data_18717 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18717 _Entry.PDB_ID 2LYC 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 18717 _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 3 3 ASP N N 3 120.763 120.763 121.100 -0.337 18717 2 1 1 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.633 -0.146 18717 3 1 1 . 1 1 3 3 ASP CA C 3 54.131 54.131 54.268 -0.137 18717 4 1 1 . 1 1 3 3 ASP CB C 3 40.887 40.887 39.638 1.249 18717 5 1 1 . 1 1 3 3 ASP H H 3 8.327 8.327 8.278 0.049 18717 6 1 1 . 1 1 4 4 ILE N N 4 121.147 121.147 118.725 2.422 18717 7 1 1 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.474 -0.429 18717 8 1 1 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.001 1.722 18717 9 1 1 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.025 -1.565 18717 10 1 1 . 1 1 4 4 ILE H H 4 7.971 7.971 7.500 0.471 18717 11 1 1 . 1 1 5 5 ARG N N 5 123.685 123.685 122.091 1.594 18717 12 1 1 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.136 0.335 18717 13 1 1 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.123 -2.704 18717 14 1 1 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.547 -0.405 18717 15 1 1 . 1 1 5 5 ARG H H 5 8.067 8.067 8.454 -0.387 18717 16 1 1 . 1 1 6 6 ILE N N 6 124.881 124.881 117.039 7.842 18717 17 1 1 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.454 -0.671 18717 18 1 1 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.178 2.263 18717 19 1 1 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.637 -1.453 18717 20 1 1 . 1 1 6 6 ILE H H 6 9.083 9.083 8.620 0.463 18717 21 1 1 . 1 1 7 7 VAL N N 7 120.527 120.527 116.342 4.185 18717 22 1 1 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.545 -0.454 18717 23 1 1 . 1 1 7 7 VAL CA C 7 58.665 58.665 59.227 -0.562 18717 24 1 1 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.372 -1.680 18717 25 1 1 . 1 1 7 7 VAL H H 7 9.067 9.067 7.867 1.200 18717 26 1 1 . 1 1 9 9 GLN N N 9 120.479 120.479 117.842 2.637 18717 27 1 1 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.359 -0.499 18717 28 1 1 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.105 0.794 18717 29 1 1 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.901 -0.079 18717 30 1 1 . 1 1 9 9 GLN H H 9 8.305 8.305 8.360 -0.055 18717 31 1 1 . 1 1 10 10 ILE N N 10 125.746 125.746 117.594 8.152 18717 32 1 1 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.560 -0.510 18717 33 1 1 . 1 1 10 10 ILE CA C 10 60.287 60.287 60.056 0.231 18717 34 1 1 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.760 -2.610 18717 35 1 1 . 1 1 10 10 ILE H H 10 10.040 10.040 8.304 1.736 18717 36 1 1 . 1 1 11 11 THR HA H 11 4.459 4.459 4.641 -0.182 18717 37 1 1 . 1 1 11 11 THR CA C 11 60.124 60.124 59.916 0.208 18717 38 1 1 . 1 1 11 11 THR CB C 11 71.036 71.036 70.525 0.511 18717 39 1 1 . 1 1 12 12 ASP N N 12 121.634 121.634 121.643 -0.009 18717 40 1 1 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.501 -0.268 18717 41 1 1 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.652 0.139 18717 42 1 1 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.503 0.342 18717 43 1 1 . 1 1 12 12 ASP H H 12 8.892 8.892 8.817 0.075 18717 44 1 1 . 1 1 13 13 GLU N N 13 117.207 117.207 117.429 -0.222 18717 45 1 1 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.137 -0.288 18717 46 1 1 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.730 0.953 18717 47 1 1 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.565 -0.410 18717 48 1 1 . 1 1 13 13 GLU H H 13 8.421 8.421 8.592 -0.171 18717 49 1 1 . 1 1 14 14 GLU N N 14 118.579 118.579 117.257 1.322 18717 50 1 1 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.348 -0.371 18717 51 1 1 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.239 1.254 18717 52 1 1 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.093 1.322 18717 53 1 1 . 1 1 14 14 GLU H H 14 7.647 7.647 7.889 -0.242 18717 54 1 1 . 1 1 15 15 PHE N N 15 122.867 122.867 122.683 0.184 18717 55 1 1 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.281 -0.436 18717 56 1 1 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.965 0.041 18717 57 1 1 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.348 0.509 18717 58 1 1 . 1 1 15 15 PHE H H 15 8.823 8.823 8.879 -0.056 18717 59 1 1 . 1 1 16 16 LYS N N 16 115.192 115.192 116.568 -1.376 18717 60 1 1 . 1 1 16 16 LYS HA H 16 3.963 3.963 3.680 0.283 18717 61 1 1 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.385 -0.299 18717 62 1 1 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.528 1.080 18717 63 1 1 . 1 1 16 16 LYS H H 16 7.742 7.742 7.871 -0.129 18717 64 1 1 . 1 1 17 17 THR N N 17 108.709 108.709 110.208 -1.499 18717 65 1 1 . 1 1 17 17 THR HA H 17 4.269 4.269 4.238 0.031 18717 66 1 1 . 1 1 17 17 THR CA C 17 61.767 61.767 63.025 -1.258 18717 67 1 1 . 1 1 17 17 THR CB C 17 69.956 69.956 69.367 0.589 18717 68 1 1 . 1 1 17 17 THR H H 17 7.518 7.518 7.390 0.128 18717 69 1 1 . 1 1 18 18 ILE N N 18 124.707 124.707 123.833 0.874 18717 70 1 1 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.074 -0.462 18717 71 1 1 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.715 1.686 18717 72 1 1 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.079 -0.796 18717 73 1 1 . 1 1 18 18 ILE H H 18 7.063 7.063 7.441 -0.378 18717 74 1 1 . 1 1 20 20 LYS N N 20 124.646 124.646 120.091 4.555 18717 75 1 1 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.958 -0.249 18717 76 1 1 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.872 0.308 18717 77 1 1 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.527 -0.088 18717 78 1 1 . 1 1 20 20 LYS H H 20 8.639 8.639 8.444 0.195 18717 79 1 1 . 1 1 21 21 TYR N N 21 115.093 115.093 118.642 -3.549 18717 80 1 1 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.308 0.006 18717 81 1 1 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.631 -0.717 18717 82 1 1 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.154 -0.977 18717 83 1 1 . 1 1 21 21 TYR H H 21 7.897 7.897 7.730 0.167 18717 84 1 1 . 1 1 22 22 GLN N N 22 119.745 119.745 115.865 3.880 18717 85 1 1 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.417 -0.491 18717 86 1 1 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.346 0.260 18717 87 1 1 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.382 -0.917 18717 88 1 1 . 1 1 22 22 GLN H H 22 6.759 6.759 7.924 -1.165 18717 89 1 1 . 1 1 23 23 LEU N N 23 118.619 118.619 117.762 0.857 18717 90 1 1 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.100 -0.248 18717 91 1 1 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.546 0.023 18717 92 1 1 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.385 1.205 18717 93 1 1 . 1 1 23 23 LEU H H 23 7.115 7.115 7.602 -0.487 18717 94 1 1 . 1 1 24 24 GLY N N 24 103.606 103.606 107.048 -3.442 18717 95 1 1 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.648 0.275 18717 96 1 1 . 1 1 24 24 GLY H H 24 7.541 7.541 8.087 -0.546 18717 97 1 1 . 1 1 25 25 ARG N N 25 126.033 126.033 122.733 3.300 18717 98 1 1 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.611 -0.331 18717 99 1 1 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.276 0.097 18717 100 1 1 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.150 -1.204 18717 101 1 1 . 1 1 25 25 ARG H H 25 8.850 8.850 8.186 0.664 18717 102 1 1 . 1 1 26 26 LEU N N 26 121.287 121.287 120.151 1.136 18717 103 1 1 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.574 -0.316 18717 104 1 1 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.675 1.921 18717 105 1 1 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.947 -1.202 18717 106 1 1 . 1 1 26 26 LEU H H 26 8.017 8.017 7.185 0.832 18717 107 1 1 . 1 1 27 27 THR N N 27 110.943 110.943 110.509 0.434 18717 108 1 1 . 1 1 27 27 THR HA H 27 4.626 4.626 4.377 0.249 18717 109 1 1 . 1 1 27 27 THR CA C 27 58.272 58.272 60.959 -2.687 18717 110 1 1 . 1 1 27 27 THR H H 27 7.129 7.129 7.988 -0.859 18717 111 1 1 . 1 1 28 28 LEU N N 28 124.601 124.601 122.478 2.123 18717 112 1 1 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.812 -0.585 18717 113 1 1 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.609 -0.775 18717 114 1 1 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.855 -1.942 18717 115 1 1 . 1 1 28 28 LEU H H 28 8.404 8.404 8.043 0.361 18717 116 1 1 . 1 1 29 29 GLU N N 29 117.021 117.021 117.852 -0.831 18717 117 1 1 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.882 0.004 18717 118 1 1 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.647 0.320 18717 119 1 1 . 1 1 29 29 GLU CB C 29 28.813 28.813 28.965 -0.152 18717 120 1 1 . 1 1 29 29 GLU H H 29 8.361 8.361 8.445 -0.084 18717 121 1 1 . 1 1 30 30 MET N N 30 119.159 119.159 117.649 1.510 18717 122 1 1 . 1 1 30 30 MET HA H 30 3.999 3.999 4.344 -0.345 18717 123 1 1 . 1 1 30 30 MET CA C 30 58.946 58.946 58.858 0.088 18717 124 1 1 . 