1 34 34 ARG CB C 31 32.455 32.455 29.984 2.471 18015 4409 1 15 . 1 1 34 34 ARG H H 31 8.955 8.955 8.663 0.292 18015 4410 1 15 . 1 1 35 35 GLU N N 32 118.711 118.711 119.803 -1.092 18015 4411 1 15 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.004 -0.011 18015 4412 1 15 . 1 1 35 35 GLU CA C 32 59.831 59.831 58.988 0.843 18015 4413 1 15 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.945 0.287 18015 4414 1 15 . 1 1 35 35 GLU H H 32 8.608 8.608 8.112 0.496 18015 4415 1 15 . 1 1 36 36 GLU N N 33 121.133 121.133 120.354 0.779 18015 4416 1 15 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.554 0.443 18015 4417 1 15 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.742 0.950 18015 4418 1 15 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.450 -0.098 18015 4419 1 15 . 1 1 36 36 GLU H H 33 7.639 7.639 7.953 -0.314 18015 4420 1 15 . 1 1 37 37 ILE N N 34 119.761 119.761 120.150 -0.389 18015 4421 1 15 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.620 0.011 18015 4422 1 15 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.336 -0.608 18015 4423 1 15 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.824 0.707 18015 4424 1 15 . 1 1 37 37 ILE H H 34 8.415 8.415 8.062 0.353 18015 4425 1 15 . 1 1 38 38 ALA N N 35 124.272 124.272 121.115 3.157 18015 4426 1 15 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.113 -0.432 18015 4427 1 15 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.526 1.183 18015 4428 1 15 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.414 -1.463 18015 4429 1 15 . 1 1 38 38 ALA H H 35 8.551 8.551 8.031 0.520 18015 4430 1 15 . 1 1 39 39 VAL N N 36 118.330 118.330 118.687 -0.357 18015 4431 1 15 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.696 0.122 18015 4432 1 15 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.634 -0.150 18015 4433 1 15 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.416 0.169 18015 4434 1 15 . 1 1 39 39 VAL H H 36 7.791 7.791 7.135 0.656 18015 4435 1 15 . 1 1 40 40 TRP N N 37 120.237 120.237 119.292 0.945 18015 4436 1 15 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.453 0.178 18015 4437 1 15 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.846 0.254 18015 4438 1 15 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.347 0.468 18015 4439 1 15 . 1 1 40 40 TRP H H 37 8.109 8.109 7.297 0.812 18015 4440 1 15 . 1 1 41 41 THR N N 38 104.809 104.809 106.025 -1.216 18015 4441 1 15 . 1 1 41 41 THR HA H 38 4.374 4.374 4.537 -0.163 18015 4442 1 15 . 1 1 41 41 THR CA C 38 61.723 61.723 60.542 1.181 18015 4443 1 15 . 1 1 41 41 THR CB C 38 71.088 71.088 70.672 0.416 18015 4444 1 15 . 1 1 41 41 THR H H 38 8.011 8.011 7.904 0.107 18015 4445 1 15 . 1 1 42 42 ASN N N 39 118.978 118.978 119.159 -0.181 18015 4446 1 15 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.433 0.101 18015 4447 1 15 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.309 0.598 18015 4448 1 15 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.534 -0.249 18015 4449 1 15 . 1 1 42 42 ASN H H 39 7.925 7.925 7.834 0.091 18015 4450 1 15 . 1 1 43 43 LEU N N 40 120.124 120.124 118.400 1.724 18015 4451 1 15 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.559 0.486 18015 4452 1 15 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.355 -1.287 18015 4453 1 15 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.689 3.422 18015 4454 1 15 . 1 1 43 43 LEU H H 40 8.635 8.635 7.645 0.990 18015 4455 1 15 . 1 1 44 44 THR N N 41 106.690 106.690 108.375 -1.685 18015 4456 1 15 . 1 1 44 44 THR HA H 41 4.715 4.715 4.573 0.142 18015 4457 1 15 . 1 1 44 44 THR CA C 41 59.511 59.511 59.184 0.327 18015 4458 1 15 . 1 1 44 44 THR CB C 41 71.419 71.419 70.792 0.627 18015 4459 1 15 . 1 1 44 44 THR H H 41 7.081 7.081 7.922 -0.841 18015 4460 1 15 . 1 1 45 45 GLU N N 42 124.087 124.087 122.244 1.843 18015 4461 1 15 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.937 -0.307 18015 4462 1 15 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.333 1.200 18015 4463 1 15 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.332 -0.916 18015 4464 1 15 . 1 1 45 45 GLU H H 42 9.452 9.452 8.979 0.473 18015 4465 1 15 . 1 1 46 46 ALA N N 43 119.687 119.687 121.558 -1.871 18015 4466 1 15 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.115 -0.105 18015 4467 1 15 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.884 0.735 18015 4468 1 15 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.303 0.296 18015 4469 1 15 . 1 1 46 46 ALA H H 43 8.467 8.467 7.780 0.687 18015 4470 1 15 . 1 1 47 47 ARG N N 44 116.856 116.856 118.395 -1.539 18015 4471 1 15 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.196 0.117 18015 4472 1 15 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.659 1.375 18015 4473 1 15 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.571 1.914 18015 4474 1 15 . 1 1 47 47 ARG H H 44 7.657 7.657 7.576 0.081 18015 4475 1 15 . 1 1 48 48 VAL N N 45 120.046 120.046 120.972 -0.926 18015 4476 1 15 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.777 -0.013 18015 4477 1 15 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.894 0.414 18015 4478 1 15 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.267 1.268 18015 4479 1 15 . 1 1 48 48 VAL H H 45 8.008 8.008 8.250 -0.242 18015 4480 1 15 . 1 1 49 49 ARG N N 46 121.544 121.544 118.636 2.908 18015 4481 1 15 . 1 1 49 49 ARG HA H 46 3.934 3.934 3.938 -0.004 18015 4482 1 15 . 1 1 49 49 ARG CA C 46 60.608 60.608 59.637 0.971 18015 4483 1 15 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.183 0.386 18015 4484 1 15 . 1 1 49 49 ARG H H 46 9.432 9.432 8.244 1.188 18015 4485 1 15 . 1 1 50 50 VAL N N 47 120.747 120.747 119.276 1.471 18015 4486 1 15 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.889 -0.247 18015 4487 1 15 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.067 1.020 18015 4488 1 15 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.570 0.897 18015 4489 1 15 . 1 1 50 50 VAL H H 47 8.103 8.103 7.432 0.671 18015 4490 1 15 . 1 1 51 51 TRP N N 48 122.857 122.857 122.716 0.141 18015 4491 1 15 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.100 0.783 18015 4492 1 15 . 1 1 51 51 TRP H H 48 8.430 8.430 7.986 0.444 18015 4493 1 15 . 1 1 52 52 PHE N N 49 118.314 118.314 118.095 0.219 18015 4494 1 15 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.656 0.059 18015 4495 1 15 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.363 1.245 18015 4496 1 15 . 1 1 52 52 PHE CB C 49 39.456 39.456 38.953 0.503 18015 4497 1 15 . 1 1 52 52 PHE H H 49 9.045 9.045 8.454 0.591 18015 4498 1 15 . 1 1 53 53 LYS N N 50 121.307 121.307 118.828 2.479 18015 4499 1 15 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.891 0.051 18015 4500 1 15 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.393 1.274 18015 4501 1 15 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.748 1.465 18015 4502 1 15 . 1 1 53 53 LYS H H 50 7.915 7.915 7.767 0.148 18015 4503 1 15 . 1 1 54 54 ASN N N 51 119.377 119.377 119.119 0.258 18015 4504 1 15 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.469 0.037 18015 4505 1 15 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.832 0.336 18015 4506 1 15 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.077 0.156 18015 4507 1 15 . 1 1 54 54 ASN H H 51 8.669 8.669 7.891 0.778 18015 4508 1 15 . 1 1 55 55 ARG N N 52 125.530 125.530 121.266 4.264 18015 4509 1 15 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.743 -0.061 18015 4510 1 15 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.799 -1.224 18015 4511 1 15 . 1 1 55 55 ARG H H 52 8.851 8.851 7.375 1.476 18015 4512 1 15 . 1 1 56 56 ARG N N 53 120.194 120.194 119.485 0.709 18015 4513 1 15 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.109 0.190 18015 4514 1 15 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.594 2.669 18015 4515 1 15 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.444 2.035 18015 4516 1 15 . 1 1 56 56 ARG H H 53 8.620 8.620 8.132 0.488 18015 4517 1 15 . 1 1 57 57 ALA N N 54 121.998 121.998 122.078 -0.080 18015 4518 1 15 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.059 0.281 18015 4519 1 15 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.264 0.371 18015 4520 1 15 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.013 -0.523 18015 4521 1 15 . 1 1 57 57 ALA H H 54 7.386 7.386 8.084 -0.698 18015 4522 1 15 . 1 1 58 58 LYS N N 55 120.111 120.111 118.643 1.468 18015 4523 1 15 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.010 0.056 18015 4524 1 15 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.978 0.646 18015 4525 1 15 . 1 1 58 58 LYS H H 55 7.716 7.716 7.942 -0.226 18015 4526 1 15 . 1 1 59 59 TRP N N 56 121.249 121.249 121.372 -0.123 18015 4527 1 15 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.305 0.266 18015 4528 1 15 . 1 1 59 59 TRP CA C 56 60.423 60.423 61.012 -0.589 18015 4529 1 15 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.549 0.102 18015 4530 1 15 . 1 1 59 59 TRP H H 56 8.362 8.362 7.932 0.430 18015 4531 1 15 . 1 1 60 60 ARG N N 57 117.543 117.543 118.628 -1.085 18015 4532 1 15 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.375 -0.497 18015 4533 1 15 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.710 0.997 18015 4534 1 15 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.614 1.678 18015 4535 1 15 . 1 1 60 60 ARG H H 57 8.464 8.464 8.492 -0.028 18015 4536 1 15 . 1 1 61 61 LYS N N 58 118.252 118.252 118.959 -0.707 18015 4537 1 15 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.182 0.026 18015 4538 1 15 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.707 -0.408 18015 4539 1 15 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.535 0.597 18015 4540 1 15 . 1 1 61 61 LYS H H 58 7.770 7.770 8.204 -0.434 18015 4541 1 15 . 1 1 62 62 ARG N N 59 116.854 116.854 118.067 -1.213 18015 4542 1 15 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.236 0.167 18015 4543 1 15 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.783 -1.566 18015 4544 1 15 . 1 1 62 62 ARG CB C 59 31.201 31.201 30.935 0.266 18015 4545 1 15 . 1 1 62 62 ARG H H 59 7.978 7.978 8.217 -0.239 18015 4546 1 15 . 