1 1 30 30 MET CB C 30 31.941 31.941 32.737 -0.796 18717 125 1 1 . 1 1 30 30 MET H H 30 7.541 7.541 7.395 0.146 18717 126 1 1 . 1 1 31 31 MET N N 31 117.316 117.316 117.753 -0.437 18717 127 1 1 . 1 1 31 31 MET HA H 31 3.833 3.833 3.988 -0.155 18717 128 1 1 . 1 1 31 31 MET CA C 31 58.966 58.966 59.636 -0.670 18717 129 1 1 . 1 1 31 31 MET CB C 31 32.253 32.253 32.199 0.054 18717 130 1 1 . 1 1 31 31 MET H H 31 8.310 8.310 8.122 0.188 18717 131 1 1 . 1 1 32 32 ASN N N 32 116.639 116.639 118.978 -2.339 18717 132 1 1 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.374 0.584 18717 133 1 1 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.967 -2.692 18717 134 1 1 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.635 -1.720 18717 135 1 1 . 1 1 32 32 ASN H H 32 8.728 8.728 8.668 0.060 18717 136 1 1 . 1 1 33 33 GLU N N 33 125.338 125.338 118.873 6.465 18717 137 1 1 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.148 0.038 18717 138 1 1 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.703 0.808 18717 139 1 1 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.439 -0.211 18717 140 1 1 . 1 1 33 33 GLU H H 33 7.918 7.918 7.974 -0.056 18717 141 1 1 . 1 1 34 34 ILE N N 34 119.962 119.962 121.617 -1.655 18717 142 1 1 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.735 -0.264 18717 143 1 1 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.372 0.422 18717 144 1 1 . 1 1 34 34 ILE CB C 34 37.922 37.922 38.190 -0.268 18717 145 1 1 . 1 1 34 34 ILE H H 34 7.576 7.576 7.342 0.234 18717 146 1 1 . 1 1 35 35 VAL N N 35 119.021 119.021 118.470 0.551 18717 147 1 1 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.759 -0.184 18717 148 1 1 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.895 0.250 18717 149 1 1 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.384 0.115 18717 150 1 1 . 1 1 35 35 VAL H H 35 8.657 8.657 8.609 0.048 18717 151 1 1 . 1 1 36 36 SER N N 36 114.977 114.977 116.676 -1.699 18717 152 1 1 . 1 1 36 36 SER HA H 36 4.171 4.171 4.258 -0.087 18717 153 1 1 . 1 1 36 36 SER CA C 36 61.604 61.604 61.743 -0.139 18717 154 1 1 . 1 1 36 36 SER CB C 36 62.415 62.415 63.207 -0.792 18717 155 1 1 . 1 1 36 36 SER H H 36 8.175 8.175 7.912 0.263 18717 156 1 1 . 1 1 37 37 LYS N N 37 119.000 119.000 121.931 -2.931 18717 157 1 1 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.063 0.114 18717 158 1 1 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.890 -1.735 18717 159 1 1 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.095 -1.715 18717 160 1 1 . 1 1 37 37 LYS H H 37 7.283 7.283 7.795 -0.512 18717 161 1 1 . 1 1 38 38 MET N N 38 119.061 119.061 118.764 0.297 18717 162 1 1 . 1 1 38 38 MET HA H 38 3.430 3.430 3.927 -0.497 18717 163 1 1 . 1 1 38 38 MET CA C 38 59.676 59.676 59.724 -0.048 18717 164 1 1 . 1 1 38 38 MET CB C 38 31.961 31.961 32.604 -0.643 18717 165 1 1 . 1 1 38 38 MET H H 38 7.740 7.740 7.883 -0.143 18717 166 1 1 . 1 1 39 39 ASP N N 39 118.445 118.445 119.051 -0.606 18717 167 1 1 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.464 -0.374 18717 168 1 1 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.395 1.379 18717 169 1 1 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.666 2.476 18717 170 1 1 . 1 1 39 39 ASP H H 39 8.603 8.603 7.937 0.666 18717 171 1 1 . 1 1 40 40 ASP N N 40 117.427 117.427 120.495 -3.068 18717 172 1 1 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.476 -0.287 18717 173 1 1 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.112 0.214 18717 174 1 1 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.957 0.084 18717 175 1 1 . 1 1 40 40 ASP H H 40 8.397 8.397 7.700 0.697 18717 176 1 1 . 1 1 41 41 PHE N N 41 119.507 119.507 121.059 -1.552 18717 177 1 1 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.344 -0.373 18717 178 1 1 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.890 1.272 18717 179 1 1 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.256 0.242 18717 180 1 1 . 1 1 41 41 PHE H H 41 8.248 8.248 8.031 0.217 18717 181 1 1 . 1 1 42 42 LEU N N 42 118.072 118.072 120.275 -2.203 18717 182 1 1 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.136 -0.411 18717 183 1 1 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.541 -0.373 18717 184 1 1 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.370 0.279 18717 185 1 1 . 1 1 42 42 LEU H H 42 8.203 8.203 8.807 -0.604 18717 186 1 1 . 1 1 43 43 MET N N 43 121.878 121.878 119.406 2.472 18717 187 1 1 . 1 1 43 43 MET HA H 43 4.063 4.063 4.235 -0.172 18717 188 1 1 . 1 1 43 43 MET CA C 43 57.664 57.664 57.504 0.160 18717 189 1 1 . 1 1 43 43 MET CB C 43 30.833 30.833 32.276 -1.443 18717 190 1 1 . 1 1 43 43 MET H H 43 9.073 9.073 8.453 0.620 18717 191 1 1 . 1 1 44 44 LYS N N 44 122.276 122.276 118.187 4.089 18717 192 1 1 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.068 -0.203 18717 193 1 1 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.179 0.305 18717 194 1 1 . 1 1 44 44 LYS CB C 44 31.525 31.525 31.887 -0.362 18717 195 1 1 . 1 1 44 44 LYS H H 44 7.678 7.678 8.171 -0.493 18717 196 1 1 . 1 1 46 46 SER N N 46 113.504 113.504 113.187 0.317 18717 197 1 1 . 1 1 46 46 SER HA H 46 3.744 3.744 4.151 -0.407 18717 198 1 1 . 1 1 46 46 SER CA C 46 61.358 61.358 61.115 0.243 18717 199 1 1 . 1 1 46 46 SER CB C 46 62.674 62.674 63.028 -0.354 18717 200 1 1 . 1 1 46 46 SER H H 46 8.467 8.467 7.793 0.674 18717 201 1 1 . 1 1 47 47 LYS N N 47 120.235 120.235 120.416 -0.181 18717 202 1 1 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.384 -0.429 18717 203 1 1 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.434 0.380 18717 204 1 1 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.794 0.219 18717 205 1 1 . 1 1 47 47 LYS H H 47 7.659 7.659 7.448 0.211 18717 206 1 1 . 1 1 48 48 ILE N N 48 120.699 120.699 119.088 1.611 18717 207 1 1 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.936 -0.471 18717 208 1 1 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.841 2.251 18717 209 1 1 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.690 -0.743 18717 210 1 1 . 1 1 48 48 ILE H H 48 7.803 7.803 7.312 0.491 18717 211 1 1 . 1 1 49 49 LEU N N 49 118.686 118.686 118.618 0.068 18717 212 1 1 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.088 -0.023 18717 213 1 1 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.635 0.479 18717 214 1 1 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.650 -0.057 18717 215 1 1 . 1 1 49 49 LEU H H 49 8.671 8.671 7.534 1.137 18717 216 1 1 . 1 1 50 50 GLY N N 50 103.264 103.264 105.404 -2.140 18717 217 1 1 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.901 -0.354 18717 218 1 1 . 1 1 50 50 GLY H H 50 7.422 7.422 7.714 -0.292 18717 219 1 1 . 1 1 51 51 LYS N N 51 121.616 121.616 120.873 0.743 18717 220 1 1 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.280 -0.010 18717 221 1 1 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.995 0.333 18717 222 1 1 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.289 1.887 18717 223 1 1 . 1 1 51 51 LYS H H 51 7.227 7.227 7.536 -0.309 18717 224 1 1 . 1 1 52 52 THR N N 52 112.472 112.472 109.747 2.725 18717 225 1 1 . 1 1 52 52 THR HA H 52 4.363 4.363 4.614 -0.251 18717 226 1 1 . 1 1 52 52 THR CA C 52 60.280 60.280 60.012 0.268 18717 227 1 1 . 1 1 52 52 THR CB C 52 69.989 69.989 71.700 -1.711 18717 228 1 1 . 1 1 52 52 THR H H 52 8.298 8.298 7.684 0.614 18717 229 1 1 . 1 1 53 53 ASN N N 53 118.660 118.660 116.576 2.084 18717 230 1 1 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.458 -0.195 18717 231 1 1 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.288 1.278 18717 232 1 1 . 1 1 53 53 ASN CB C 53 38.190 38.190 37.691 0.499 18717 233 1 1 . 1 1 53 53 ASN H H 53 8.739 8.739 8.706 0.033 18717 234 1 1 . 1 1 54 54 LYS N N 54 116.241 116.241 118.939 -2.698 18717 235 1 1 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.168 -0.084 18717 236 1 1 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.665 -0.114 18717 237 1 1 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.324 0.054 18717 238 1 1 . 1 1 54 54 LYS H H 54 7.949 7.949 7.992 -0.043 18717 239 1 1 . 1 1 55 55 GLN N N 55 116.389 116.389 116.722 -0.333 18717 240 1 1 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.307 -0.124 18717 241 1 1 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.900 -0.279 18717 242 1 1 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.923 0.600 18717 243 1 1 . 1 1 55 55 GLN H H 55 7.492 7.492 8.035 -0.543 18717 244 1 1 . 1 1 56 56 LEU N N 56 120.014 120.014 121.855 -1.841 18717 245 1 1 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.255 0.192 18717 246 1 1 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.642 -0.317 18717 247 1 1 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.186 0.838 18717 248 1 1 . 1 1 56 56 LEU H H 56 7.137 7.137 7.890 -0.753 18717 249 1 1 . 1 1 57 57 THR N N 57 115.673 115.673 119.486 -3.813 18717 250 1 1 . 1 1 57 57 THR HA H 57 4.491 4.491 4.661 -0.170 18717 251 1 1 . 1 1 57 57 THR CA C 57 59.638 59.638 60.115 -0.477 18717 252 1 1 . 1 1 57 57 THR CB C 57 71.233 71.233 70.976 0.257 18717 253 1 1 . 1 1 57 57 THR H H 57 8.986 8.986 7.971 1.015 18717 254 1 1 . 1 1 58 58 ARG N N 58 121.180 121.180 120.634 0.546 18717 255 1 1 . 1 1 58 58 ARG HA H 58 3.877 3.877 3.958 -0.081 18717 256 1 1 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.898 -0.081 18717 257 1 1 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.877 -0.546 18717 258 1 1 . 1 1 58 58 ARG H H 58 8.783 8.783 8.774 0.009 18717 259 1 1 . 1 1 59 59 SER N N 59 113.863 113.863 114.902 -1.039 18717 260 1 1 . 1 1 59 59 SER HA H 59 4.116 4.116 4.158 -0.042 18717 261 1 1 . 1 1 59 59 SER CA C 59 60.988 60.988 61.204 -0.216 18717 262 1 1 . 1 1 59 59 SER CB C 59 62.156 62.156 62.584 -0.428 18717 263 1 1 . 1 1 59 59 SER H H 59 8.198 8.198 8.416 -0.218 18717 264 1 1 . 1 1 60 60 ASP N N 60 122.780 122.780 121.678 1.102 18717 265 1 1 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.450 -0.398 18717 266 1 1 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.297 0.241 18717 267 1 1 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.768 1.210 18717 268 1 1 . 1 1 60 60 ASP H H 60 7.623 7.623 7.971 -0.348 18717 269 1 1 . 1 1 61 61 ARG N N 61 117.219 117.219 119.695 -2.476 18717 270 1 1 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.063 -0.344 18717 271 1 1 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.509 0.028 18717 272 1 1 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.581 -0.977 18717 273 1 1 . 1 1 61 61 ARG H H 61 7.966 7.966 7.704 0.262 18717 274 1 1 . 1 1 62 62 GLU N N 62 118.341 118.341 120.145 -1.804 18717 275 1 1 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.027 -0.085 18717 276 1 1 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.350 -0.314 18717 277 1 1 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.850 0.633 18717 278 1 1 . 1 1 62 62 GLU H H 62 7.556 7.556 8.160 -0.604 18717 279 1 1 . 1 1 63 63 VAL N N 63 116.650 116.650 117.308 -0.658 18717 280 1 1 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.253 0.328 18717 281 1 1 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.604 0.013 18717 282 1 1 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.102 0.179 18717 283 1 1 . 1 1 63 63 VAL H H 63 7.398 7.398 7.436 -0.038 18717 284 1 1 . 1 1 64 64 LEU N N 64 121.502 121.502 121.285 0.217 18717 285 1 1 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.178 -0.469 18717 286 1 1 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.169 -0.302 18717 287 1 1 . 1 1 64 64 LEU CB C 64 41.936 41.936 40.972 0.964 18717 288 1 1 . 1 1 64 64 LEU H H 64 7.889 7.889 7.648 0.241 18717 289 1 1 . 1 1 65 65 ASP N N 65 119.200 119.200 119.107 0.093 18717 290 1 1 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.360 0.032 18717 291 1 1 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.643 -0.381 18717 292 1 1 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.792 -1.067 18717 293 1 1 . 1 1 65 65 ASP H H 65 7.846 7.846 7.944 -0.098 18717 294 1 1 . 1 1 66 66 ASN N N 66 120.252 120.252 119.304 0.948 18717 295 1 1 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.560 -0.057 18717 296 1 1 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.190 -0.100 18717 297 1 1 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.797 -0.778 18717 298 1 1 . 1 1 66 66 ASN H H 66 7.480 7.480 7.666 -0.186 18717 299 1 1 . 1 1 67 67 TRP N N 67 122.830 122.830 120.046 2.784 18717 300 1 1 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.556 -0.057 18717 301 1 1 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.004 -1.717 18717 302 1 1 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.651 -0.588 18717 303 1 1 . 1 1 67 67 TRP H H 67 8.730 8.730 8.524 0.206 18717 304 1 1 . 1 1 68 68 ARG N N 68 120.279 120.279 117.175 3.104 18717 305 1 1 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.227 0.616 18717 306 1 1 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.178 -0.001 18717 307 1 1 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.445 -1.139 18717 308 1 1 . 1 1 68 68 ARG H H 68 7.976 7.976 8.121 -0.145 18717 309 1 1 . 1 1 69 69 GLU N N 69 121.656 121.656 120.881 0.775 18717 310 1 1 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.228 0.054 18717 311 1 1 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.153 0.152 18717 312 1 1 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.157 0.825 18717 313 1 1 . 1 1 69 69 GLU H H 69 8.676 8.676 7.763 0.913 18717 314 1 1 . 1 1 70 70 LEU N N 70 120.066 120.066 117.359 2.707 18717 315 1 1 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.450 -0.315 18717 316 1 1 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.366 -0.365 18717 317 1 1 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.635 0.735 18717 318 1 1 . 1 1 70 70 LEU H H 70 7.963 7.963 7.958 0.005 18717 319 1 1 . 1 1 71 71 GLU N N 71 118.326 118.326 118.617 -0.291 18717 320 1 1 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.149 -0.584 18717 321 1 1 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.493 -0.175 18717 322 1 1 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.032 0.138 18717 323 1 1 . 1 1 71 71 GLU H H 71 8.278 8.278 8.034 0.244 18717 324 1 1 . 1 1 72 72 MET N N 72 117.881 117.881 114.721 3.160 18717 325 1 1 . 1 1 72 72 MET HA H 72 4.163 4.163 4.568 -0.405 18717 326 1 1 . 1 1 72 72 MET CA C 72 57.906 57.906 57.777 0.129 18717 327 1 1 . 1 1 72 72 MET CB C 72 32.006 32.006 33.118 -1.113 18717 328 1 1 . 1 1 72 72 MET H H 72 7.966 7.966 7.777 0.190 18717 329 1 1 . 1 1 73 73 LYS N N 73 119.844 119.844 118.846 0.998 18717 330 1 1 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.345 -0.288 18717 331 1 1 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.489 0.629 18717 332 1 1 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.785 -0.392 18717 333 1 1 . 1 1 73 73 LYS H H 73 7.959 7.959 7.696 0.263 18717 334 1 1 . 1 1 74 74 ALA N N 74 120.588 120.588 119.875 0.713 18717 335 1 1 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.381 -0.364 18717 336 1 1 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.139 0.971 18717 337 1 1 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.096 -0.600 18717 338 1 1 . 1 1 74 74 ALA H H 74 7.504 7.504 7.576 -0.072 18717 339 1 1 . 1 1 75 75 ARG N N 75 111.895 111.895 117.657 -5.762 18717 340 1 1 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.990 -0.185 18717 341 1 1 . 1 1 75 75 ARG CA C 75 57.373 57.373 56.548 0.825 18717 342 1 1 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.833 -0.437 18717 343 1 1 . 1 1 75 75 ARG H H 75 7.550 7.550 7.514 0.036 18717 344 1 1 . 1 1 76 76 LYS N N 76 114.585 114.585 115.388 -0.803 18717 345 1 1 . 1 1 76 76 LYS HA H 76 4.114 4.114 3.830 0.284 18717 346 1 1 . 1 1 76 76 LYS CA C 76 55.502 55.502 57.765 -2.263 18717 347 1 1 . 1 1 76 76 LYS CB C 76 32.276 32.276 30.286 1.990 18717 348 1 1 . 1 1 76 76 LYS H H 76 7.810 7.810 8.355 -0.545 18717 349 1 1 . 1 1 77 77 ARG N N 77 119.199 119.199 119.119 0.080 18717 350 1 1 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.423 -0.375 18717 351 1 1 . 1 1 77 77 ARG CA C 77 55.690 55.690 54.411 1.279 18717 352 1 1 . 1 1 77 77 ARG CB C 77 30.476 30.476 31.954 -1.478 18717 353 1 1 . 1 1 77 77 ARG H H 77 7.916 7.916 7.989 -0.074 18717 354 1 1 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.204 -0.041 18717 355 1 1 . 1 1 80 80 THR N N 80 110.230 110.230 114.251 -4.021 18717 356 1 1 . 1 1 80 80 THR HA H 80 4.526 4.526 4.415 0.111 18717 357 1 1 . 1 1 80 80 THR CA C 80 58.081 58.081 61.301 -3.220 18717 358 1 1 . 1 1 80 80 THR CB C 80 67.980 67.980 70.069 -2.089 18717 359 1 1 . 1 1 80 80 THR H H 80 6.530 6.530 7.658 -1.128 18717 360 1 1 . 1 1 81 81 THR N N 81 114.552 114.552 113.795 0.757 18717 361 1 1 . 1 1 81 81 THR HA H 81 4.260 4.260 4.097 0.163 18717 362 1 1 . 1 1 81 81 THR CA C 81 61.767 61.767 62.401 -0.634 18717 363 1 1 . 1 1 81 81 THR CB C 81 68.383 68.383 69.558 -1.175 18717 364 1 1 . 1 1 81 81 THR H H 81 7.674 7.674 8.221 -0.547 18717 365 1 1 . 1 1 82 82 LEU N N 82 127.155 127.155 122.317 4.838 18717 366 1 1 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.259 -0.267 18717 367 1 1 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.594 -0.880 18717 368 1 1 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.592 -1.214 18717 369 1 1 . 1 1 82 82 LEU H H 82 8.465 8.465 7.527 0.938 18717 370 1 1 . 1 1 83 83 PHE N N 83 113.552 113.552 116.181 -2.629 18717 371 1 1 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.385 0.537 18717 372 1 1 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.210 -0.546 18717 373 1 1 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.219 0.830 18717 374 1 1 . 1 1 83 83 PHE H H 83 6.370 6.370 6.696 -0.326 18717 375 1 1 . 