1 1 63 63 GLU N N 60 119.450 119.450 114.642 4.808 18015 4547 1 15 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.439 -0.456 18015 4548 1 15 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.528 1.395 18015 4549 1 15 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.458 -0.457 18015 4550 1 15 . 1 1 63 63 GLU H H 60 8.078 8.078 7.997 0.081 18015 4551 1 15 . 1 1 64 64 GLU N N 61 120.134 120.134 119.377 0.757 18015 4552 1 15 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.175 -0.401 18015 4553 1 15 . 1 1 64 64 GLU CA C 61 57.450 57.450 59.591 -2.141 18015 4554 1 15 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.135 0.762 18015 4555 1 15 . 1 1 64 64 GLU H H 61 7.889 7.889 8.215 -0.326 18015 4556 1 15 . 1 1 65 65 PHE N N 62 118.794 118.794 111.981 6.813 18015 4557 1 15 . 1 1 65 65 PHE HA H 62 4.578 4.578 5.275 -0.697 18015 4558 1 15 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.214 -0.253 18015 4559 1 15 . 1 1 65 65 PHE CB C 62 39.297 39.297 41.274 -1.977 18015 4560 1 15 . 1 1 65 65 PHE H H 62 7.731 7.731 7.752 -0.021 18015 4561 1 15 . 1 1 66 66 ILE N N 63 123.529 123.529 123.304 0.225 18015 4562 1 15 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.885 0.245 18015 4563 1 15 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.364 -0.430 18015 4564 1 15 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.044 0.499 18015 4565 1 15 . 1 1 66 66 ILE H H 63 7.802 7.802 7.214 0.588 18015 4566 1 15 . 1 1 67 67 VAL N N 64 125.799 125.799 129.041 -3.242 18015 4567 1 15 . 1 1 67 67 VAL HA H 64 4.197 4.197 3.971 0.226 18015 4568 1 15 . 1 1 67 67 VAL CA C 64 62.225 62.225 63.752 -1.527 18015 4569 1 15 . 1 1 67 67 VAL CB C 64 32.811 32.811 32.377 0.435 18015 4570 1 15 . 1 1 67 67 VAL H H 64 8.292 8.292 8.302 -0.010 18015 4571 1 15 . 1 1 68 68 THR N N 65 118.825 118.825 121.273 -2.448 18015 4572 1 15 . 1 1 68 68 THR HA H 65 4.440 4.440 4.286 0.154 18015 4573 1 15 . 1 1 68 68 THR CA C 65 61.236 61.236 62.438 -1.202 18015 4574 1 15 . 1 1 68 68 THR CB C 65 70.114 70.114 69.221 0.893 18015 4575 1 15 . 1 1 68 68 THR H H 65 8.353 8.353 8.449 -0.096 18015 4576 1 16 . 1 1 5 5 ARG N N 2 123.855 123.855 119.082 4.773 18015 4577 1 16 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.675 -0.200 18015 4578 1 16 . 1 1 5 5 ARG CA C 2 55.904 55.904 54.822 1.082 18015 4579 1 16 . 1 1 5 5 ARG H H 2 8.472 8.472 7.748 0.724 18015 4580 1 16 . 1 1 6 6 ARG N N 3 125.147 125.147 120.622 4.525 18015 4581 1 16 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.427 -0.143 18015 4582 1 16 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.883 0.502 18015 4583 1 16 . 1 1 6 6 ARG H H 3 9.078 9.078 8.481 0.597 18015 4584 1 16 . 1 1 7 7 GLN N N 4 122.134 122.134 120.435 1.699 18015 4585 1 16 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.326 -0.025 18015 4586 1 16 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.792 -0.221 18015 4587 1 16 . 1 1 7 7 GLN CB C 4 29.550 29.550 29.107 0.443 18015 4588 1 16 . 1 1 7 7 GLN H H 4 8.475 8.475 8.278 0.197 18015 4589 1 16 . 1 1 8 8 ARG N N 5 124.132 124.132 119.915 4.217 18015 4590 1 16 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.471 -0.186 18015 4591 1 16 . 1 1 8 8 ARG H H 5 8.631 8.631 8.330 0.301 18015 4592 1 16 . 1 1 9 9 THR N N 6 125.523 125.523 117.897 7.626 18015 4593 1 16 . 1 1 9 9 THR HA H 6 3.831 3.831 3.864 -0.033 18015 4594 1 16 . 1 1 9 9 THR CA C 6 64.978 64.978 62.849 2.129 18015 4595 1 16 . 1 1 9 9 THR CB C 6 69.109 69.109 68.853 0.256 18015 4596 1 16 . 1 1 9 9 THR H H 6 8.036 8.036 8.257 -0.221 18015 4597 1 16 . 1 1 10 10 HIS N N 7 125.571 125.571 122.777 2.794 18015 4598 1 16 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.456 0.305 18015 4599 1 16 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.896 -1.127 18015 4600 1 16 . 1 1 10 10 HIS H H 7 8.690 8.690 7.426 1.264 18015 4601 1 16 . 1 1 11 11 PHE N N 8 126.330 126.330 118.504 7.826 18015 4602 1 16 . 1 1 11 11 PHE HA H 8 4.834 4.834 5.168 -0.334 18015 4603 1 16 . 1 1 11 11 PHE CB C 8 40.533 40.533 41.436 -0.903 18015 4604 1 16 . 1 1 11 11 PHE H H 8 8.703 8.703 7.316 1.387 18015 4605 1 16 . 1 1 12 12 THR N N 9 113.642 113.642 114.211 -0.569 18015 4606 1 16 . 1 1 12 12 THR HA H 9 4.542 4.542 4.864 -0.322 18015 4607 1 16 . 1 1 12 12 THR CA C 9 60.379 60.379 59.680 0.699 18015 4608 1 16 . 1 1 12 12 THR H H 9 9.165 9.165 9.117 0.048 18015 4609 1 16 . 1 1 13 13 SER N N 10 116.602 116.602 117.669 -1.067 18015 4610 1 16 . 1 1 13 13 SER HA H 10 4.187 4.187 4.068 0.119 18015 4611 1 16 . 1 1 13 13 SER CA C 10 61.887 61.887 61.464 0.423 18015 4612 1 16 . 1 1 13 13 SER CB C 10 62.286 62.286 62.988 -0.702 18015 4613 1 16 . 1 1 13 13 SER H H 10 9.188 9.188 8.840 0.348 18015 4614 1 16 . 1 1 14 14 GLN N N 11 120.969 120.969 120.274 0.695 18015 4615 1 16 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.090 -0.037 18015 4616 1 16 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.121 1.457 18015 4617 1 16 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.048 -0.134 18015 4618 1 16 . 1 1 14 14 GLN H H 11 8.415 8.415 8.593 -0.178 18015 4619 1 16 . 1 1 15 15 GLN N N 12 119.255 119.255 118.085 1.170 18015 4620 1 16 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.099 -0.266 18015 4621 1 16 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.477 0.959 18015 4622 1 16 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.335 -1.370 18015 4623 1 16 . 1 1 15 15 GLN H H 12 7.799 7.799 7.545 0.254 18015 4624 1 16 . 1 1 16 16 LEU N N 13 117.041 117.041 121.127 -4.086 18015 4625 1 16 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.569 0.047 18015 4626 1 16 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.811 0.082 18015 4627 1 16 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.470 0.136 18015 4628 1 16 . 1 1 16 16 LEU H H 13 8.299 8.299 8.621 -0.322 18015 4629 1 16 . 1 1 17 17 GLN N N 14 118.025 118.025 117.183 0.842 18015 4630 1 16 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.009 -0.017 18015 4631 1 16 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.847 0.310 18015 4632 1 16 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.346 0.161 18015 4633 1 16 . 1 1 17 17 GLN H H 14 8.160 8.160 8.238 -0.078 18015 4634 1 16 . 1 1 18 18 GLU N N 15 119.789 119.789 119.928 -0.139 18015 4635 1 16 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.285 -0.104 18015 4636 1 16 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.877 0.660 18015 4637 1 16 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.572 -0.122 18015 4638 1 16 . 1 1 18 18 GLU H H 15 7.582 7.582 7.697 -0.115 18015 4639 1 16 . 1 1 19 19 LEU N N 16 123.483 123.483 120.744 2.739 18015 4640 1 16 . 1 1 19 19 LEU HA H 16 3.513 3.513 4.011 -0.498 18015 4641 1 16 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.316 0.254 18015 4642 1 16 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.134 -3.268 18015 4643 1 16 . 1 1 19 19 LEU H H 16 8.313 8.313 7.457 0.856 18015 4644 1 16 . 1 1 20 20 GLU N N 17 119.146 119.146 118.044 1.102 18015 4645 1 16 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.217 0.188 18015 4646 1 16 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.490 -0.560 18015 4647 1 16 . 1 1 20 20 GLU H H 17 8.257 8.257 8.568 -0.311 18015 4648 1 16 . 1 1 21 21 ALA N N 18 120.611 120.611 122.003 -1.392 18015 4649 1 16 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.226 -0.046 18015 4650 1 16 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.787 0.397 18015 4651 1 16 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.103 -0.089 18015 4652 1 16 . 1 1 21 21 ALA H H 18 7.954 7.954 7.688 0.266 18015 4653 1 16 . 1 1 22 22 THR N N 19 113.517 113.517 116.301 -2.784 18015 4654 1 16 . 1 1 22 22 THR HA H 19 4.103 4.103 4.189 -0.086 18015 4655 1 16 . 1 1 22 22 THR CA C 19 66.956 66.956 66.414 0.542 18015 4656 1 16 . 1 1 22 22 THR CB C 19 68.338 68.338 69.036 -0.698 18015 4657 1 16 . 1 1 22 22 THR H H 19 7.940 7.940 7.761 0.179 18015 4658 1 16 . 1 1 23 23 PHE N N 20 125.431 125.431 123.056 2.375 18015 4659 1 16 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.775 -0.402 18015 4660 1 16 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.532 1.210 18015 4661 1 16 . 1 1 23 23 PHE H H 20 8.839 8.839 8.611 0.228 18015 4662 1 16 . 1 1 24 24 GLN N N 21 112.304 112.304 118.040 -5.736 18015 4663 1 16 . 1 1 24 24 GLN HA H 21 3.806 3.806 3.781 0.025 18015 4664 1 16 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.773 -0.367 18015 4665 1 16 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.698 -0.547 18015 4666 1 16 . 1 1 24 24 GLN H H 21 7.921 7.921 8.175 -0.254 18015 4667 1 16 . 1 1 25 25 ARG N N 22 116.707 116.707 117.013 -0.306 18015 4668 1 16 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.413 -0.049 18015 4669 1 16 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.486 0.659 18015 4670 1 16 . 1 1 25 25 ARG CB C 22 31.565 31.565 31.934 -0.369 18015 4671 1 16 . 1 1 25 25 ARG H H 22 7.408 7.408 7.786 -0.378 18015 4672 1 16 . 1 1 26 26 ASN N N 23 119.274 119.274 118.965 0.309 18015 4673 1 16 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.903 -0.420 18015 4674 1 16 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.819 0.015 18015 4675 1 16 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.444 -1.881 18015 4676 1 16 . 1 1 26 26 ASN H H 23 8.251 8.251 8.440 -0.189 18015 4677 1 16 . 1 1 27 27 ARG N N 24 121.408 121.408 124.545 -3.137 18015 4678 1 16 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.401 -0.601 18015 4679 1 16 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.855 -0.209 18015 4680 1 16 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.672 0.332 18015 4681 1 16 . 1 1 27 27 ARG H H 24 8.400 8.400 8.694 -0.294 18015 4682 1 16 . 1 1 28 28 TYR N N 25 113.992 113.992 117.825 -3.833 18015 4683 1 16 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.837 -0.179 18015 4684 1 16 . 1 1 28 28 TYR CA C 25 55.691 55.691 55.575 0.116 18015 4685 1 16 . 1 1 28 28 TYR CB C 25 39.135 39.135 39.178 -0.044 18015 4686 1 16 . 