1 1 84 84 PHE N N 84 116.628 116.628 114.276 2.352 18717 376 1 1 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.453 -0.178 18717 377 1 1 . 1 1 84 84 PHE CA C 84 55.351 55.351 55.088 0.263 18717 378 1 1 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.702 1.121 18717 379 1 1 . 1 1 84 84 PHE H H 84 9.579 9.579 7.802 1.777 18717 380 1 1 . 1 1 85 85 ILE N N 85 113.827 113.827 115.188 -1.361 18717 381 1 1 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.227 -0.085 18717 382 1 1 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.705 -0.419 18717 383 1 1 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.025 0.262 18717 384 1 1 . 1 1 85 85 ILE H H 85 9.410 9.410 8.577 0.833 18717 385 1 1 . 1 1 86 86 GLU N N 86 124.724 124.724 125.453 -0.729 18717 386 1 1 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.804 -0.179 18717 387 1 1 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.233 0.483 18717 388 1 1 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.442 -0.432 18717 389 1 1 . 1 1 86 86 GLU H H 86 9.957 9.957 8.637 1.320 18717 390 1 1 . 1 1 87 87 THR N N 87 106.336 106.336 111.720 -5.384 18717 391 1 1 . 1 1 87 87 THR HA H 87 3.695 3.695 4.075 -0.380 18717 392 1 1 . 1 1 87 87 THR CA C 87 63.680 63.680 64.680 -1.000 18717 393 1 1 . 1 1 87 87 THR CB C 87 67.530 67.530 67.991 -0.461 18717 394 1 1 . 1 1 87 87 THR H H 87 7.659 7.659 7.951 -0.292 18717 395 1 1 . 1 1 88 88 ASP N N 88 119.814 119.814 119.801 0.013 18717 396 1 1 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.513 -0.299 18717 397 1 1 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.305 1.193 18717 398 1 1 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.427 -1.346 18717 399 1 1 . 1 1 88 88 ASP H H 88 7.605 7.605 8.080 -0.475 18717 400 1 1 . 1 1 89 89 ILE N N 89 113.246 113.246 118.459 -5.213 18717 401 1 1 . 1 1 89 89 ILE HA H 89 3.814 3.814 3.802 0.012 18717 402 1 1 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.322 -2.815 18717 403 1 1 . 1 1 89 89 ILE CB C 89 36.800 36.800 37.497 -0.697 18717 404 1 1 . 1 1 89 89 ILE H H 89 6.538 6.538 7.137 -0.599 18717 405 1 1 . 1 1 90 90 ARG N N 90 119.499 119.499 122.852 -3.353 18717 406 1 1 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.015 -0.399 18717 407 1 1 . 1 1 90 90 ARG CA C 90 62.065 62.065 59.521 2.544 18717 408 1 1 . 1 1 90 90 ARG CB C 90 28.893 28.893 27.589 1.304 18717 409 1 1 . 1 1 90 90 ARG H H 90 7.721 7.721 8.442 -0.721 18717 410 1 1 . 1 1 92 92 MET N N 92 113.492 113.492 116.409 -2.917 18717 411 1 1 . 1 1 92 92 MET HA H 92 4.175 4.175 4.390 -0.215 18717 412 1 1 . 1 1 92 92 MET CA C 92 55.799 55.799 55.979 -0.180 18717 413 1 1 . 1 1 92 92 MET CB C 92 33.950 33.950 34.100 -0.150 18717 414 1 1 . 1 1 92 92 MET H H 92 7.549 7.549 7.631 -0.082 18717 415 1 1 . 1 1 93 93 LEU N N 93 117.943 117.943 119.318 -1.375 18717 416 1 1 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.162 0.272 18717 417 1 1 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.032 -3.177 18717 418 1 1 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.452 0.407 18717 419 1 1 . 1 1 93 93 LEU H H 93 7.297 7.297 7.388 -0.091 18717 420 1 1 . 1 1 94 94 GLN N N 94 121.536 121.536 115.789 5.747 18717 421 1 1 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.405 -0.237 18717 422 1 1 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.053 1.038 18717 423 1 1 . 1 1 94 94 GLN CB C 94 29.163 29.163 32.236 -3.072 18717 424 1 1 . 1 1 94 94 GLN H H 94 8.675 8.675 8.225 0.450 18717 425 1 1 . 1 1 95 95 ASP N N 95 123.380 123.380 124.885 -1.505 18717 426 1 1 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.456 -0.572 18717 427 1 1 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.438 2.055 18717 428 1 1 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.821 -0.640 18717 429 1 1 . 1 1 95 95 ASP H H 95 8.804 8.804 8.819 -0.015 18717 430 1 1 . 1 1 96 96 ARG N N 96 115.337 115.337 115.423 -0.086 18717 431 1 1 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.426 -0.337 18717 432 1 1 . 1 1 96 96 ARG CA C 96 57.807 57.807 55.902 1.905 18717 433 1 1 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.170 -0.739 18717 434 1 1 . 1 1 96 96 ARG H H 96 8.652 8.652 7.906 0.746 18717 435 1 1 . 1 1 97 97 LEU N N 97 118.485 118.485 120.582 -2.097 18717 436 1 1 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.133 0.257 18717 437 1 1 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.509 -1.098 18717 438 1 1 . 1 1 97 97 LEU CB C 97 44.094 44.094 41.892 2.202 18717 439 1 1 . 1 1 97 97 LEU H H 97 7.776 7.776 7.446 0.330 18717 440 1 1 . 1 1 98 98 ARG N N 98 119.863 119.863 114.965 4.898 18717 441 1 1 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.085 -0.176 18717 442 1 1 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.416 5.875 18717 443 1 1 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.789 -0.964 18717 444 1 1 . 1 1 98 98 ARG H H 98 7.553 7.553 7.727 -0.174 18717 445 1 1 . 1 1 100 100 SER N N 100 111.387 111.387 116.807 -5.420 18717 446 1 1 . 1 1 100 100 SER HA H 100 4.360 4.360 4.386 -0.026 18717 447 1 1 . 1 1 100 100 SER CA C 100 59.923 59.923 59.473 0.450 18717 448 1 1 . 1 1 100 100 SER CB C 100 63.304 63.304 64.439 -1.135 18717 449 1 1 . 1 1 100 100 SER H H 100 7.616 7.616 8.646 -1.030 18717 450 1 1 . 1 1 101 101 PHE N N 101 123.367 123.367 124.001 -0.634 18717 451 1 1 . 1 1 101 101 PHE HA H 101 3.706 3.706 3.985 -0.279 18717 452 1 1 . 1 1 101 101 PHE CA C 101 62.716 62.716 62.376 0.340 18717 453 1 1 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.782 -0.137 18717 454 1 1 . 1 1 101 101 PHE H H 101 7.722 7.722 8.240 -0.518 18717 455 1 1 . 1 1 102 102 ALA N N 102 117.466 117.466 118.354 -0.888 18717 456 1 1 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.155 -0.279 18717 457 1 1 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.655 -0.117 18717 458 1 1 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.092 0.038 18717 459 1 1 . 1 1 102 102 ALA H H 102 8.525 8.525 8.842 -0.317 18717 460 1 1 . 1 1 103 103 LYS N N 103 115.077 115.077 117.064 -1.987 18717 461 1 1 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.415 -0.350 18717 462 1 1 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.044 -0.308 18717 463 1 1 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.100 -1.053 18717 464 1 1 . 1 1 103 103 LYS H H 103 7.000 7.000 7.828 -0.828 18717 465 1 1 . 1 1 104 104 ALA N N 104 119.948 119.948 122.243 -2.295 18717 466 1 1 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.281 -0.473 18717 467 1 1 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.787 0.212 18717 468 1 1 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.582 -0.667 18717 469 1 1 . 1 1 104 104 ALA H H 104 7.955 7.955 7.945 0.010 18717 470 1 1 . 1 1 105 105 ILE N N 105 116.011 116.011 120.254 -4.243 18717 471 1 1 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.762 -0.313 18717 472 1 1 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.973 -0.774 18717 473 1 1 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.097 -2.100 18717 474 1 1 . 1 1 105 105 ILE H H 105 7.030 7.030 8.289 -1.259 18717 475 1 1 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.451 -0.418 18717 476 1 1 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.566 0.356 18717 477 1 1 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.858 0.105 18717 478 1 1 . 1 1 107 107 CYS N N 107 115.533 115.533 116.951 -1.418 18717 479 1 1 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.374 -0.500 18717 480 1 1 . 1 1 107 107 CYS CA C 107 61.937 61.937 60.690 1.247 18717 481 1 1 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.770 -0.866 18717 482 1 1 . 1 1 107 107 CYS H H 107 6.558 6.558 7.807 -1.249 18717 483 1 1 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.308 -0.455 18717 484 1 1 . 1 1 109 109 ARG N N 109 120.576 120.576 118.236 2.340 18717 485 1 1 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.258 0.134 18717 486 1 1 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.458 0.003 18717 487 1 1 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.521 0.746 18717 488 1 1 . 1 1 109 109 ARG H H 109 8.507 8.507 8.093 0.414 18717 489 1 1 . 1 1 110 110 HIS N N 110 122.218 122.218 121.224 0.994 18717 490 1 1 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.336 -0.250 18717 491 1 1 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.374 1.384 18717 492 1 1 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.878 1.017 18717 493 1 1 . 1 1 110 110 HIS H H 110 7.998 7.998 8.072 -0.074 18717 494 1 1 . 1 1 111 111 ILE N N 111 105.612 105.612 110.672 -5.060 18717 495 1 1 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.278 0.052 18717 496 1 1 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.998 -0.405 18717 497 1 1 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.757 -1.806 18717 498 1 1 . 