1 1 28 28 TYR H H 25 7.734 7.734 8.071 -0.337 18015 4687 1 16 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.360 0.051 18015 4688 1 16 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.551 0.114 18015 4689 1 16 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.300 -1.247 18015 4690 1 16 . 1 1 30 30 ASP N N 27 124.189 124.189 118.790 5.399 18015 4691 1 16 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.672 -0.178 18015 4692 1 16 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.817 -1.287 18015 4693 1 16 . 1 1 30 30 ASP CB C 27 40.573 40.573 43.251 -2.678 18015 4694 1 16 . 1 1 30 30 ASP H H 27 8.467 8.467 8.158 0.309 18015 4695 1 16 . 1 1 31 31 MET N N 28 119.367 119.367 121.728 -2.361 18015 4696 1 16 . 1 1 31 31 MET HA H 28 3.861 3.861 4.159 -0.298 18015 4697 1 16 . 1 1 31 31 MET CA C 28 60.361 60.361 58.480 1.881 18015 4698 1 16 . 1 1 31 31 MET CB C 28 32.022 32.022 32.426 -0.404 18015 4699 1 16 . 1 1 31 31 MET H H 28 8.687 8.687 8.608 0.079 18015 4700 1 16 . 1 1 32 32 SER N N 29 113.279 113.279 112.680 0.599 18015 4701 1 16 . 1 1 32 32 SER HA H 29 4.245 4.245 4.376 -0.131 18015 4702 1 16 . 1 1 32 32 SER CA C 29 61.815 61.815 60.438 1.377 18015 4703 1 16 . 1 1 32 32 SER CB C 29 62.447 62.447 63.211 -0.764 18015 4704 1 16 . 1 1 32 32 SER H H 29 8.387 8.387 8.588 -0.201 18015 4705 1 16 . 1 1 33 33 THR N N 30 120.829 120.829 118.000 2.829 18015 4706 1 16 . 1 1 33 33 THR HA H 30 4.004 4.004 4.499 -0.495 18015 4707 1 16 . 1 1 33 33 THR CA C 30 66.957 66.957 64.623 2.334 18015 4708 1 16 . 1 1 33 33 THR CB C 30 67.626 67.626 70.011 -2.385 18015 4709 1 16 . 1 1 33 33 THR H H 30 8.406 8.406 7.529 0.877 18015 4710 1 16 . 1 1 34 34 ARG N N 31 120.944 120.944 121.517 -0.573 18015 4711 1 16 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.859 0.011 18015 4712 1 16 . 1 1 34 34 ARG CA C 31 61.158 61.158 60.113 1.045 18015 4713 1 16 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.199 2.256 18015 4714 1 16 . 1 1 34 34 ARG H H 31 8.955 8.955 8.601 0.354 18015 4715 1 16 . 1 1 35 35 GLU N N 32 118.711 118.711 118.260 0.451 18015 4716 1 16 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.029 -0.036 18015 4717 1 16 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.035 0.796 18015 4718 1 16 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.815 0.418 18015 4719 1 16 . 1 1 35 35 GLU H H 32 8.608 8.608 7.882 0.726 18015 4720 1 16 . 1 1 36 36 GLU N N 33 121.133 121.133 120.206 0.927 18015 4721 1 16 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.570 0.427 18015 4722 1 16 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.337 1.355 18015 4723 1 16 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.400 -0.048 18015 4724 1 16 . 1 1 36 36 GLU H H 33 7.639 7.639 7.527 0.112 18015 4725 1 16 . 1 1 37 37 ILE N N 34 119.761 119.761 120.261 -0.500 18015 4726 1 16 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.611 0.020 18015 4727 1 16 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.662 -0.934 18015 4728 1 16 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.557 0.974 18015 4729 1 16 . 1 1 37 37 ILE H H 34 8.415 8.415 7.885 0.530 18015 4730 1 16 . 1 1 38 38 ALA N N 35 124.272 124.272 122.760 1.512 18015 4731 1 16 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.158 -0.477 18015 4732 1 16 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.894 0.815 18015 4733 1 16 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.497 -1.546 18015 4734 1 16 . 1 1 38 38 ALA H H 35 8.551 8.551 7.734 0.817 18015 4735 1 16 . 1 1 39 39 VAL N N 36 118.330 118.330 117.320 1.010 18015 4736 1 16 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.675 0.143 18015 4737 1 16 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.085 0.399 18015 4738 1 16 . 1 1 39 39 VAL CB C 36 31.585 31.585 30.946 0.639 18015 4739 1 16 . 1 1 39 39 VAL H H 36 7.791 7.791 7.475 0.316 18015 4740 1 16 . 1 1 40 40 TRP N N 37 120.237 120.237 119.002 1.235 18015 4741 1 16 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.461 0.170 18015 4742 1 16 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.204 0.896 18015 4743 1 16 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.775 0.040 18015 4744 1 16 . 1 1 40 40 TRP H H 37 8.109 8.109 7.809 0.300 18015 4745 1 16 . 1 1 41 41 THR N N 38 104.809 104.809 106.961 -2.152 18015 4746 1 16 . 1 1 41 41 THR HA H 38 4.374 4.374 4.468 -0.094 18015 4747 1 16 . 1 1 41 41 THR CA C 38 61.723 61.723 61.634 0.089 18015 4748 1 16 . 1 1 41 41 THR CB C 38 71.088 71.088 70.120 0.968 18015 4749 1 16 . 1 1 41 41 THR H H 38 8.011 8.011 7.610 0.401 18015 4750 1 16 . 1 1 42 42 ASN N N 39 118.978 118.978 118.103 0.875 18015 4751 1 16 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.427 0.107 18015 4752 1 16 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.668 0.239 18015 4753 1 16 . 1 1 42 42 ASN CB C 39 37.285 37.285 38.166 -0.881 18015 4754 1 16 . 1 1 42 42 ASN H H 39 7.925 7.925 8.195 -0.270 18015 4755 1 16 . 1 1 43 43 LEU N N 40 120.124 120.124 117.676 2.448 18015 4756 1 16 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.359 0.686 18015 4757 1 16 . 1 1 43 43 LEU CA C 40 53.068 53.068 55.690 -2.622 18015 4758 1 16 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.290 3.821 18015 4759 1 16 . 1 1 43 43 LEU H H 40 8.635 8.635 7.399 1.236 18015 4760 1 16 . 1 1 44 44 THR N N 41 106.690 106.690 107.578 -0.888 18015 4761 1 16 . 1 1 44 44 THR HA H 41 4.715 4.715 4.610 0.105 18015 4762 1 16 . 1 1 44 44 THR CA C 41 59.511 59.511 59.842 -0.331 18015 4763 1 16 . 1 1 44 44 THR CB C 41 71.419 71.419 71.124 0.295 18015 4764 1 16 . 1 1 44 44 THR H H 41 7.081 7.081 8.011 -0.930 18015 4765 1 16 . 1 1 45 45 GLU N N 42 124.087 124.087 123.396 0.691 18015 4766 1 16 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.885 -0.255 18015 4767 1 16 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.413 1.120 18015 4768 1 16 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.310 -0.894 18015 4769 1 16 . 1 1 45 45 GLU H H 42 9.452 9.452 8.992 0.460 18015 4770 1 16 . 1 1 46 46 ALA N N 43 119.687 119.687 119.812 -0.125 18015 4771 1 16 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.222 -0.212 18015 4772 1 16 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.640 0.979 18015 4773 1 16 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.221 0.378 18015 4774 1 16 . 1 1 46 46 ALA H H 43 8.467 8.467 8.516 -0.049 18015 4775 1 16 . 1 1 47 47 ARG N N 44 116.856 116.856 118.231 -1.375 18015 4776 1 16 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.396 -0.083 18015 4777 1 16 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.566 1.468 18015 4778 1 16 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.979 1.506 18015 4779 1 16 . 1 1 47 47 ARG H H 44 7.657 7.657 8.039 -0.382 18015 4780 1 16 . 1 1 48 48 VAL N N 45 120.046 120.046 121.562 -1.516 18015 4781 1 16 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.841 -0.077 18015 4782 1 16 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.928 0.380 18015 4783 1 16 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.384 1.151 18015 4784 1 16 . 1 1 48 48 VAL H H 45 8.008 8.008 7.793 0.215 18015 4785 1 16 . 1 1 49 49 ARG N N 46 121.544 121.544 120.299 1.245 18015 4786 1 16 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.063 -0.129 18015 4787 1 16 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.030 0.578 18015 4788 1 16 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.202 0.367 18015 4789 1 16 . 1 1 49 49 ARG H H 46 9.432 9.432 8.180 1.252 18015 4790 1 16 . 1 1 50 50 VAL N N 47 120.747 120.747 119.221 1.526 18015 4791 1 16 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.780 -0.138 18015 4792 1 16 . 1 1 50 50 VAL CA C 47 67.087 67.087 67.071 0.016 18015 4793 1 16 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.615 0.852 18015 4794 1 16 . 1 1 50 50 VAL H H 47 8.103 8.103 7.872 0.231 18015 4795 1 16 . 1 1 51 51 TRP N N 48 122.857 122.857 121.441 1.416 18015 4796 1 16 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.110 0.773 18015 4797 1 16 . 1 1 51 51 TRP H H 48 8.430 8.430 7.970 0.460 18015 4798 1 16 . 1 1 52 52 PHE N N 49 118.314 118.314 118.373 -0.059 18015 4799 1 16 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.885 -0.170 18015 4800 1 16 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.704 0.904 18015 4801 1 16 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.096 0.360 18015 4802 1 16 . 1 1 52 52 PHE H H 49 9.045 9.045 8.512 0.533 18015 4803 1 16 . 1 1 53 53 LYS N N 50 121.307 121.307 119.200 2.107 18015 4804 1 16 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.850 0.092 18015 4805 1 16 . 1 1 53 53 LYS CA C 50 60.667 60.667 60.168 0.499 18015 4806 1 16 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.963 1.250 18015 4807 1 16 . 1 1 53 53 LYS H H 50 7.915 7.915 8.375 -0.460 18015 4808 1 16 . 1 1 54 54 ASN N N 51 119.377 119.377 118.917 0.460 18015 4809 1 16 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.451 0.055 18015 4810 1 16 . 1 1 54 54 ASN CA C 51 56.168 56.168 56.231 -0.063 18015 4811 1 16 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.603 -0.370 18015 4812 1 16 . 1 1 54 54 ASN H H 51 8.669 8.669 8.656 0.013 18015 4813 1 16 . 1 1 55 55 ARG N N 52 125.530 125.530 119.042 6.488 18015 4814 1 16 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.852 -0.170 18015 4815 1 16 . 1 1 55 55 ARG CB C 52 27.575 27.575 28.965 -1.390 18015 4816 1 16 . 1 1 55 55 ARG H H 52 8.851 8.851 7.611 1.240 18015 4817 1 16 . 1 1 56 56 ARG N N 53 120.194 120.194 119.563 0.631 18015 4818 1 16 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.136 0.163 18015 4819 1 16 . 1 1 56 56 ARG CA C 53 61.263 61.263 57.537 3.726 18015 4820 1 16 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.269 2.210 18015 4821 1 16 . 1 1 56 56 ARG H H 53 8.620 8.620 7.415 1.205 18015 4822 1 16 . 1 1 57 57 ALA N N 54 121.998 121.998 122.788 -0.790 18015 4823 1 16 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.105 0.235 18015 4824 1 16 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.870 0.765 18015 4825 1 16 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.052 -0.562 18015 4826 1 16 . 1 1 57 57 ALA H H 54 7.386 7.386 8.630 -1.244 18015 4827 1 16 . 