1 1 111 111 ILE H H 111 6.904 6.904 7.251 -0.347 18717 499 1 1 . 1 1 112 112 ARG N N 112 114.782 114.782 116.574 -1.792 18717 500 1 1 . 1 1 112 112 ARG HA H 112 3.901 3.901 3.990 -0.089 18717 501 1 1 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.934 0.380 18717 502 1 1 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.193 -0.953 18717 503 1 1 . 1 1 112 112 ARG H H 112 7.660 7.660 8.053 -0.393 18717 504 1 1 . 1 1 113 113 ARG N N 113 114.996 114.996 117.969 -2.973 18717 505 1 1 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.382 -0.132 18717 506 1 1 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.660 -1.006 18717 507 1 1 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.340 0.782 18717 508 1 1 . 1 1 113 113 ARG H H 113 8.149 8.149 7.798 0.351 18717 509 1 1 . 1 1 114 114 ILE N N 114 112.019 112.019 110.525 1.494 18717 510 1 1 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.959 -0.085 18717 511 1 1 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.478 -2.876 18717 512 1 1 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.517 0.883 18717 513 1 1 . 1 1 114 114 ILE H H 114 6.810 6.810 7.287 -0.477 18717 514 1 1 . 1 1 115 115 ARG N N 115 122.894 122.894 118.893 4.001 18717 515 1 1 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.735 -0.378 18717 516 1 1 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.345 -0.233 18717 517 1 1 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.007 -1.949 18717 518 1 1 . 1 1 115 115 ARG H H 115 8.822 8.822 8.247 0.575 18717 519 1 1 . 1 1 116 116 GLU N N 116 118.962 118.962 118.917 0.045 18717 520 1 1 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.911 0.404 18717 521 1 1 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.589 -1.487 18717 522 1 1 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.836 3.098 18717 523 1 1 . 1 1 116 116 GLU H H 116 8.329 8.329 8.318 0.011 18717 524 1 1 . 1 1 117 117 GLU N N 117 124.627 124.627 125.264 -0.637 18717 525 1 1 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.685 -0.154 18717 526 1 1 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.051 0.061 18717 527 1 1 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.266 1.067 18717 528 1 1 . 1 1 117 117 GLU H H 117 9.028 9.028 8.541 0.486 18717 529 1 1 . 1 1 118 118 ARG N N 118 127.916 127.916 126.700 1.216 18717 530 1 1 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.456 0.156 18717 531 1 1 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.733 0.060 18717 532 1 1 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.455 0.686 18717 533 1 1 . 1 1 118 118 ARG H H 118 8.952 8.952 8.618 0.334 18717 534 1 1 . 1 1 119 119 CYS N N 119 126.785 126.785 125.765 1.020 18717 535 1 1 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.638 0.020 18717 536 1 1 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.411 -1.963 18717 537 1 1 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.803 1.389 18717 538 1 1 . 1 1 119 119 CYS H H 119 8.831 8.831 8.270 0.561 18717 539 1 1 . 1 1 120 120 GLY N N 120 117.456 117.456 114.491 2.965 18717 540 1 1 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.094 -0.582 18717 541 1 1 . 1 1 120 120 GLY H H 120 8.873 8.873 8.343 0.530 18717 542 1 1 . 1 1 122 122 LEU N N 122 121.777 121.777 117.942 3.835 18717 543 1 1 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.533 -0.095 18717 544 1 1 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.754 -0.145 18717 545 1 1 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.023 -1.044 18717 546 1 1 . 1 1 122 122 LEU H H 122 7.270 7.270 7.681 -0.411 18717 547 1 1 . 1 1 123 123 THR N N 123 118.668 118.668 114.514 4.154 18717 548 1 1 . 1 1 123 123 THR HA H 123 4.407 4.407 4.648 -0.241 18717 549 1 1 . 1 1 123 123 THR CA C 123 61.769 61.769 61.666 0.103 18717 550 1 1 . 1 1 123 123 THR CB C 123 69.263 69.263 70.000 -0.737 18717 551 1 1 . 1 1 123 123 THR H H 123 7.649 7.649 7.996 -0.347 18717 552 1 1 . 1 1 124 124 PHE N N 124 125.265 125.265 124.386 0.879 18717 553 1 1 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.558 -1.287 18717 554 1 1 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.468 1.119 18717 555 1 1 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.741 0.287 18717 556 1 1 . 1 1 124 124 PHE H H 124 8.553 8.553 8.068 0.485 18717 557 1 1 . 1 1 125 125 TYR N N 125 118.544 118.544 116.320 2.224 18717 558 1 1 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.792 0.494 18717 559 1 1 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.653 -0.903 18717 560 1 1 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.080 -0.962 18717 561 1 1 . 1 1 125 125 TYR H H 125 8.616 8.616 8.246 0.370 18717 562 1 1 . 1 1 126 126 TYR N N 126 115.848 115.848 117.788 -1.940 18717 563 1 1 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.349 -0.089 18717 564 1 1 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.974 0.954 18717 565 1 1 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.559 -1.617 18717 566 1 1 . 1 1 126 126 TYR H H 126 8.357 8.357 7.586 0.771 18717 567 1 1 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.397 0.225 18717 568 1 1 . 1 1 127 127 PRO CA C 127 62.929 62.929 63.098 -0.169 18717 569 1 1 . 1 1 128 128 GLY N N 128 108.039 108.039 115.348 -7.309 18717 570 1 1 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.360 -0.653 18717 571 1 1 . 1 1 128 128 GLY H H 128 7.730 7.730 8.133 -0.403 18717 572 1 1 . 1 1 129 129 SER N N 129 114.228 114.228 115.904 -1.676 18717 573 1 1 . 1 1 129 129 SER HA H 129 4.438 4.438 4.653 -0.215 18717 574 1 1 . 1 1 129 129 SER CA C 129 57.566 57.566 56.736 0.830 18717 575 1 1 . 1 1 129 129 SER CB C 129 63.772 63.772 64.175 -0.403 18717 576 1 1 . 1 1 129 129 SER H H 129 8.102 8.102 8.326 -0.224 18717 577 1 2 . 1 1 3 3 ASP N N 3 120.763 120.763 118.831 1.932 18717 578 1 2 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.622 -0.135 18717 579 1 2 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.807 0.324 18717 580 1 2 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.459 0.429 18717 581 1 2 . 1 1 3 3 ASP H H 3 8.327 8.327 8.656 -0.329 18717 582 1 2 . 1 1 4 4 ILE N N 4 121.147 121.147 116.895 4.252 18717 583 1 2 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.059 -0.014 18717 584 1 2 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.678 1.045 18717 585 1 2 . 1 1 4 4 ILE CB C 4 38.460 38.460 38.076 0.384 18717 586 1 2 . 1 1 4 4 ILE H H 4 7.971 7.971 7.495 0.476 18717 587 1 2 . 1 1 5 5 ARG N N 5 123.685 123.685 121.518 2.167 18717 588 1 2 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.269 0.202 18717 589 1 2 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.160 -2.741 18717 590 1 2 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.331 -0.189 18717 591 1 2 . 1 1 5 5 ARG H H 5 8.067 8.067 8.571 -0.504 18717 592 1 2 . 1 1 6 6 ILE N N 6 124.881 124.881 122.366 2.515 18717 593 1 2 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.100 -0.317 18717 594 1 2 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.961 1.480 18717 595 1 2 . 1 1 6 6 ILE CB C 6 38.184 38.184 38.784 -0.600 18717 596 1 2 . 1 1 6 6 ILE H H 6 9.083 9.083 8.827 0.256 18717 597 1 2 . 1 1 7 7 VAL N N 7 120.527 120.527 113.456 7.071 18717 598 1 2 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.555 -0.464 18717 599 1 2 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.475 0.190 18717 600 1 2 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.650 -1.958 18717 601 1 2 . 1 1 7 7 VAL H H 7 9.067 9.067 7.509 1.558 18717 602 1 2 . 1 1 9 9 GLN N N 9 120.479 120.479 119.053 1.426 18717 603 1 2 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.250 -0.390 18717 604 1 2 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.041 -0.142 18717 605 1 2 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.976 0.846 18717 606 1 2 . 1 1 9 9 GLN H H 9 8.305 8.305 8.327 -0.022 18717 607 1 2 . 1 1 10 10 ILE N N 10 125.746 125.746 117.229 8.517 18717 608 1 2 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.541 -0.491 18717 609 1 2 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.858 0.429 18717 610 1 2 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.248 -2.098 18717 611 1 2 . 1 1 10 10 ILE H H 10 10.040 10.040 8.237 1.803 18717 612 1 2 . 1 1 11 11 THR HA H 11 4.459 4.459 4.499 -0.040 18717 613 1 2 . 1 1 11 11 THR CA C 11 60.124 60.124 60.427 -0.303 18717 614 1 2 . 1 1 11 11 THR CB C 11 71.036 71.036 69.682 1.354 18717 615 1 2 . 1 1 12 12 ASP N N 12 121.634 121.634 120.237 1.397 18717 616 1 2 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.485 -0.252 18717 617 1 2 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.358 0.433 18717 618 1 2 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.678 0.167 18717 619 1 2 . 1 1 12 12 ASP H H 12 8.892 8.892 8.756 0.136 18717 620 1 2 . 1 1 13 13 GLU N N 13 117.207 117.207 118.605 -1.398 18717 621 1 2 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.227 -0.378 18717 622 1 2 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.449 1.234 18717 623 1 2 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.589 -0.434 18717 624 1 2 . 1 1 13 13 GLU H H 13 8.421 8.421 8.824 -0.403 18717 625 1 2 . 1 1 14 14 GLU N N 14 118.579 118.579 118.571 0.008 18717 626 1 2 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.339 -0.362 18717 627 1 2 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.142 1.351 18717 628 1 2 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.230 1.185 18717 629 1 2 . 1 1 14 14 GLU H H 14 7.647 7.647 7.773 -0.126 18717 630 1 2 . 1 1 15 15 PHE N N 15 122.867 122.867 122.153 0.714 18717 631 1 2 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.397 -0.552 18717 632 1 2 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.860 0.146 18717 633 1 2 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.662 0.195 18717 634 1 2 . 1 1 15 15 PHE H H 15 8.823 8.823 8.917 -0.094 18717 635 1 2 . 1 1 16 16 LYS N N 16 115.192 115.192 116.227 -1.035 18717 636 1 2 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.045 -0.082 18717 637 1 2 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.121 -0.035 18717 638 1 2 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.484 1.124 18717 639 1 2 . 1 1 16 16 LYS H H 16 7.742 7.742 7.757 -0.015 18717 640 1 2 . 1 1 17 17 THR N N 17 108.709 108.709 110.383 -1.674 18717 641 1 2 . 1 1 17 17 THR HA H 17 4.269 4.269 4.284 -0.015 18717 642 1 2 . 1 1 17 17 THR CA C 17 61.767 61.767 62.997 -1.230 18717 643 1 2 . 1 1 17 17 THR CB C 17 69.956 69.956 69.172 0.784 18717 644 1 2 . 1 1 17 17 THR H H 17 7.518 7.518 7.377 0.141 18717 645 1 2 . 1 1 18 18 ILE N N 18 124.707 124.707 123.923 0.784 18717 646 1 2 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.485 -0.873 18717 647 1 2 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.962 1.439 18717 648 1 2 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.797 -1.514 18717 649 1 2 . 1 1 18 18 ILE H H 18 7.063 7.063 7.276 -0.213 18717 650 1 2 . 1 1 20 20 LYS N N 20 124.646 124.646 120.636 4.010 18717 651 1 2 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.916 -0.207 18717 652 1 2 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.034 0.146 18717 653 1 2 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.455 -0.016 18717 654 1 2 . 1 1 20 20 LYS H H 20 8.639 8.639 8.777 -0.138 18717 655 1 2 . 1 1 21 21 TYR N N 21 115.093 115.093 117.427 -2.334 18717 656 1 2 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.292 0.022 18717 657 1 2 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.076 -1.162 18717 658 1 2 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.739 -1.562 18717 659 1 2 . 1 1 21 21 TYR H H 21 7.897 7.897 8.143 -0.246 18717 660 1 2 . 1 1 22 22 GLN N N 22 119.745 119.745 116.504 3.241 18717 661 1 2 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.349 -0.423 18717 662 1 2 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.157 0.449 18717 663 1 2 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.025 -0.560 18717 664 1 2 . 1 1 22 22 GLN H H 22 6.759 6.759 7.880 -1.121 18717 665 1 2 . 1 1 23 23 LEU N N 23 118.619 118.619 119.395 -0.776 18717 666 1 2 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.057 -0.205 18717 667 1 2 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.555 0.014 18717 668 1 2 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.609 0.981 18717 669 1 2 . 1 1 23 23 LEU H H 23 7.115 7.115 7.771 -0.656 18717 670 1 2 . 1 1 24 24 GLY N N 24 103.606 103.606 105.914 -2.308 18717 671 1 2 . 1 1 24 24 GLY CA C 24 46.923 46.923 44.971 1.952 18717 672 1 2 . 1 1 24 24 GLY H H 24 7.541 7.541 7.865 -0.324 18717 673 1 2 . 1 1 25 25 ARG N N 25 126.033 126.033 117.752 8.281 18717 674 1 2 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.870 0.410 18717 675 1 2 . 1 1 25 25 ARG CA C 25 55.373 55.373 57.082 -1.709 18717 676 1 2 . 1 1 25 25 ARG CB C 25 29.946 29.946 29.475 0.471 18717 677 1 2 . 1 1 25 25 ARG H H 25 8.850 8.850 8.551 0.299 18717 678 1 2 . 1 1 26 26 LEU N N 26 121.287 121.287 119.157 2.130 18717 679 1 2 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.349 -0.091 18717 680 1 2 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.381 1.215 18717 681 1 2 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.267 -0.522 18717 682 1 2 . 1 1 26 26 LEU H H 26 8.017 8.017 7.859 0.158 18717 683 1 2 . 1 1 27 27 THR N N 27 110.943 110.943 112.445 -1.502 18717 684 1 2 . 1 1 27 27 THR HA H 27 4.626 4.626 4.619 0.007 18717 685 1 2 . 1 1 27 27 THR CA C 27 58.272 58.272 60.894 -2.622 18717 686 1 2 . 1 1 27 27 THR H H 27 7.129 7.129 7.977 -0.848 18717 687 1 2 . 1 1 28 28 LEU N N 28 124.601 124.601 124.134 0.467 18717 688 1 2 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.355 -0.128 18717 689 1 2 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.429 -1.595 18717 690 1 2 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.956 -2.044 18717 691 1 2 . 1 1 28 28 LEU H H 28 8.404 8.404 8.255 0.149 18717 692 1 2 . 1 1 29 29 GLU N N 29 117.021 117.021 118.004 -0.983 18717 693 1 2 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.815 0.071 18717 694 1 2 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.505 0.462 18717 695 1 2 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.333 -0.520 18717 696 1 2 . 1 1 29 29 GLU H H 29 8.361 8.361 8.711 -0.350 18717 697 1 2 . 1 1 30 30 MET N N 30 119.159 119.159 117.786 1.373 18717 698 1 2 . 1 1 30 30 MET HA H 30 3.999 3.999 4.455 -0.456 18717 699 1 2 . 1 1 30 30 MET CA C 30 58.946 58.946 57.558 1.388 18717 700 1 2 . 1 1 30 30 MET CB C 30 31.941 31.941 31.974 -0.034 18717 701 1 2 . 1 1 30 30 MET H H 30 7.541 7.541 7.633 -0.092 18717 702 1 2 . 1 1 31 31 MET N N 31 117.316 117.316 118.157 -0.841 18717 703 1 2 . 1 1 31 31 MET HA H 31 3.833 3.833 4.142 -0.309 18717 704 1 2 . 1 1 31 31 MET CA C 31 58.966 58.966 59.166 -0.200 18717 705 1 2 . 1 1 31 31 MET CB C 31 32.253 32.253 32.256 -0.003 18717 706 1 2 . 1 1 31 31 MET H H 31 8.310 8.310 8.054 0.256 18717 707 1 2 . 1 1 32 32 ASN N N 32 116.639 116.639 119.387 -2.748 18717 708 1 2 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.415 0.543 18717 709 1 2 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.122 -2.847 18717 710 1 2 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.702 -1.787 18717 711 1 2 . 1 1 32 32 ASN H H 32 8.728 8.728 8.669 0.059 18717 712 1 2 . 1 1 33 33 GLU N N 33 125.338 125.338 119.279 6.059 18717 713 1 2 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.213 -0.027 18717 714 1 2 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.709 0.802 18717 715 1 2 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.453 -0.225 18717 716 1 2 . 1 1 33 33 GLU H H 33 7.918 7.918 7.941 -0.023 18717 717 1 2 . 1 1 34 34 ILE N N 34 119.962 119.962 121.859 -1.897 18717 718 1 2 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.838 -0.367 18717 719 1 2 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.355 0.439 18717 720 1 2 . 1 1 34 34 ILE CB C 34 37.922 37.922 38.271 -0.349 18717 721 1 2 . 1 1 34 34 ILE H H 34 7.576 7.576 7.604 -0.028 18717 722 1 2 . 1 1 35 35 VAL N N 35 119.021 119.021 118.015 1.006 18717 723 1 2 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.730 -0.155 18717 724 1 2 . 1 1 35 35 VAL CA C 35 66.145 66.145 66.164 -0.019 18717 725 1 2 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.314 0.185 18717 726 1 2 . 1 1 35 35 VAL H H 35 8.657 8.657 8.534 0.123 18717 727 1 2 . 1 1 36 36 SER N N 36 114.977 114.977 117.199 -2.222 18717 728 1 2 . 1 1 36 36 SER HA H 36 4.171 4.171 4.557 -0.386 18717 729 1 2 . 1 1 36 36 SER CA C 36 61.604 61.604 61.153 0.451 18717 730 1 2 . 1 1 36 36 SER CB C 36 62.415 62.415 63.266 -0.851 18717 731 1 2 . 1 1 36 36 SER H H 36 8.175 8.175 7.802 0.373 18717 732 1 2 . 1 1 37 37 LYS N N 37 119.000 119.000 121.671 -2.671 18717 733 1 2 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.109 0.068 18717 734 1 2 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.707 -1.552 18717 735 1 2 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.094 -1.714 18717 736 1 2 . 1 1 37 37 LYS H H 37 7.283 7.283 8.006 -0.723 18717 737 1 2 . 1 1 38 38 MET N N 38 119.061 119.061 118.683 0.378 18717 738 1 2 . 1 1 38 38 MET HA H 38 3.430 3.430 3.779 -0.349 18717 739 1 2 . 1 1 38 38 MET CA C 38 59.676 59.676 60.264 -0.588 18717 740 1 2 . 1 1 38 38 MET CB C 38 31.961 31.961 32.660 -0.699 18717 741 1 2 . 1 1 38 38 MET H H 38 7.740 7.740 8.041 -0.301 18717 742 1 2 . 1 1 39 39 ASP N N 39 118.445 118.445 118.486 -0.041 18717 743 1 2 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.457 -0.367 18717 744 1 2 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.483 1.290 18717 745 1 2 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.392 2.750 18717 746 1 2 . 