1 1 58 58 LYS N N 55 120.111 120.111 119.446 0.665 18015 4828 1 16 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.992 0.074 18015 4829 1 16 . 1 1 58 58 LYS CA C 55 59.624 59.624 59.225 0.399 18015 4830 1 16 . 1 1 58 58 LYS H H 55 7.716 7.716 7.979 -0.263 18015 4831 1 16 . 1 1 59 59 TRP N N 56 121.249 121.249 119.744 1.505 18015 4832 1 16 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.395 0.176 18015 4833 1 16 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.889 -0.466 18015 4834 1 16 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.727 -0.076 18015 4835 1 16 . 1 1 59 59 TRP H H 56 8.362 8.362 7.858 0.504 18015 4836 1 16 . 1 1 60 60 ARG N N 57 117.543 117.543 117.381 0.162 18015 4837 1 16 . 1 1 60 60 ARG HA H 57 3.878 3.878 4.424 -0.546 18015 4838 1 16 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.037 1.670 18015 4839 1 16 . 1 1 60 60 ARG CB C 57 31.292 31.292 30.535 0.757 18015 4840 1 16 . 1 1 60 60 ARG H H 57 8.464 8.464 7.622 0.842 18015 4841 1 16 . 1 1 61 61 LYS N N 58 118.252 118.252 120.439 -2.187 18015 4842 1 16 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.107 0.101 18015 4843 1 16 . 1 1 61 61 LYS CA C 58 58.299 58.299 59.292 -0.993 18015 4844 1 16 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.302 0.830 18015 4845 1 16 . 1 1 61 61 LYS H H 58 7.770 7.770 8.515 -0.745 18015 4846 1 16 . 1 1 62 62 ARG N N 59 116.854 116.854 119.752 -2.898 18015 4847 1 16 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.152 0.251 18015 4848 1 16 . 1 1 62 62 ARG CA C 59 56.217 56.217 58.424 -2.207 18015 4849 1 16 . 1 1 62 62 ARG CB C 59 31.201 31.201 30.980 0.221 18015 4850 1 16 . 1 1 62 62 ARG H H 59 7.978 7.978 7.511 0.467 18015 4851 1 16 . 1 1 63 63 GLU N N 60 119.450 119.450 116.990 2.460 18015 4852 1 16 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.697 -0.714 18015 4853 1 16 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.962 0.961 18015 4854 1 16 . 1 1 63 63 GLU CB C 60 30.001 30.001 29.988 0.012 18015 4855 1 16 . 1 1 63 63 GLU H H 60 8.078 8.078 8.249 -0.171 18015 4856 1 16 . 1 1 64 64 GLU N N 61 120.134 120.134 120.213 -0.079 18015 4857 1 16 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.211 -0.437 18015 4858 1 16 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.215 -0.765 18015 4859 1 16 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.583 0.314 18015 4860 1 16 . 1 1 64 64 GLU H H 61 7.889 7.889 8.577 -0.688 18015 4861 1 16 . 1 1 65 65 PHE N N 62 118.794 118.794 116.480 2.314 18015 4862 1 16 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.340 0.238 18015 4863 1 16 . 1 1 65 65 PHE CA C 62 56.961 56.961 59.217 -2.256 18015 4864 1 16 . 1 1 65 65 PHE CB C 62 39.297 39.297 39.691 -0.394 18015 4865 1 16 . 1 1 65 65 PHE H H 62 7.731 7.731 8.126 -0.395 18015 4866 1 16 . 1 1 66 66 ILE N N 63 123.529 123.529 121.561 1.968 18015 4867 1 16 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.211 -0.081 18015 4868 1 16 . 1 1 66 66 ILE CA C 63 60.934 60.934 60.804 0.130 18015 4869 1 16 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.909 -0.366 18015 4870 1 16 . 1 1 66 66 ILE H H 63 7.802 7.802 7.133 0.669 18015 4871 1 16 . 1 1 67 67 VAL N N 64 125.799 125.799 126.878 -1.079 18015 4872 1 16 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.452 -0.256 18015 4873 1 16 . 1 1 67 67 VAL CA C 64 62.225 62.225 61.771 0.454 18015 4874 1 16 . 1 1 67 67 VAL CB C 64 32.811 32.811 34.049 -1.238 18015 4875 1 16 . 1 1 67 67 VAL H H 64 8.292 8.292 8.338 -0.046 18015 4876 1 16 . 1 1 68 68 THR N N 65 118.825 118.825 115.482 3.343 18015 4877 1 16 . 1 1 68 68 THR HA H 65 4.440 4.440 3.988 0.452 18015 4878 1 16 . 1 1 68 68 THR CA C 65 61.236 61.236 63.574 -2.338 18015 4879 1 16 . 1 1 68 68 THR CB C 65 70.114 70.114 67.998 2.116 18015 4880 1 16 . 1 1 68 68 THR H H 65 8.353 8.353 8.242 0.111 18015 4881 1 17 . 1 1 5 5 ARG N N 2 123.855 123.855 120.269 3.586 18015 4882 1 17 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.545 -0.070 18015 4883 1 17 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.736 0.168 18015 4884 1 17 . 1 1 5 5 ARG H H 2 8.472 8.472 8.501 -0.029 18015 4885 1 17 . 1 1 6 6 ARG N N 3 125.147 125.147 123.157 1.990 18015 4886 1 17 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.070 0.214 18015 4887 1 17 . 1 1 6 6 ARG CA C 3 56.385 56.385 56.909 -0.524 18015 4888 1 17 . 1 1 6 6 ARG H H 3 9.078 9.078 8.630 0.448 18015 4889 1 17 . 1 1 7 7 GLN N N 4 122.134 122.134 122.907 -0.773 18015 4890 1 17 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.132 0.169 18015 4891 1 17 . 1 1 7 7 GLN CA C 4 55.571 55.571 56.194 -0.623 18015 4892 1 17 . 1 1 7 7 GLN CB C 4 29.550 29.550 28.944 0.606 18015 4893 1 17 . 1 1 7 7 GLN H H 4 8.475 8.475 8.593 -0.118 18015 4894 1 17 . 1 1 8 8 ARG N N 5 124.132 124.132 121.426 2.706 18015 4895 1 17 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.131 0.154 18015 4896 1 17 . 1 1 8 8 ARG H H 5 8.631 8.631 7.982 0.649 18015 4897 1 17 . 1 1 9 9 THR N N 6 125.523 125.523 115.713 9.810 18015 4898 1 17 . 1 1 9 9 THR HA H 6 3.831 3.831 4.158 -0.327 18015 4899 1 17 . 1 1 9 9 THR CA C 6 64.978 64.978 61.926 3.052 18015 4900 1 17 . 1 1 9 9 THR CB C 6 69.109 69.109 69.373 -0.264 18015 4901 1 17 . 1 1 9 9 THR H H 6 8.036 8.036 8.081 -0.045 18015 4902 1 17 . 1 1 10 10 HIS N N 7 125.571 125.571 122.756 2.815 18015 4903 1 17 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.671 0.090 18015 4904 1 17 . 1 1 10 10 HIS CB C 7 28.769 28.769 28.030 0.739 18015 4905 1 17 . 1 1 10 10 HIS H H 7 8.690 8.690 8.582 0.108 18015 4906 1 17 . 1 1 11 11 PHE N N 8 126.330 126.330 122.065 4.265 18015 4907 1 17 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.376 0.458 18015 4908 1 17 . 1 1 11 11 PHE CB C 8 40.533 40.533 39.230 1.303 18015 4909 1 17 . 1 1 11 11 PHE H H 8 8.703 8.703 7.997 0.706 18015 4910 1 17 . 1 1 12 12 THR N N 9 113.642 113.642 115.480 -1.838 18015 4911 1 17 . 1 1 12 12 THR HA H 9 4.542 4.542 4.464 0.078 18015 4912 1 17 . 1 1 12 12 THR CA C 9 60.379 60.379 62.046 -1.667 18015 4913 1 17 . 1 1 12 12 THR H H 9 9.165 9.165 9.138 0.027 18015 4914 1 17 . 1 1 13 13 SER N N 10 116.602 116.602 118.449 -1.847 18015 4915 1 17 . 1 1 13 13 SER HA H 10 4.187 4.187 4.084 0.103 18015 4916 1 17 . 1 1 13 13 SER CA C 10 61.887 61.887 61.617 0.270 18015 4917 1 17 . 1 1 13 13 SER CB C 10 62.286 62.286 62.996 -0.710 18015 4918 1 17 . 1 1 13 13 SER H H 10 9.188 9.188 8.878 0.310 18015 4919 1 17 . 1 1 14 14 GLN N N 11 120.969 120.969 121.310 -0.341 18015 4920 1 17 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.080 -0.027 18015 4921 1 17 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.485 1.093 18015 4922 1 17 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.033 -0.119 18015 4923 1 17 . 1 1 14 14 GLN H H 11 8.415 8.415 8.530 -0.115 18015 4924 1 17 . 1 1 15 15 GLN N N 12 119.255 119.255 119.248 0.007 18015 4925 1 17 . 1 1 15 15 GLN HA H 12 3.833 3.833 3.905 -0.072 18015 4926 1 17 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.814 0.622 18015 4927 1 17 . 1 1 15 15 GLN CB C 12 27.965 27.965 28.895 -0.930 18015 4928 1 17 . 1 1 15 15 GLN H H 12 7.799 7.799 7.716 0.083 18015 4929 1 17 . 1 1 16 16 LEU N N 13 117.041 117.041 120.188 -3.147 18015 4930 1 17 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.555 0.061 18015 4931 1 17 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.530 0.363 18015 4932 1 17 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.364 0.242 18015 4933 1 17 . 1 1 16 16 LEU H H 13 8.299 8.299 7.861 0.438 18015 4934 1 17 . 1 1 17 17 GLN N N 14 118.025 118.025 117.241 0.784 18015 4935 1 17 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.186 -0.194 18015 4936 1 17 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.438 0.719 18015 4937 1 17 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.122 0.385 18015 4938 1 17 . 1 1 17 17 GLN H H 14 8.160 8.160 8.406 -0.246 18015 4939 1 17 . 1 1 18 18 GLU N N 15 119.789 119.789 120.128 -0.339 18015 4940 1 17 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.208 -0.027 18015 4941 1 17 . 1 1 18 18 GLU CA C 15 58.538 58.538 58.032 0.506 18015 4942 1 17 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.623 -0.173 18015 4943 1 17 . 1 1 18 18 GLU H H 15 7.582 7.582 7.533 0.049 18015 4944 1 17 . 1 1 19 19 LEU N N 16 123.483 123.483 120.668 2.815 18015 4945 1 17 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.798 -0.285 18015 4946 1 17 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.211 0.359 18015 4947 1 17 . 1 1 19 19 LEU CB C 16 37.866 37.866 40.981 -3.115 18015 4948 1 17 . 1 1 19 19 LEU H H 16 8.313 8.313 7.351 0.962 18015 4949 1 17 . 1 1 20 20 GLU N N 17 119.146 119.146 118.884 0.262 18015 4950 1 17 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.070 0.335 18015 4951 1 17 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.588 -0.658 18015 4952 1 17 . 1 1 20 20 GLU H H 17 8.257 8.257 8.628 -0.371 18015 4953 1 17 . 1 1 21 21 ALA N N 18 120.611 120.611 121.828 -1.217 18015 4954 1 17 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.150 0.030 18015 4955 1 17 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.829 0.355 18015 4956 1 17 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.170 -0.156 18015 4957 1 17 . 1 1 21 21 ALA H H 18 7.954 7.954 7.660 0.294 18015 4958 1 17 . 1 1 22 22 THR N N 19 113.517 113.517 114.990 -1.473 18015 4959 1 17 . 1 1 22 22 THR HA H 19 4.103 4.103 4.125 -0.022 18015 4960 1 17 . 1 1 22 22 THR CA C 19 66.956 66.956 66.496 0.460 18015 4961 1 17 . 1 1 22 22 THR CB C 19 68.338 68.338 68.956 -0.618 18015 4962 1 17 . 1 1 22 22 THR H H 19 7.940 7.940 7.606 0.334 18015 4963 1 17 . 1 1 23 23 PHE N N 20 125.431 125.431 122.941 2.490 18015 4964 1 17 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.587 -0.214 18015 4965 1 17 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.802 0.940 18015 4966 1 17 . 1 1 23 23 PHE H H 20 8.839 8.839 8.716 0.123 18015 4967 1 17 . 1 1 24 24 GLN N N 21 112.304 112.304 117.294 -4.990 18015 4968 1 17 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.211 -0.405 18015 4969 1 17 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.764 -0.358 18015 4970 1 17 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.976 -0.825 18015 4971 1 17 . 1 1 24 24 GLN H H 21 7.921 7.921 8.152 -0.231 18015 4972 1 17 . 1 1 25 25 ARG N N 22 116.707 116.707 115.523 1.184 18015 4973 1 17 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.495 -0.131 18015 4974 1 17 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.179 0.966 18015 4975 1 17 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.483 -0.918 18015 4976 1 17 . 1 1 25 25 ARG H H 22 7.408 7.408 7.845 -0.437 18015 4977 1 17 . 1 1 26 26 ASN N N 23 119.274 119.274 119.413 -0.139 18015 4978 1 17 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.832 -0.349 18015 4979 1 17 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.709 0.125 18015 4980 1 17 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.700 -2.137 18015 4981 1 17 . 1 1 26 26 ASN H H 23 8.251 8.251 8.340 -0.089 18015 4982 1 17 . 1 1 27 27 ARG N N 24 121.408 121.408 122.521 -1.113 18015 4983 1 17 . 1 1 27 27 ARG HA H 24 3.800 3.800 3.956 -0.156 18015 4984 1 17 . 1 1 27 27 ARG CA C 24 57.646 57.646 55.871 1.775 18015 4985 1 17 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.064 0.938 18015 4986 1 17 . 1 1 27 27 ARG H H 24 8.400 8.400 8.345 0.055 18015 4987 1 17 . 1 1 28 28 TYR N N 25 113.992 113.992 120.650 -6.658 18015 4988 1 17 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.893 -0.235 18015 4989 1 17 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.708 0.983 18015 4990 1 17 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.865 1.270 18015 4991 1 17 . 1 1 28 28 TYR H H 25 7.734 7.734 8.175 -0.441 18015 4992 1 17 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.415 -0.004 18015 4993 1 17 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.639 0.026 18015 4994 1 17 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.769 -1.716 18015 4995 1 17 . 1 1 30 30 ASP N N 27 124.189 124.189 118.979 5.210 18015 4996 1 17 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.724 -0.230 18015 4997 1 17 . 1 1 30 30 ASP CA C 27 52.530 52.530 52.153 0.377 18015 4998 1 17 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.952 -2.379 18015 4999 1 17 . 1 1 30 30 ASP H H 27 8.467 8.467 8.025 0.442 18015 5000 1 17 . 1 1 31 31 MET N N 28 119.367 119.367 121.690 -2.323 18015 5001 1 17 . 1 1 31 31 MET HA H 28 3.861 3.861 4.051 -0.190 18015 5002 1 17 . 1 1 31 31 MET CA C 28 60.361 60.361 58.604 1.757 18015 5003 1 17 . 1 1 31 31 MET CB C 28 32.022 32.022 32.373 -0.351 18015 5004 1 17 . 1 1 31 31 MET H H 28 8.687 8.687 8.538 0.149 18015 5005 1 17 . 1 1 32 32 SER N N 29 113.279 113.279 112.192 1.087 18015 5006 1 17 . 1 1 32 32 SER HA H 29 4.245 4.245 4.688 -0.443 18015 5007 1 17 . 1 1 32 32 SER CA C 29 61.815 61.815 58.976 2.839 18015 5008 1 17 . 1 1 32 32 SER CB C 29 62.447 62.447 63.322 -0.875 18015 5009 1 17 . 1 1 32 32 SER H H 29 8.387 8.387 8.369 0.018 18015 5010 1 17 . 1 1 33 33 THR N N 30 120.829 120.829 118.588 2.241 18015 5011 1 17 . 1 1 33 33 THR HA H 30 4.004 4.004 4.276 -0.272 18015 5012 1 17 . 1 1 33 33 THR CA C 30 66.957 66.957 65.240 1.717 18015 5013 1 17 . 1 1 33 33 THR CB C 30 67.626 67.626 69.134 -1.508 18015 5014 1 17 . 1 1 33 33 THR H H 30 8.406 8.406 7.614 0.792 18015 5015 1 17 . 1 1 34 34 ARG N N 31 120.944 120.944 122.188 -1.244 18015 5016 1 17 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.876 -0.006 18015 5017 1 17 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.924 1.234 18015 5018 1 17 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.366 2.089 18015 5019 1 17 . 1 1 34 34 ARG H H 31 8.955 8.955 8.630 0.325 18015 5020 1 17 . 1 1 35 35 GLU N N 32 118.711 118.711 117.998 0.713 18015 5021 1 17 . 1 1 35 35 GLU HA H 32 3.993 3.993 3.996 -0.003 18015 5022 1 17 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.016 0.815 18015 5023 1 17 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.823 0.410 18015 5024 1 17 . 1 1 35 35 GLU H H 32 8.608 8.608 7.817 0.791 18015 5025 1 17 . 1 1 36 36 GLU N N 33 121.133 121.133 120.390 0.743 18015 5026 1 17 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.436 0.561 18015 5027 1 17 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.449 1.244 18015 5028 1 17 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.140 0.212 18015 5029 1 17 . 1 1 36 36 GLU H H 33 7.639 7.639 7.537 0.102 18015 5030 1 17 . 1 1 37 37 ILE N N 34 119.761 119.761 119.638 0.123 18015 5031 1 17 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.492 0.139 18015 5032 1 17 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.395 -0.667 18015 5033 1 17 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.653 0.878 18015 5034 1 17 . 1 1 37 37 ILE H H 34 8.415 8.415 7.942 0.473 18015 5035 1 17 . 1 1 38 38 ALA N N 35 124.272 124.272 120.898 3.374 18015 5036 1 17 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.133 -0.452 18015 5037 1 17 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.341 1.368 18015 5038 1 17 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.381 -1.429 18015 5039 1 17 . 1 1 38 38 ALA H H 35 8.551 8.551 7.659 0.892 18015 5040 1 17 . 1 1 39 39 VAL N N 36 118.330 118.330 118.061 0.269 18015 5041 1 17 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.730 0.088 18015 5042 1 17 . 1 1 39 39 VAL CA C 36 66.484 66.484 65.778 0.706 18015 5043 1 17 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.086 0.499 18015 5044 1 17 . 1 1 39 39 VAL H H 36 7.791 7.791 7.233 0.558 18015 5045 1 17 . 1 1 40 40 TRP N N 37 120.237 120.237 121.978 -1.741 18015 5046 1 17 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.313 0.318 18015 5047 1 17 . 1 1 40 40 TRP CA C 37 59.100 59.100 59.043 0.057 18015 5048 1 17 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.423 0.392 18015 5049 1 17 . 1 1 40 40 TRP H H 37 8.109 8.109 7.979 0.130 18015 5050 1 17 . 1 1 41 41 THR N N 38 104.809 104.809 107.656 -2.847 18015 5051 1 17 . 1 1 41 41 THR HA H 38 4.374 4.374 4.374 0.000 18015 5052 1 17 . 1 1 41 41 THR CA C 38 61.723 61.723 61.711 0.012 18015 5053 1 17 . 1 1 41 41 THR CB C 38 71.088 71.088 69.861 1.227 18015 5054 1 17 . 1 1 41 41 THR H H 38 8.011 8.011 8.213 -0.202 18015 5055 1 17 . 1 1 42 42 ASN N N 39 118.978 118.978 118.561 0.417 18015 5056 1 17 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.447 0.087 18015 5057 1 17 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.151 0.756 18015 5058 1 17 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.926 -0.641 18015 5059 1 17 . 1 1 42 42 ASN H H 39 7.925 7.925 7.796 0.129 18015 5060 1 17 . 1 1 43 43 LEU N N 40 120.124 120.124 118.578 1.546 18015 5061 1 17 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.563 0.482 18015 5062 1 17 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.857 -1.789 18015 5063 1 17 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.077 4.034 18015 5064 1 17 . 1 1 43 43 LEU H H 40 8.635 8.635 7.691 0.944 18015 5065 1 17 . 1 1 44 44 THR N N 41 106.690 106.690 109.355 -2.665 18015 5066 1 17 . 1 1 44 44 THR HA H 41 4.715 4.715 4.529 0.186 18015 5067 1 17 . 1 1 44 44 THR CA C 41 59.511 59.511 59.471 0.040 18015 5068 1 17 . 1 1 44 44 THR CB C 41 71.419 71.419 70.626 0.793 18015 5069 1 17 . 1 1 44 44 THR H H 41 7.081 7.081 7.949 -0.868 18015 5070 1 17 . 1 1 45 45 GLU N N 42 124.087 124.087 122.773 1.314 18015 5071 1 17 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.911 -0.281 18015 5072 1 17 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.178 1.355 18015 5073 1 17 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.352 -0.936 18015 5074 1 17 . 1 1 45 45 GLU H H 42 9.452 9.452 8.943 0.509 18015 5075 1 17 . 1 1 46 46 ALA N N 43 119.687 119.687 121.866 -2.179 18015 5076 1 17 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.105 -0.095 18015 5077 1 17 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.983 0.636 18015 5078 1 17 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.186 0.413 18015 5079 1 17 . 1 1 46 46 ALA H H 43 8.467 8.467 7.976 0.491 18015 5080 1 17 . 1 1 47 47 ARG N N 44 116.856 116.856 118.134 -1.278 18015 5081 1 17 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.206 0.107 18015 5082 1 17 . 1 1 47 47 ARG CA C 44 59.034 59.034 58.171 0.863 18015 5083 1 17 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.491 1.994 18015 5084 1 17 . 1 1 47 47 ARG H H 44 7.657 7.657 7.566 0.091 18015 5085 1 17 . 1 1 48 48 VAL N N 45 120.046 120.046 120.433 -0.387 18015 5086 1 17 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.902 -0.138 18015 5087 1 17 . 1 1 48 48 VAL CA C 45 67.308 67.308 65.818 1.490 18015 5088 1 17 . 1 1 48 48 VAL CB C 45 32.535 32.535 30.906 1.629 18015 5089 1 17 . 1 1 48 48 VAL H H 45 8.008 8.008 7.698 0.310 18015 5090 1 17 . 1 1 49 49 ARG N N 46 121.544 121.544 120.758 0.786 18015 5091 1 17 . 1 1 49 49 ARG HA H 46 3.934 3.934 3.979 -0.045 18015 5092 1 17 . 1 1 49 49 ARG CA C 46 60.608 60.608 59.981 0.627 18015 5093 1 17 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.231 0.338 18015 5094 1 17 . 1 1 49 49 ARG H H 46 9.432 9.432 7.866 1.566 18015 5095 1 17 . 1 1 50 50 VAL N N 47 120.747 120.747 118.385 2.362 18015 5096 1 17 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.893 -0.251 18015 5097 1 17 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.536 0.551 18015 5098 1 17 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.693 0.774 18015 5099 1 17 . 1 1 50 50 VAL H H 47 8.103 8.103 8.311 -0.208 18015 5100 1 17 . 1 1 51 51 TRP N N 48 122.857 122.857 122.386 0.471 18015 5101 1 17 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.330 0.553 18015 5102 1 17 . 1 1 51 51 TRP H H 48 8.430 8.430 7.805 0.625 18015 5103 1 17 . 1 1 52 52 PHE N N 49 118.314 118.314 118.047 0.267 18015 5104 1 17 . 1 1 52 52 PHE HA H 49 3.715 3.715 4.189 -0.474 18015 5105 1 17 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.353 1.255 18015 5106 1 17 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.055 0.401 18015 5107 1 17 . 1 1 52 52 PHE H H 49 9.045 9.045 8.520 0.525 18015 5108 1 17 . 1 1 53 53 LYS N N 50 121.307 121.307 118.763 2.544 18015 5109 1 17 . 