1 1 39 39 ASP H H 39 8.603 8.603 8.073 0.530 18717 747 1 2 . 1 1 40 40 ASP N N 40 117.427 117.427 121.080 -3.653 18717 748 1 2 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.388 -0.199 18717 749 1 2 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.327 -0.000 18717 750 1 2 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.725 0.316 18717 751 1 2 . 1 1 40 40 ASP H H 40 8.397 8.397 7.768 0.629 18717 752 1 2 . 1 1 41 41 PHE N N 41 119.507 119.507 120.268 -0.761 18717 753 1 2 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.201 -0.230 18717 754 1 2 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.251 1.911 18717 755 1 2 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.015 0.483 18717 756 1 2 . 1 1 41 41 PHE H H 41 8.248 8.248 7.928 0.320 18717 757 1 2 . 1 1 42 42 LEU N N 42 118.072 118.072 120.533 -2.461 18717 758 1 2 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.173 -0.448 18717 759 1 2 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.747 -0.579 18717 760 1 2 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.289 0.360 18717 761 1 2 . 1 1 42 42 LEU H H 42 8.203 8.203 8.410 -0.207 18717 762 1 2 . 1 1 43 43 MET N N 43 121.878 121.878 118.925 2.953 18717 763 1 2 . 1 1 43 43 MET HA H 43 4.063 4.063 4.137 -0.074 18717 764 1 2 . 1 1 43 43 MET CA C 43 57.664 57.664 59.190 -1.526 18717 765 1 2 . 1 1 43 43 MET CB C 43 30.833 30.833 32.647 -1.814 18717 766 1 2 . 1 1 43 43 MET H H 43 9.073 9.073 8.544 0.529 18717 767 1 2 . 1 1 44 44 LYS N N 44 122.276 122.276 119.345 2.931 18717 768 1 2 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.032 -0.167 18717 769 1 2 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.313 0.171 18717 770 1 2 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.145 -0.620 18717 771 1 2 . 1 1 44 44 LYS H H 44 7.678 7.678 7.837 -0.159 18717 772 1 2 . 1 1 46 46 SER N N 46 113.504 113.504 112.997 0.507 18717 773 1 2 . 1 1 46 46 SER HA H 46 3.744 3.744 4.062 -0.318 18717 774 1 2 . 1 1 46 46 SER CA C 46 61.358 61.358 61.232 0.126 18717 775 1 2 . 1 1 46 46 SER CB C 46 62.674 62.674 62.899 -0.225 18717 776 1 2 . 1 1 46 46 SER H H 46 8.467 8.467 7.971 0.496 18717 777 1 2 . 1 1 47 47 LYS N N 47 120.235 120.235 120.704 -0.469 18717 778 1 2 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.123 -0.168 18717 779 1 2 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.570 0.244 18717 780 1 2 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.865 0.148 18717 781 1 2 . 1 1 47 47 LYS H H 47 7.659 7.659 7.450 0.209 18717 782 1 2 . 1 1 48 48 ILE N N 48 120.699 120.699 118.648 2.051 18717 783 1 2 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.892 -0.427 18717 784 1 2 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.309 2.783 18717 785 1 2 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.529 -0.582 18717 786 1 2 . 1 1 48 48 ILE H H 48 7.803 7.803 7.217 0.586 18717 787 1 2 . 1 1 49 49 LEU N N 49 118.686 118.686 118.369 0.317 18717 788 1 2 . 1 1 49 49 LEU HA H 49 4.065 4.065 3.995 0.070 18717 789 1 2 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.630 0.484 18717 790 1 2 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.474 0.119 18717 791 1 2 . 1 1 49 49 LEU H H 49 8.671 8.671 7.437 1.234 18717 792 1 2 . 1 1 50 50 GLY N N 50 103.264 103.264 105.481 -2.217 18717 793 1 2 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.819 -0.273 18717 794 1 2 . 1 1 50 50 GLY H H 50 7.422 7.422 7.763 -0.341 18717 795 1 2 . 1 1 51 51 LYS N N 51 121.616 121.616 119.908 1.708 18717 796 1 2 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.222 0.048 18717 797 1 2 . 1 1 51 51 LYS CA C 51 57.328 57.328 57.186 0.142 18717 798 1 2 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.706 1.470 18717 799 1 2 . 1 1 51 51 LYS H H 51 7.227 7.227 7.341 -0.114 18717 800 1 2 . 1 1 52 52 THR N N 52 112.472 112.472 113.470 -0.998 18717 801 1 2 . 1 1 52 52 THR HA H 52 4.363 4.363 4.648 -0.285 18717 802 1 2 . 1 1 52 52 THR CA C 52 60.280 60.280 60.096 0.184 18717 803 1 2 . 1 1 52 52 THR CB C 52 69.989 69.989 70.728 -0.740 18717 804 1 2 . 1 1 52 52 THR H H 52 8.298 8.298 7.832 0.466 18717 805 1 2 . 1 1 53 53 ASN N N 53 118.660 118.660 119.333 -0.673 18717 806 1 2 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.454 -0.191 18717 807 1 2 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.358 1.208 18717 808 1 2 . 1 1 53 53 ASN CB C 53 38.190 38.190 37.942 0.248 18717 809 1 2 . 1 1 53 53 ASN H H 53 8.739 8.739 8.735 0.004 18717 810 1 2 . 1 1 54 54 LYS N N 54 116.241 116.241 117.835 -1.594 18717 811 1 2 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.140 -0.056 18717 812 1 2 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.624 -0.073 18717 813 1 2 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.057 0.321 18717 814 1 2 . 1 1 54 54 LYS H H 54 7.949 7.949 7.852 0.097 18717 815 1 2 . 1 1 55 55 GLN N N 55 116.389 116.389 116.750 -0.361 18717 816 1 2 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.297 -0.114 18717 817 1 2 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.539 0.082 18717 818 1 2 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.174 0.349 18717 819 1 2 . 1 1 55 55 GLN H H 55 7.492 7.492 7.699 -0.207 18717 820 1 2 . 1 1 56 56 LEU N N 56 120.014 120.014 121.306 -1.292 18717 821 1 2 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.195 0.252 18717 822 1 2 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.867 -0.542 18717 823 1 2 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.329 0.695 18717 824 1 2 . 1 1 56 56 LEU H H 56 7.137 7.137 8.065 -0.928 18717 825 1 2 . 1 1 57 57 THR N N 57 115.673 115.673 115.633 0.040 18717 826 1 2 . 1 1 57 57 THR HA H 57 4.491 4.491 4.631 -0.140 18717 827 1 2 . 1 1 57 57 THR CA C 57 59.638 59.638 59.617 0.021 18717 828 1 2 . 1 1 57 57 THR CB C 57 71.233 71.233 71.026 0.207 18717 829 1 2 . 1 1 57 57 THR H H 57 8.986 8.986 7.914 1.072 18717 830 1 2 . 1 1 58 58 ARG N N 58 121.180 121.180 120.832 0.348 18717 831 1 2 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.003 -0.126 18717 832 1 2 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.416 0.401 18717 833 1 2 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.953 -0.622 18717 834 1 2 . 1 1 58 58 ARG H H 58 8.783 8.783 8.848 -0.065 18717 835 1 2 . 1 1 59 59 SER N N 59 113.863 113.863 113.766 0.097 18717 836 1 2 . 1 1 59 59 SER HA H 59 4.116 4.116 4.396 -0.280 18717 837 1 2 . 1 1 59 59 SER CA C 59 60.988 60.988 61.845 -0.857 18717 838 1 2 . 1 1 59 59 SER CB C 59 62.156 62.156 62.699 -0.543 18717 839 1 2 . 1 1 59 59 SER H H 59 8.198 8.198 8.110 0.088 18717 840 1 2 . 1 1 60 60 ASP N N 60 122.780 122.780 122.360 0.420 18717 841 1 2 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.488 -0.436 18717 842 1 2 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.391 0.147 18717 843 1 2 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.845 1.133 18717 844 1 2 . 1 1 60 60 ASP H H 60 7.623 7.623 8.060 -0.437 18717 845 1 2 . 1 1 61 61 ARG N N 61 117.219 117.219 119.995 -2.776 18717 846 1 2 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.128 -0.409 18717 847 1 2 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.462 0.075 18717 848 1 2 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.638 -1.034 18717 849 1 2 . 1 1 61 61 ARG H H 61 7.966 7.966 7.953 0.013 18717 850 1 2 . 1 1 62 62 GLU N N 62 118.341 118.341 120.024 -1.683 18717 851 1 2 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.120 -0.178 18717 852 1 2 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.471 -0.435 18717 853 1 2 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.414 0.069 18717 854 1 2 . 1 1 62 62 GLU H H 62 7.556 7.556 8.318 -0.762 18717 855 1 2 . 1 1 63 63 VAL N N 63 116.650 116.650 116.865 -0.215 18717 856 1 2 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.892 -0.311 18717 857 1 2 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.899 -1.282 18717 858 1 2 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.744 -1.462 18717 859 1 2 . 1 1 63 63 VAL H H 63 7.398 7.398 7.702 -0.304 18717 860 1 2 . 1 1 64 64 LEU N N 64 121.502 121.502 121.161 0.341 18717 861 1 2 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.062 -0.354 18717 862 1 2 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.006 -0.139 18717 863 1 2 . 1 1 64 64 LEU CB C 64 41.936 41.936 40.879 1.057 18717 864 1 2 . 1 1 64 64 LEU H H 64 7.889 7.889 7.869 0.020 18717 865 1 2 . 1 1 65 65 ASP N N 65 119.200 119.200 119.118 0.082 18717 866 1 2 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.365 0.027 18717 867 1 2 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.873 -0.611 18717 868 1 2 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.800 -1.075 18717 869 1 2 . 1 1 65 65 ASP H H 65 7.846 7.846 8.034 -0.188 18717 870 1 2 . 