1 1 53 53 LYS HA H 50 3.942 3.942 4.080 -0.138 18015 5110 1 17 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.414 1.253 18015 5111 1 17 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.967 1.246 18015 5112 1 17 . 1 1 53 53 LYS H H 50 7.915 7.915 7.737 0.178 18015 5113 1 17 . 1 1 54 54 ASN N N 51 119.377 119.377 119.409 -0.032 18015 5114 1 17 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.533 -0.027 18015 5115 1 17 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.825 0.343 18015 5116 1 17 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.345 -0.112 18015 5117 1 17 . 1 1 54 54 ASN H H 51 8.669 8.669 7.920 0.749 18015 5118 1 17 . 1 1 55 55 ARG N N 52 125.530 125.530 121.020 4.510 18015 5119 1 17 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.640 0.042 18015 5120 1 17 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.148 -1.573 18015 5121 1 17 . 1 1 55 55 ARG H H 52 8.851 8.851 8.106 0.745 18015 5122 1 17 . 1 1 56 56 ARG N N 53 120.194 120.194 117.817 2.377 18015 5123 1 17 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.233 0.066 18015 5124 1 17 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.842 2.421 18015 5125 1 17 . 1 1 56 56 ARG CB C 53 31.479 31.479 29.648 1.831 18015 5126 1 17 . 1 1 56 56 ARG H H 53 8.620 8.620 7.663 0.957 18015 5127 1 17 . 1 1 57 57 ALA N N 54 121.998 121.998 123.542 -1.544 18015 5128 1 17 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.116 0.224 18015 5129 1 17 . 1 1 57 57 ALA CA C 54 55.635 55.635 55.019 0.616 18015 5130 1 17 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.071 -0.581 18015 5131 1 17 . 1 1 57 57 ALA H H 54 7.386 7.386 7.633 -0.247 18015 5132 1 17 . 1 1 58 58 LYS N N 55 120.111 120.111 116.955 3.156 18015 5133 1 17 . 1 1 58 58 LYS HA H 55 4.066 4.066 4.041 0.025 18015 5134 1 17 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.302 1.322 18015 5135 1 17 . 1 1 58 58 LYS H H 55 7.716 7.716 8.098 -0.382 18015 5136 1 17 . 1 1 59 59 TRP N N 56 121.249 121.249 121.610 -0.361 18015 5137 1 17 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.434 0.137 18015 5138 1 17 . 1 1 59 59 TRP CA C 56 60.423 60.423 59.675 0.748 18015 5139 1 17 . 1 1 59 59 TRP CB C 56 29.651 29.651 30.448 -0.797 18015 5140 1 17 . 1 1 59 59 TRP H H 56 8.362 8.362 7.572 0.790 18015 5141 1 17 . 1 1 60 60 ARG N N 57 117.543 117.543 117.186 0.357 18015 5142 1 17 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.885 -0.007 18015 5143 1 17 . 1 1 60 60 ARG CA C 57 59.707 59.707 59.843 -0.136 18015 5144 1 17 . 1 1 60 60 ARG CB C 57 31.292 31.292 30.263 1.029 18015 5145 1 17 . 1 1 60 60 ARG H H 57 8.464 8.464 8.043 0.421 18015 5146 1 17 . 1 1 61 61 LYS N N 58 118.252 118.252 115.290 2.962 18015 5147 1 17 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.285 -0.077 18015 5148 1 17 . 1 1 61 61 LYS CA C 58 58.299 58.299 57.780 0.519 18015 5149 1 17 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.496 0.636 18015 5150 1 17 . 1 1 61 61 LYS H H 58 7.770 7.770 8.070 -0.300 18015 5151 1 17 . 1 1 62 62 ARG N N 59 116.854 116.854 118.564 -1.710 18015 5152 1 17 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.293 0.111 18015 5153 1 17 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.295 -1.078 18015 5154 1 17 . 1 1 62 62 ARG CB C 59 31.201 31.201 32.003 -0.802 18015 5155 1 17 . 1 1 62 62 ARG H H 59 7.978 7.978 7.661 0.317 18015 5156 1 17 . 1 1 63 63 GLU N N 60 119.450 119.450 117.753 1.697 18015 5157 1 17 . 1 1 63 63 GLU HA H 60 3.983 3.983 3.036 0.947 18015 5158 1 17 . 1 1 63 63 GLU CA C 60 56.923 56.923 55.178 1.745 18015 5159 1 17 . 1 1 63 63 GLU CB C 60 30.001 30.001 29.138 0.863 18015 5160 1 17 . 1 1 63 63 GLU H H 60 8.078 8.078 7.943 0.135 18015 5161 1 17 . 1 1 64 64 GLU N N 61 120.134 120.134 120.513 -0.379 18015 5162 1 17 . 1 1 64 64 GLU HA H 61 3.774 3.774 4.105 -0.331 18015 5163 1 17 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.563 -1.113 18015 5164 1 17 . 1 1 64 64 GLU CB C 61 29.897 29.897 28.062 1.835 18015 5165 1 17 . 1 1 64 64 GLU H H 61 7.889 7.889 8.132 -0.243 18015 5166 1 17 . 1 1 65 65 PHE N N 62 118.794 118.794 116.083 2.711 18015 5167 1 17 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.423 0.155 18015 5168 1 17 . 1 1 65 65 PHE CA C 62 56.961 56.961 59.148 -2.187 18015 5169 1 17 . 1 1 65 65 PHE CB C 62 39.297 39.297 39.171 0.126 18015 5170 1 17 . 1 1 65 65 PHE H H 62 7.731 7.731 7.685 0.046 18015 5171 1 17 . 1 1 66 66 ILE N N 63 123.529 123.529 119.843 3.686 18015 5172 1 17 . 1 1 66 66 ILE HA H 63 4.130 4.130 4.462 -0.332 18015 5173 1 17 . 1 1 66 66 ILE CA C 63 60.934 60.934 59.088 1.846 18015 5174 1 17 . 1 1 66 66 ILE CB C 63 38.543 38.543 40.124 -1.581 18015 5175 1 17 . 1 1 66 66 ILE H H 63 7.802 7.802 7.004 0.798 18015 5176 1 17 . 1 1 67 67 VAL N N 64 125.799 125.799 123.860 1.939 18015 5177 1 17 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.613 -0.416 18015 5178 1 17 . 1 1 67 67 VAL CA C 64 62.225 62.225 60.705 1.520 18015 5179 1 17 . 1 1 67 67 VAL CB C 64 32.811 32.811 34.819 -2.008 18015 5180 1 17 . 1 1 67 67 VAL H H 64 8.292 8.292 8.237 0.055 18015 5181 1 17 . 1 1 68 68 THR N N 65 118.825 118.825 121.821 -2.996 18015 5182 1 17 . 1 1 68 68 THR HA H 65 4.440 4.440 4.513 -0.073 18015 5183 1 17 . 1 1 68 68 THR CA C 65 61.236 61.236 63.781 -2.545 18015 5184 1 17 . 1 1 68 68 THR CB C 65 70.114 70.114 69.198 0.916 18015 5185 1 17 . 1 1 68 68 THR H H 65 8.353 8.353 8.411 -0.058 18015 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 63 2.874 -0.800 2.782 18015 2 1 1 "Average Difference" HA 64 0.264 0.027 0.264 18015 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18015 4 1 1 "Average Difference" CA 59 1.015 -0.361 0.956 18015 5 1 1 "Average Difference" CB 56 1.248 -0.023 1.259 18015 6 1 1 "Average Difference" HN 63 0.503 -0.124 0.491 18015 7 1 2 "Average Difference" N 63 2.572 -0.541 2.535 18015 8 1 2 "Average Difference" HA 64 0.252 0.070 0.244 18015 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18015 10 1 2 "Average Difference" CA 59 1.246 -0.515 1.144 18015 11 1 2 "Average Difference" CB 56 1.234 -0.012 1.245 18015 12 1 2 "Average Difference" HN 63 0.475 -0.147 0.455 18015 13 1 3 "Average Difference" N 63 2.665 -0.821 2.556 18015 14 1 3 "Average Difference" HA 64 0.258 0.073 0.249 18015 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18015 16 1 3 "Average Difference" CA 59 1.095 -0.512 0.976 18015 17 1 3 "Average Difference" CB 56 1.247 0.040 1.258 18015 18 1 3 "Average Difference" HN 63 0.522 -0.194 0.489 18015 19 1 4 "Average Difference" N 63 2.973 -0.620 2.931 18015 20 1 4 "Average Difference" HA 64 0.344 0.010 0.347 18015 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18015 22 1 4 "Average Difference" CA 59 1.134 -0.372 1.081 18015 23 1 4 "Average Difference" CB 56 1.289 -0.090 1.298 18015 24 1 4 "Average Difference" HN 63 0.577 -0.250 0.524 18015 25 1 5 "Average Difference" N 63 2.718 -0.402 2.710 18015 26 1 5 "Average Difference" HA 64 0.286 0.050 0.284 18015 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18015 28 1 5 "Average Difference" CA 59 1.009 -0.366 0.949 18015 29 1 5 "Average Difference" CB 56 1.274 0.041 1.285 18015 30 1 5 "Average Difference" HN 63 0.582 -0.202 0.550 18015 31 1 6 "Average Difference" N 63 2.615 -0.627 2.559 18015 32 1 6 "Average Difference" HA 64 0.246 0.033 0.245 18015 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18015 34 1 6 "Average Difference" CA 59 1.007 -0.464 0.901 18015 35 1 6 "Average Difference" CB 56 1.181 -0.100 1.188 18015 36 1 6 "Average Difference" HN 63 0.502 -0.171 0.476 18015 37 1 7 "Average Difference" N 63 2.819 -0.685 2.756 18015 38 1 7 "Average Difference" HA 64 0.278 0.045 0.276 18015 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18015 40 1 7 "Average Difference" CA 59 0.997 -0.485 0.878 18015 41 1 7 "Average Difference" CB 56 1.173 -0.041 1.183 18015 42 1 7 "Average Difference" HN 63 0.528 -0.180 0.501 18015 43 1 8 "Average Difference" N 63 2.723 -0.731 2.644 18015 44 1 8 "Average Difference" HA 64 0.267 0.078 0.257 18015 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18015 46 1 8 "Average Difference" CA 59 1.071 -0.490 0.960 18015 47 1 8 "Average Difference" CB 56 1.206 0.017 1.217 18015 48 1 8 "Average Difference" HN 63 0.508 -0.126 0.496 18015 49 1 9 "Average Difference" N 63 2.404 -0.305 2.404 18015 50 1 9 "Average Difference" HA 64 0.243 0.012 0.244 18015 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18015 52 1 9 "Average Difference" CA 59 1.046 -0.535 0.907 18015 53 1 9 "Average Difference" CB 56 1.226 -0.008 1.237 18015 54 1 9 "Average Difference" HN 63 0.533 -0.212 0.493 18015 55 1 10 "Average Difference" N 63 3.046 -0.925 2.925 18015 56 1 10 "Average Difference" HA 64 0.328 0.025 0.329 18015 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18015 58 1 10 "Average Difference" CA 59 1.059 -0.474 0.955 18015 59 1 10 "Average Difference" CB 56 1.191 -0.020 1.202 18015 60 1 10 "Average Difference" HN 63 0.568 -0.230 0.524 18015 61 1 11 "Average Difference" N 63 2.576 -0.663 2.509 18015 62 1 11 "Average Difference" HA 64 0.259 0.027 0.259 18015 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18015 64 1 11 "Average Difference" CA 59 1.045 -0.432 0.960 18015 65 1 11 "Average Difference" CB 56 1.331 -0.014 1.343 18015 66 1 11 "Average Difference" HN 63 0.568 -0.237 0.520 18015 67 1 12 "Average Difference" N 63 2.975 -0.947 2.843 18015 68 1 12 "Average Difference" HA 64 0.386 0.033 0.388 18015 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18015 70 1 12 "Average Difference" CA 59 1.069 -0.429 0.988 18015 71 1 12 "Average Difference" CB 56 1.422 -0.191 1.422 18015 72 1 12 "Average Difference" HN 63 0.488 -0.227 0.436 18015 73 1 13 "Average Difference" N 63 2.709 -0.645 2.652 18015 74 1 13 "Average Difference" HA 64 0.258 0.013 0.260 18015 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18015 76 1 13 "Average Difference" CA 59 1.021 -0.334 0.973 18015 77 1 13 "Average Difference" CB 56 1.237 0.006 1.248 18015 78 1 13 "Average Difference" HN 63 0.481 -0.084 0.477 18015 79 1 14 "Average Difference" N 63 2.519 -0.539 2.480 18015 80 1 14 "Average Difference" HA 64 0.221 0.016 0.222 18015 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18015 82 1 14 "Average Difference" CA 59 0.948 -0.368 0.881 18015 83 1 14 "Average Difference" CB 56 1.215 -0.012 1.226 18015 84 1 14 "Average Difference" HN 63 0.516 -0.173 0.490 18015 85 1 15 "Average Difference" N 63 2.553 -0.506 2.522 18015 86 1 15 "Average Difference" HA 64 0.288 0.071 0.282 18015 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18015 88 1 15 "Average Difference" CA 59 1.108 -0.433 1.028 18015 89 1 15 "Average Difference" CB 56 1.218 0.040 1.228 18015 90 1 15 "Average Difference" HN 63 0.499 -0.140 0.483 18015 91 1 16 "Average Difference" N 63 2.694 -0.751 2.608 18015 92 1 16 "Average Difference" HA 64 0.286 0.061 0.281 18015 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18015 94 1 16 "Average Difference" CA 59 1.168 -0.360 1.121 18015 95 1 16 "Average Difference" CB 56 1.215 0.061 1.225 18015 96 1 16 "Average Difference" HN 63 0.590 -0.197 0.560 18015 97 1 17 "Average Difference" N 63 2.631 -0.540 2.596 18015 98 1 17 "Average Difference" HA 64 0.266 0.014 0.268 18015 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18015 100 1 17 "Average Difference" CA 59 1.216 -0.533 1.103 18015 101 1 17 "Average Difference" CB 56 1.281 -0.050 1.292 18015 102 1 17 "Average Difference" HN 63 0.498 -0.238 0.441 18015 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 18015 _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 5 5 ARG N N 2 123.855 123.855 121.197 2.658 18015 2 1 . 1 1 5 5 ARG HA H 2 4.475 4.475 4.512 -0.037 18015 3 1 . 1 1 5 5 ARG CA C 2 55.904 55.904 55.885 0.019 18015 4 1 . 1 1 5 5 ARG H H 2 8.472 8.472 8.317 0.155 18015 5 1 . 1 1 6 6 ARG N N 3 125.147 125.147 121.621 3.526 18015 6 1 . 1 1 6 6 ARG HA H 3 4.284 4.284 4.471 -0.187 18015 7 1 . 1 1 6 6 ARG CA C 3 56.385 56.385 55.899 0.486 18015 8 1 . 1 1 6 6 ARG H H 3 9.078 9.078 8.495 0.583 18015 9 1 . 1 1 7 7 GLN N N 4 122.134 122.134 120.838 1.296 18015 10 1 . 1 1 7 7 GLN HA H 4 4.301 4.301 4.438 -0.137 18015 11 1 . 1 1 7 7 GLN CA C 4 55.571 55.571 55.635 -0.064 18015 12 1 . 1 1 7 7 GLN CB C 4 29.550 29.550 30.039 -0.489 18015 13 1 . 1 1 7 7 GLN H H 4 8.475 8.475 8.475 -0.000 18015 14 1 . 1 1 8 8 ARG N N 5 124.132 124.132 120.413 3.719 18015 15 1 . 1 1 8 8 ARG HA H 5 4.285 4.285 4.406 -0.121 18015 16 1 . 1 1 8 8 ARG H H 5 8.631 8.631 8.396 0.235 18015 17 1 . 1 1 9 9 THR N N 6 125.523 125.523 115.811 9.712 18015 18 1 . 1 1 9 9 THR HA H 6 3.831 3.831 4.072 -0.241 18015 19 1 . 1 1 9 9 THR CA C 6 64.978 64.978 62.397 2.581 18015 20 1 . 1 1 9 9 THR CB C 6 69.109 69.109 69.138 -0.029 18015 21 1 . 1 1 9 9 THR H H 6 8.036 8.036 8.234 -0.198 18015 22 1 . 1 1 10 10 HIS N N 7 125.571 125.571 121.772 3.799 18015 23 1 . 1 1 10 10 HIS HA H 7 4.761 4.761 4.569 0.192 18015 24 1 . 1 1 10 10 HIS CB C 7 28.769 28.769 29.803 -1.033 18015 25 1 . 1 1 10 10 HIS H H 7 8.690 8.690 8.050 0.640 18015 26 1 . 1 1 11 11 PHE N N 8 126.330 126.330 121.088 5.242 18015 27 1 . 1 1 11 11 PHE HA H 8 4.834 4.834 4.915 -0.082 18015 28 1 . 1 1 11 11 PHE CB C 8 40.533 40.533 40.553 -0.020 18015 29 1 . 1 1 11 11 PHE H H 8 8.703 8.703 7.887 0.816 18015 30 1 . 1 1 12 12 THR N N 9 113.642 113.642 114.224 -0.582 18015 31 1 . 1 1 12 12 THR HA H 9 4.542 4.542 4.678 -0.136 18015 32 1 . 1 1 12 12 THR CA C 9 60.379 60.379 60.528 -0.149 18015 33 1 . 1 1 12 12 THR H H 9 9.165 9.165 8.797 0.368 18015 34 1 . 1 1 13 13 SER N N 10 116.602 116.602 118.092 -1.490 18015 35 1 . 1 1 13 13 SER HA H 10 4.187 4.187 4.081 0.106 18015 36 1 . 1 1 13 13 SER CA C 10 61.887 61.887 61.862 0.025 18015 37 1 . 1 1 13 13 SER CB C 10 62.286 62.286 62.873 -0.587 18015 38 1 . 1 1 13 13 SER H H 10 9.188 9.188 8.870 0.318 18015 39 1 . 1 1 14 14 GLN N N 11 120.969 120.969 120.409 0.560 18015 40 1 . 1 1 14 14 GLN HA H 11 4.053 4.053 4.106 -0.053 18015 41 1 . 1 1 14 14 GLN CA C 11 59.578 59.578 58.300 1.277 18015 42 1 . 1 1 14 14 GLN CB C 11 27.914 27.914 28.165 -0.251 18015 43 1 . 1 1 14 14 GLN H H 11 8.415 8.415 8.434 -0.019 18015 44 1 . 1 1 15 15 GLN N N 12 119.255 119.255 118.487 0.768 18015 45 1 . 1 1 15 15 GLN HA H 12 3.833 3.833 4.044 -0.211 18015 46 1 . 1 1 15 15 GLN CA C 12 59.436 59.436 58.348 1.088 18015 47 1 . 1 1 15 15 GLN CB C 12 27.965 27.965 29.031 -1.066 18015 48 1 . 1 1 15 15 GLN H H 12 7.799 7.799 7.584 0.215 18015 49 1 . 1 1 16 16 LEU N N 13 117.041 117.041 120.542 -3.501 18015 50 1 . 1 1 16 16 LEU HA H 13 3.616 3.616 3.646 -0.030 18015 51 1 . 1 1 16 16 LEU CA C 13 57.893 57.893 57.591 0.302 18015 52 1 . 1 1 16 16 LEU CB C 13 41.606 41.606 41.378 0.228 18015 53 1 . 1 1 16 16 LEU H H 13 8.299 8.299 8.271 0.028 18015 54 1 . 1 1 17 17 GLN N N 14 118.025 118.025 117.195 0.830 18015 55 1 . 1 1 17 17 GLN HA H 14 3.992 3.992 4.114 -0.122 18015 56 1 . 1 1 17 17 GLN CA C 14 59.157 59.157 58.396 0.761 18015 57 1 . 1 1 17 17 GLN CB C 14 28.507 28.507 28.124 0.383 18015 58 1 . 1 1 17 17 GLN H H 14 8.160 8.160 8.133 0.027 18015 59 1 . 1 1 18 18 GLU N N 15 119.789 119.789 119.204 0.585 18015 60 1 . 1 1 18 18 GLU HA H 15 4.181 4.181 4.307 -0.126 18015 61 1 . 1 1 18 18 GLU CA C 15 58.538 58.538 57.704 0.834 18015 62 1 . 1 1 18 18 GLU CB C 15 29.450 29.450 29.938 -0.488 18015 63 1 . 1 1 18 18 GLU H H 15 7.582 7.582 7.709 -0.127 18015 64 1 . 1 1 19 19 LEU N N 16 123.483 123.483 120.582 2.901 18015 65 1 . 1 1 19 19 LEU HA H 16 3.513 3.513 3.879 -0.366 18015 66 1 . 1 1 19 19 LEU CA C 16 58.570 58.570 58.289 0.281 18015 67 1 . 1 1 19 19 LEU CB C 16 37.866 37.866 41.013 -3.147 18015 68 1 . 1 1 19 19 LEU H H 16 8.313 8.313 7.499 0.814 18015 69 1 . 1 1 20 20 GLU N N 17 119.146 119.146 119.105 0.041 18015 70 1 . 1 1 20 20 GLU HA H 17 4.405 4.405 4.155 0.250 18015 71 1 . 1 1 20 20 GLU CA C 17 58.930 58.930 59.569 -0.638 18015 72 1 . 1 1 20 20 GLU H H 17 8.257 8.257 8.508 -0.251 18015 73 1 . 1 1 21 21 ALA N N 18 120.611 120.611 121.819 -1.208 18015 74 1 . 1 1 21 21 ALA HA H 18 4.180 4.180 4.189 -0.009 18015 75 1 . 1 1 21 21 ALA CA C 18 55.184 55.184 54.773 0.411 18015 76 1 . 1 1 21 21 ALA CB C 18 18.014 18.014 18.159 -0.145 18015 77 1 . 1 1 21 21 ALA H H 18 7.954 7.954 7.923 0.031 18015 78 1 . 1 1 22 22 THR N N 19 113.517 113.517 115.445 -1.928 18015 79 1 . 1 1 22 22 THR HA H 19 4.103 4.103 4.205 -0.102 18015 80 1 . 1 1 22 22 THR CA C 19 66.956 66.956 66.358 0.598 18015 81 1 . 1 1 22 22 THR CB C 19 68.338 68.338 69.234 -0.896 18015 82 1 . 1 1 22 22 THR H H 19 7.940 7.940 7.627 0.313 18015 83 1 . 1 1 23 23 PHE N N 20 125.431 125.431 122.428 3.003 18015 84 1 . 1 1 23 23 PHE HA H 20 4.373 4.373 4.730 -0.357 18015 85 1 . 1 1 23 23 PHE CA C 20 61.742 61.742 60.652 1.090 18015 86 1 . 1 1 23 23 PHE H H 20 8.839 8.839 8.564 0.275 18015 87 1 . 1 1 24 24 GLN N N 21 112.304 112.304 116.873 -4.569 18015 88 1 . 1 1 24 24 GLN HA H 21 3.806 3.806 4.108 -0.302 18015 89 1 . 1 1 24 24 GLN CA C 21 57.406 57.406 57.611 -0.205 18015 90 1 . 1 1 24 24 GLN CB C 21 28.151 28.151 28.827 -0.676 18015 91 1 . 1 1 24 24 GLN H H 21 7.921 7.921 8.188 -0.267 18015 92 1 . 1 1 25 25 ARG N N 22 116.707 116.707 116.102 0.605 18015 93 1 . 1 1 25 25 ARG HA H 22 4.364 4.364 4.482 -0.118 18015 94 1 . 1 1 25 25 ARG CA C 22 57.145 57.145 56.182 0.963 18015 95 1 . 1 1 25 25 ARG CB C 22 31.565 31.565 32.362 -0.797 18015 96 1 . 1 1 25 25 ARG H H 22 7.408 7.408 7.922 -0.514 18015 97 1 . 1 1 26 26 ASN N N 23 119.274 119.274 119.253 0.021 18015 98 1 . 1 1 26 26 ASN HA H 23 4.483 4.483 4.863 -0.380 18015 99 1 . 1 1 26 26 ASN CA C 23 52.834 52.834 52.711 0.123 18015 100 1 . 1 1 26 26 ASN CB C 23 38.563 38.563 40.169 -1.606 18015 101 1 . 1 1 26 26 ASN H H 23 8.251 8.251 8.381 -0.130 18015 102 1 . 1 1 27 27 ARG N N 24 121.408 121.408 123.333 -1.925 18015 103 1 . 1 1 27 27 ARG HA H 24 3.800 3.800 4.138 -0.338 18015 104 1 . 1 1 27 27 ARG CA C 24 57.646 57.646 57.104 0.542 18015 105 1 . 1 1 27 27 ARG CB C 24 31.003 31.003 30.122 0.881 18015 106 1 . 1 1 27 27 ARG H H 24 8.400 8.400 8.562 -0.162 18015 107 1 . 1 1 28 28 TYR N N 25 113.992 113.992 118.574 -4.582 18015 108 1 . 1 1 28 28 TYR HA H 25 4.658 4.658 4.866 -0.208 18015 109 1 . 1 1 28 28 TYR CA C 25 55.691 55.691 54.902 0.789 18015 110 1 . 1 1 28 28 TYR CB C 25 39.135 39.135 37.997 1.138 18015 111 1 . 1 1 28 28 TYR H H 25 7.734 7.734 8.016 -0.282 18015 112 1 . 1 1 29 29 PRO HA H 26 4.411 4.411 4.369 0.042 18015 113 1 . 1 1 29 29 PRO CA C 26 62.665 62.665 62.632 0.033 18015 114 1 . 1 1 29 29 PRO CB C 26 31.053 31.053 32.201 -1.148 18015 115 1 . 1 1 30 30 ASP N N 27 124.189 124.189 122.402 1.787 18015 116 1 . 1 1 30 30 ASP HA H 27 4.494 4.494 4.608 -0.114 18015 117 1 . 1 1 30 30 ASP CA C 27 52.530 52.530 53.623 -1.092 18015 118 1 . 1 1 30 30 ASP CB C 27 40.573 40.573 42.997 -2.424 18015 119 1 . 1 1 30 30 ASP H H 27 8.467 8.467 8.337 0.130 18015 120 1 . 1 1 31 31 MET N N 28 119.367 119.367 120.656 -1.289 18015 121 1 . 1 1 31 31 MET HA H 28 3.861 3.861 4.075 -0.214 18015 122 1 . 1 1 31 31 MET CA C 28 60.361 60.361 58.611 1.750 18015 123 1 . 1 1 31 31 MET CB C 28 32.022 32.022 32.178 -0.156 18015 124 1 . 1 1 31 31 MET H H 28 8.687 8.687 8.525 0.162 18015 125 1 . 1 1 32 32 SER N N 29 113.279 113.279 114.203 -0.924 18015 126 1 . 1 1 32 32 SER HA H 29 4.245 4.245 4.332 -0.087 18015 127 1 . 1 1 32 32 SER CA C 29 61.815 61.815 60.640 1.175 18015 128 1 . 1 1 32 32 SER CB C 29 62.447 62.447 62.908 -0.462 18015 129 1 . 1 1 32 32 SER H H 29 8.387 8.387 8.471 -0.084 18015 130 1 . 1 1 33 33 THR N N 30 120.829 120.829 119.064 1.765 18015 131 1 . 1 1 33 33 THR HA H 30 4.004 4.004 4.294 -0.290 18015 132 1 . 1 1 33 33 THR CA C 30 66.957 66.957 65.794 1.163 18015 133 1 . 1 1 33 33 THR CB C 30 67.626 67.626 69.033 -1.407 18015 134 1 . 1 1 33 33 THR H H 30 8.406 8.406 7.804 0.602 18015 135 1 . 1 1 34 34 ARG N N 31 120.944 120.944 121.269 -0.325 18015 136 1 . 1 1 34 34 ARG HA H 31 3.870 3.870 3.925 -0.055 18015 137 1 . 1 1 34 34 ARG CA C 31 61.158 61.158 59.854 1.304 18015 138 1 . 1 1 34 34 ARG CB C 31 32.455 32.455 30.176 2.279 18015 139 1 . 1 1 34 34 ARG H H 31 8.955 8.955 8.568 0.387 18015 140 1 . 1 1 35 35 GLU N N 32 118.711 118.711 118.868 -0.157 18015 141 1 . 1 1 35 35 GLU HA H 32 3.993 3.993 4.011 -0.018 18015 142 1 . 1 1 35 35 GLU CA C 32 59.831 59.831 59.075 0.756 18015 143 1 . 1 1 35 35 GLU CB C 32 29.233 29.233 28.910 0.323 18015 144 1 . 1 1 35 35 GLU H H 32 8.608 8.608 8.162 0.446 18015 145 1 . 1 1 36 36 GLU N N 33 121.133 121.133 120.222 0.911 18015 146 1 . 1 1 36 36 GLU HA H 33 3.997 3.997 3.592 0.405 18015 147 1 . 1 1 36 36 GLU CA C 33 59.692 59.692 58.554 1.138 18015 148 1 . 1 1 36 36 GLU CB C 33 29.352 29.352 29.388 -0.036 18015 149 1 . 1 1 36 36 GLU H H 33 7.639 7.639 7.518 0.121 18015 150 1 . 1 1 37 37 ILE N N 34 119.761 119.761 119.956 -0.195 18015 151 1 . 1 1 37 37 ILE HA H 34 3.631 3.631 3.584 0.047 18015 152 1 . 1 1 37 37 ILE CA C 34 64.728 64.728 65.391 -0.663 18015 153 1 . 1 1 37 37 ILE CB C 34 38.531 38.531 37.683 0.848 18015 154 1 . 1 1 37 37 ILE H H 34 8.415 8.415 7.989 0.426 18015 155 1 . 1 1 38 38 ALA N N 35 124.272 124.272 122.098 2.174 18015 156 1 . 1 1 38 38 ALA HA H 35 3.681 3.681 4.158 -0.477 18015 157 1 . 1 1 38 38 ALA CA C 35 55.709 55.709 54.577 1.132 18015 158 1 . 1 1 38 38 ALA CB C 35 16.951 16.951 18.387 -1.436 18015 159 1 . 1 1 38 38 ALA H H 35 8.551 8.551 7.780 0.771 18015 160 1 . 1 1 39 39 VAL N N 36 118.330 118.330 118.407 -0.077 18015 161 1 . 1 1 39 39 VAL HA H 36 3.818 3.818 3.645 0.173 18015 162 1 . 1 1 39 39 VAL CA C 36 66.484 66.484 66.400 0.084 18015 163 1 . 1 1 39 39 VAL CB C 36 31.585 31.585 31.224 0.361 18015 164 1 . 1 1 39 39 VAL H H 36 7.791 7.791 7.235 0.556 18015 165 1 . 1 1 40 40 TRP N N 37 120.237 120.237 120.475 -0.238 18015 166 1 . 1 1 40 40 TRP HA H 37 4.631 4.631 4.397 0.234 18015 167 1 . 1 1 40 40 TRP CA C 37 59.100 59.100 58.867 0.233 18015 168 1 . 1 1 40 40 TRP CB C 37 29.815 29.815 29.483 0.332 18015 169 1 . 1 1 40 40 TRP H H 37 8.109 8.109 7.605 0.504 18015 170 1 . 1 1 41 41 THR N N 38 104.809 104.809 107.141 -2.332 18015 171 1 . 1 1 41 41 THR HA H 38 4.374 4.374 4.406 -0.032 18015 172 1 . 1 1 41 41 THR CA C 38 61.723 61.723 61.586 0.137 18015 173 1 . 1 1 41 41 THR CB C 38 71.088 71.088 69.915 1.173 18015 174 1 . 1 1 41 41 THR H H 38 8.011 8.011 7.847 0.164 18015 175 1 . 1 1 42 42 ASN N N 39 118.978 118.978 118.608 0.370 18015 176 1 . 1 1 42 42 ASN HA H 39 4.534 4.534 4.394 0.140 18015 177 1 . 1 1 42 42 ASN CA C 39 54.907 54.907 54.305 0.602 18015 178 1 . 1 1 42 42 ASN CB C 39 37.285 37.285 37.553 -0.268 18015 179 1 . 1 1 42 42 ASN H H 39 7.925 7.925 7.897 0.028 18015 180 1 . 1 1 43 43 LEU N N 40 120.124 120.124 118.493 1.631 18015 181 1 . 1 1 43 43 LEU HA H 40 5.045 5.045 4.580 0.465 18015 182 1 . 1 1 43 43 LEU CA C 40 53.068 53.068 54.563 -1.495 18015 183 1 . 1 1 43 43 LEU CB C 40 47.111 47.111 43.516 3.595 18015 184 1 . 1 1 43 43 LEU H H 40 8.635 8.635 7.858 0.777 18015 185 1 . 1 1 44 44 THR N N 41 106.690 106.690 108.519 -1.829 18015 186 1 . 1 1 44 44 THR HA H 41 4.715 4.715 4.561 0.154 18015 187 1 . 1 1 44 44 THR CA C 41 59.511 59.511 59.575 -0.064 18015 188 1 . 1 1 44 44 THR CB C 41 71.419 71.419 71.083 0.336 18015 189 1 . 1 1 44 44 THR H H 41 7.081 7.081 7.908 -0.827 18015 190 1 . 1 1 45 45 GLU N N 42 124.087 124.087 123.389 0.698 18015 191 1 . 1 1 45 45 GLU HA H 42 3.630 3.630 3.928 -0.298 18015 192 1 . 1 1 45 45 GLU CA C 42 61.533 61.533 60.290 1.243 18015 193 1 . 1 1 45 45 GLU CB C 42 28.416 28.416 29.376 -0.960 18015 194 1 . 1 1 45 45 GLU H H 42 9.452 9.452 8.951 0.501 18015 195 1 . 1 1 46 46 ALA N N 43 119.687 119.687 121.323 -1.636 18015 196 1 . 1 1 46 46 ALA HA H 43 4.010 4.010 4.170 -0.160 18015 197 1 . 1 1 46 46 ALA CA C 43 55.619 55.619 54.947 0.672 18015 198 1 . 1 1 46 46 ALA CB C 43 18.599 18.599 18.158 0.441 18015 199 1 . 1 1 46 46 ALA H H 43 8.467 8.467 8.381 0.086 18015 200 1 . 1 1 47 47 ARG N N 44 116.856 116.856 118.412 -1.556 18015 201 1 . 1 1 47 47 ARG HA H 44 4.313 4.313 4.241 0.072 18015 202 1 . 1 1 47 47 ARG CA C 44 59.034 59.034 57.963 1.071 18015 203 1 . 1 1 47 47 ARG CB C 44 31.485 31.485 29.632 1.853 18015 204 1 . 1 1 47 47 ARG H H 44 7.657 7.657 7.796 -0.139 18015 205 1 . 1 1 48 48 VAL N N 45 120.046 120.046 120.816 -0.770 18015 206 1 . 1 1 48 48 VAL HA H 45 3.764 3.764 3.795 -0.031 18015 207 1 . 1 1 48 48 VAL CA C 45 67.308 67.308 66.574 0.734 18015 208 1 . 1 1 48 48 VAL CB C 45 32.535 32.535 31.230 1.305 18015 209 1 . 1 1 48 48 VAL H H 45 8.008 8.008 7.916 0.092 18015 210 1 . 1 1 49 49 ARG N N 46 121.544 121.544 120.296 1.248 18015 211 1 . 1 1 49 49 ARG HA H 46 3.934 3.934 4.031 -0.097 18015 212 1 . 1 1 49 49 ARG CA C 46 60.608 60.608 60.062 0.546 18015 213 1 . 1 1 49 49 ARG CB C 46 30.569 30.569 30.258 0.311 18015 214 1 . 1 1 49 49 ARG H H 46 9.432 9.432 8.173 1.259 18015 215 1 . 1 1 50 50 VAL N N 47 120.747 120.747 118.688 2.059 18015 216 1 . 1 1 50 50 VAL HA H 47 3.642 3.642 3.808 -0.166 18015 217 1 . 1 1 50 50 VAL CA C 47 67.087 67.087 66.561 0.526 18015 218 1 . 1 1 50 50 VAL CB C 47 32.467 32.467 31.471 0.996 18015 219 1 . 1 1 50 50 VAL H H 47 8.103 8.103 8.229 -0.126 18015 220 1 . 1 1 51 51 TRP N N 48 122.857 122.857 122.248 0.609 18015 221 1 . 1 1 51 51 TRP HA H 48 4.883 4.883 4.181 0.702 18015 222 1 . 1 1 51 51 TRP H H 48 8.430 8.430 8.094 0.336 18015 223 1 . 1 1 52 52 PHE N N 49 118.314 118.314 118.568 -0.254 18015 224 1 . 1 1 52 52 PHE HA H 49 3.715 3.715 3.986 -0.271 18015 225 1 . 1 1 52 52 PHE CA C 49 63.608 63.608 62.542 1.066 18015 226 1 . 1 1 52 52 PHE CB C 49 39.456 39.456 39.227 0.229 18015 227 1 . 1 1 52 52 PHE H H 49 9.045 9.045 8.646 0.399 18015 228 1 . 1 1 53 53 LYS N N 50 121.307 121.307 119.113 2.194 18015 229 1 . 1 1 53 53 LYS HA H 50 3.942 3.942 3.937 0.005 18015 230 1 . 1 1 53 53 LYS CA C 50 60.667 60.667 59.907 0.760 18015 231 1 . 1 1 53 53 LYS CB C 50 33.213 33.213 31.984 1.229 18015 232 1 . 1 1 53 53 LYS H H 50 7.915 7.915 8.448 -0.533 18015 233 1 . 1 1 54 54 ASN N N 51 119.377 119.377 119.086 0.291 18015 234 1 . 1 1 54 54 ASN HA H 51 4.506 4.506 4.452 0.054 18015 235 1 . 1 1 54 54 ASN CA C 51 56.168 56.168 55.778 0.390 18015 236 1 . 1 1 54 54 ASN CB C 51 38.233 38.233 38.104 0.129 18015 237 1 . 1 1 54 54 ASN H H 51 8.669 8.669 8.189 0.480 18015 238 1 . 1 1 55 55 ARG N N 52 125.530 125.530 120.502 5.028 18015 239 1 . 1 1 55 55 ARG HA H 52 3.682 3.682 3.658 0.024 18015 240 1 . 1 1 55 55 ARG CB C 52 27.575 27.575 29.054 -1.479 18015 241 1 . 1 1 55 55 ARG H H 52 8.851 8.851 7.779 1.072 18015 242 1 . 1 1 56 56 ARG N N 53 120.194 120.194 118.706 1.488 18015 243 1 . 1 1 56 56 ARG HA H 53 4.299 4.299 4.190 0.109 18015 244 1 . 1 1 56 56 ARG CA C 53 61.263 61.263 58.748 2.515 18015 245 1 . 1 1 56 56 ARG CB C 53 31.479 31.479 30.020 1.459 18015 246 1 . 1 1 56 56 ARG H H 53 8.620 8.620 7.764 0.856 18015 247 1 . 1 1 57 57 ALA N N 54 121.998 121.998 122.463 -0.465 18015 248 1 . 1 1 57 57 ALA HA H 54 4.340 4.340 4.045 0.295 18015 249 1 . 1 1 57 57 ALA CA C 54 55.635 55.635 54.794 0.841 18015 250 1 . 1 1 57 57 ALA CB C 54 17.490 17.490 18.068 -0.578 18015 251 1 . 1 1 57 57 ALA H H 54 7.386 7.386 8.293 -0.907 18015 252 1 . 1 1 58 58 LYS N N 55 120.111 120.111 118.872 1.239 18015 253 1 . 1 1 58 58 LYS HA H 55 4.066 4.066 3.984 0.082 18015 254 1 . 1 1 58 58 LYS CA C 55 59.624 59.624 58.928 0.696 18015 255 1 . 1 1 58 58 LYS H H 55 7.716 7.716 7.919 -0.203 18015 256 1 . 1 1 59 59 TRP N N 56 121.249 121.249 120.250 0.999 18015 257 1 . 1 1 59 59 TRP HA H 56 4.571 4.571 4.377 0.194 18015 258 1 . 1 1 59 59 TRP CA C 56 60.423 60.423 60.178 0.245 18015 259 1 . 1 1 59 59 TRP CB C 56 29.651 29.651 29.244 0.407 18015 260 1 . 1 1 59 59 TRP H H 56 8.362 8.362 7.811 0.551 18015 261 1 . 1 1 60 60 ARG N N 57 117.543 117.543 118.332 -0.789 18015 262 1 . 1 1 60 60 ARG HA H 57 3.878 3.878 3.982 -0.104 18015 263 1 . 1 1 60 60 ARG CA C 57 59.707 59.707 58.332 1.375 18015 264 1 . 1 1 60 60 ARG CB C 57 31.292 31.292 29.853 1.439 18015 265 1 . 1 1 60 60 ARG H H 57 8.464 8.464 7.712 0.752 18015 266 1 . 1 1 61 61 LYS N N 58 118.252 118.252 118.699 -0.447 18015 267 1 . 1 1 61 61 LYS HA H 58 4.208 4.208 4.167 0.041 18015 268 1 . 1 1 61 61 LYS CA C 58 58.299 58.299 58.520 -0.221 18015 269 1 . 1 1 61 61 LYS CB C 58 33.132 33.132 32.368 0.764 18015 270 1 . 1 1 61 61 LYS H H 58 7.770 7.770 8.243 -0.473 18015 271 1 . 1 1 62 62 ARG N N 59 116.854 116.854 118.288 -1.434 18015 272 1 . 1 1 62 62 ARG HA H 59 4.403 4.403 4.307 0.096 18015 273 1 . 1 1 62 62 ARG CA C 59 56.217 56.217 57.486 -1.269 18015 274 1 . 1 1 62 62 ARG CB C 59 31.201 31.201 31.480 -0.279 18015 275 1 . 1 1 62 62 ARG H H 59 7.978 7.978 7.863 0.115 18015 276 1 . 1 1 63 63 GLU N N 60 119.450 119.450 116.690 2.760 18015 277 1 . 1 1 63 63 GLU HA H 60 3.983 3.983 4.288 -0.305 18015 278 1 . 1 1 63 63 GLU CA C 60 56.923 56.923 56.030 0.893 18015 279 1 . 1 1 63 63 GLU CB C 60 30.001 30.001 30.203 -0.202 18015 280 1 . 1 1 63 63 GLU H H 60 8.078 8.078 8.017 0.061 18015 281 1 . 1 1 64 64 GLU N N 61 120.134 120.134 119.375 0.759 18015 282 1 . 1 1 64 64 GLU HA H 61 3.774 3.774 3.996 -0.222 18015 283 1 . 1 1 64 64 GLU CA C 61 57.450 57.450 58.886 -1.436 18015 284 1 . 1 1 64 64 GLU CB C 61 29.897 29.897 29.011 0.886 18015 285 1 . 1 1 64 64 GLU H H 61 7.889 7.889 8.350 -0.461 18015 286 1 . 1 1 65 65 PHE N N 62 118.794 118.794 112.579 6.215 18015 287 1 . 1 1 65 65 PHE HA H 62 4.578 4.578 4.617 -0.039 18015 288 1 . 1 1 65 65 PHE CA C 62 56.961 56.961 57.502 -0.541 18015 289 1 . 1 1 65 65 PHE CB C 62 39.297 39.297 40.126 -0.829 18015 290 1 . 1 1 65 65 PHE H H 62 7.731 7.731 7.714 0.017 18015 291 1 . 1 1 66 66 ILE N N 63 123.529 123.529 122.367 1.162 18015 292 1 . 1 1 66 66 ILE HA H 63 4.130 4.130 3.988 0.142 18015 293 1 . 1 1 66 66 ILE CA C 63 60.934 60.934 61.412 -0.478 18015 294 1 . 1 1 66 66 ILE CB C 63 38.543 38.543 38.196 0.348 18015 295 1 . 1 1 66 66 ILE H H 63 7.802 7.802 7.136 0.666 18015 296 1 . 1 1 67 67 VAL N N 64 125.799 125.799 126.272 -0.473 18015 297 1 . 1 1 67 67 VAL HA H 64 4.197 4.197 4.119 0.078 18015 298 1 . 1 1 67 67 VAL CA C 64 62.225 62.225 62.159 0.066 18015 299 1 . 1 1 67 67 VAL CB C 64 32.811 32.811 33.346 -0.535 18015 300 1 . 1 1 67 67 VAL H H 64 8.292 8.292 8.270 0.022 18015 301 1 . 1 1 68 68 THR N N 65 118.825 118.825 117.565 1.260 18015 302 1 . 1 1 68 68 THR HA H 65 4.440 4.440 4.382 0.058 18015 303 1 . 1 1 68 68 THR CA C 65 61.236 61.236 62.335 -1.099 18015 304 1 . 1 1 68 68 THR CB C 65 70.114 70.114 69.193 0.921 18015 305 1 . 1 1 68 68 THR H H 65 8.353 8.353 8.198 0.155 18015 stop_ save_