1 1 66 66 ASN N N 66 120.252 120.252 119.453 0.799 18717 871 1 2 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.802 -0.299 18717 872 1 2 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.036 0.054 18717 873 1 2 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.972 -0.953 18717 874 1 2 . 1 1 66 66 ASN H H 66 7.480 7.480 7.983 -0.503 18717 875 1 2 . 1 1 67 67 TRP N N 67 122.830 122.830 122.848 -0.018 18717 876 1 2 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.338 0.161 18717 877 1 2 . 1 1 67 67 TRP CA C 67 58.287 58.287 62.199 -3.912 18717 878 1 2 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.378 -1.314 18717 879 1 2 . 1 1 67 67 TRP H H 67 8.730 8.730 8.770 -0.040 18717 880 1 2 . 1 1 68 68 ARG N N 68 120.279 120.279 117.357 2.922 18717 881 1 2 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.965 0.878 18717 882 1 2 . 1 1 68 68 ARG CA C 68 58.177 58.177 59.303 -1.126 18717 883 1 2 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.739 -1.433 18717 884 1 2 . 1 1 68 68 ARG H H 68 7.976 7.976 8.208 -0.232 18717 885 1 2 . 1 1 69 69 GLU N N 69 121.656 121.656 121.266 0.390 18717 886 1 2 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.228 0.054 18717 887 1 2 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.924 0.381 18717 888 1 2 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.490 0.492 18717 889 1 2 . 1 1 69 69 GLU H H 69 8.676 8.676 7.575 1.101 18717 890 1 2 . 1 1 70 70 LEU N N 70 120.066 120.066 119.872 0.194 18717 891 1 2 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.229 -0.094 18717 892 1 2 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.072 -0.071 18717 893 1 2 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.225 0.145 18717 894 1 2 . 1 1 70 70 LEU H H 70 7.963 7.963 8.449 -0.486 18717 895 1 2 . 1 1 71 71 GLU N N 71 118.326 118.326 119.096 -0.770 18717 896 1 2 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.040 -0.475 18717 897 1 2 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.026 0.292 18717 898 1 2 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.199 0.971 18717 899 1 2 . 1 1 71 71 GLU H H 71 8.278 8.278 8.089 0.189 18717 900 1 2 . 1 1 72 72 MET N N 72 117.881 117.881 114.550 3.331 18717 901 1 2 . 1 1 72 72 MET HA H 72 4.163 4.163 4.575 -0.412 18717 902 1 2 . 1 1 72 72 MET CA C 72 57.906 57.906 57.444 0.462 18717 903 1 2 . 1 1 72 72 MET CB C 72 32.006 32.006 33.102 -1.096 18717 904 1 2 . 1 1 72 72 MET H H 72 7.966 7.966 7.550 0.416 18717 905 1 2 . 1 1 73 73 LYS N N 73 119.844 119.844 119.036 0.808 18717 906 1 2 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.307 -0.250 18717 907 1 2 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.161 0.956 18717 908 1 2 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.596 -0.203 18717 909 1 2 . 1 1 73 73 LYS H H 73 7.959 7.959 7.708 0.251 18717 910 1 2 . 1 1 74 74 ALA N N 74 120.588 120.588 119.375 1.213 18717 911 1 2 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.407 -0.390 18717 912 1 2 . 1 1 74 74 ALA CA C 74 53.110 53.110 51.952 1.158 18717 913 1 2 . 1 1 74 74 ALA CB C 74 18.496 18.496 18.634 -0.138 18717 914 1 2 . 1 1 74 74 ALA H H 74 7.504 7.504 7.535 -0.031 18717 915 1 2 . 1 1 75 75 ARG N N 75 111.895 111.895 116.213 -4.318 18717 916 1 2 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.885 -0.080 18717 917 1 2 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.409 -0.036 18717 918 1 2 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.150 -0.754 18717 919 1 2 . 1 1 75 75 ARG H H 75 7.550 7.550 8.054 -0.504 18717 920 1 2 . 1 1 76 76 LYS N N 76 114.585 114.585 116.323 -1.738 18717 921 1 2 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.306 -0.192 18717 922 1 2 . 1 1 76 76 LYS CA C 76 55.502 55.502 56.048 -0.546 18717 923 1 2 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.587 -2.311 18717 924 1 2 . 1 1 76 76 LYS H H 76 7.810 7.810 7.926 -0.116 18717 925 1 2 . 1 1 77 77 ARG N N 77 119.199 119.199 121.335 -2.136 18717 926 1 2 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.467 -0.419 18717 927 1 2 . 1 1 77 77 ARG CA C 77 55.690 55.690 54.547 1.143 18717 928 1 2 . 1 1 77 77 ARG CB C 77 30.476 30.476 28.898 1.578 18717 929 1 2 . 1 1 77 77 ARG H H 77 7.916 7.916 8.416 -0.500 18717 930 1 2 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.183 -0.020 18717 931 1 2 . 1 1 80 80 THR N N 80 110.230 110.230 116.185 -5.955 18717 932 1 2 . 1 1 80 80 THR HA H 80 4.526 4.526 4.393 0.134 18717 933 1 2 . 1 1 80 80 THR CA C 80 58.081 58.081 61.569 -3.488 18717 934 1 2 . 1 1 80 80 THR CB C 80 67.980 67.980 69.914 -1.934 18717 935 1 2 . 1 1 80 80 THR H H 80 6.530 6.530 7.593 -1.063 18717 936 1 2 . 1 1 81 81 THR N N 81 114.552 114.552 118.929 -4.377 18717 937 1 2 . 1 1 81 81 THR HA H 81 4.260 4.260 3.139 1.121 18717 938 1 2 . 1 1 81 81 THR CA C 81 61.767 61.767 63.903 -2.136 18717 939 1 2 . 1 1 81 81 THR CB C 81 68.383 68.383 68.370 0.013 18717 940 1 2 . 1 1 81 81 THR H H 81 7.674 7.674 8.460 -0.786 18717 941 1 2 . 1 1 82 82 LEU N N 82 127.155 127.155 123.974 3.181 18717 942 1 2 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.621 -0.629 18717 943 1 2 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.870 -2.156 18717 944 1 2 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.240 -0.862 18717 945 1 2 . 1 1 82 82 LEU H H 82 8.465 8.465 7.715 0.750 18717 946 1 2 . 1 1 83 83 PHE N N 83 113.552 113.552 117.475 -3.923 18717 947 1 2 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.448 0.474 18717 948 1 2 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.958 -0.293 18717 949 1 2 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.768 1.281 18717 950 1 2 . 1 1 83 83 PHE H H 83 6.370 6.370 7.755 -1.385 18717 951 1 2 . 1 1 84 84 PHE N N 84 116.628 116.628 113.933 2.695 18717 952 1 2 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.199 0.076 18717 953 1 2 . 1 1 84 84 PHE CA C 84 55.351 55.351 55.599 -0.248 18717 954 1 2 . 1 1 84 84 PHE CB C 84 42.823 42.823 40.836 1.987 18717 955 1 2 . 1 1 84 84 PHE H H 84 9.579 9.579 7.767 1.812 18717 956 1 2 . 1 1 85 85 ILE N N 85 113.827 113.827 114.399 -0.572 18717 957 1 2 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.151 -0.009 18717 958 1 2 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.411 -0.126 18717 959 1 2 . 1 1 85 85 ILE CB C 85 41.287 41.287 40.606 0.681 18717 960 1 2 . 1 1 85 85 ILE H H 85 9.410 9.410 8.301 1.109 18717 961 1 2 . 1 1 86 86 GLU N N 86 124.724 124.724 123.765 0.959 18717 962 1 2 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.816 -0.191 18717 963 1 2 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.363 0.353 18717 964 1 2 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.489 -0.479 18717 965 1 2 . 1 1 86 86 GLU H H 86 9.957 9.957 8.704 1.253 18717 966 1 2 . 1 1 87 87 THR N N 87 106.336 106.336 110.925 -4.589 18717 967 1 2 . 1 1 87 87 THR HA H 87 3.695 3.695 4.156 -0.461 18717 968 1 2 . 1 1 87 87 THR CA C 87 63.680 63.680 64.425 -0.745 18717 969 1 2 . 1 1 87 87 THR CB C 87 67.530 67.530 67.957 -0.427 18717 970 1 2 . 1 1 87 87 THR H H 87 7.659 7.659 7.984 -0.325 18717 971 1 2 . 1 1 88 88 ASP N N 88 119.814 119.814 119.835 -0.021 18717 972 1 2 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.857 -0.643 18717 973 1 2 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.195 1.303 18717 974 1 2 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.914 -0.833 18717 975 1 2 . 1 1 88 88 ASP H H 88 7.605 7.605 8.220 -0.615 18717 976 1 2 . 1 1 89 89 ILE N N 89 113.246 113.246 118.181 -4.935 18717 977 1 2 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.248 -0.434 18717 978 1 2 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.255 -2.748 18717 979 1 2 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.184 -2.384 18717 980 1 2 . 1 1 89 89 ILE H H 89 6.538 6.538 7.238 -0.700 18717 981 1 2 . 1 1 90 90 ARG N N 90 119.499 119.499 123.282 -3.783 18717 982 1 2 . 1 1 90 90 ARG HA H 90 3.616 3.616 3.971 -0.355 18717 983 1 2 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.207 0.858 18717 984 1 2 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.364 0.528 18717 985 1 2 . 1 1 90 90 ARG H H 90 7.721 7.721 8.441 -0.720 18717 986 1 2 . 1 1 92 92 MET N N 92 113.492 113.492 116.606 -3.114 18717 987 1 2 . 1 1 92 92 MET HA H 92 4.175 4.175 4.438 -0.263 18717 988 1 2 . 1 1 92 92 MET CA C 92 55.799 55.799 56.051 -0.252 18717 989 1 2 . 1 1 92 92 MET CB C 92 33.950 33.950 34.369 -0.419 18717 990 1 2 . 1 1 92 92 MET H H 92 7.549 7.549 7.772 -0.223 18717 991 1 2 . 1 1 93 93 LEU N N 93 117.943 117.943 118.155 -0.212 18717 992 1 2 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.200 0.234 18717 993 1 2 . 1 1 93 93 LEU CA C 93 52.855 52.855 55.592 -2.737 18717 994 1 2 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.598 0.261 18717 995 1 2 . 1 1 93 93 LEU H H 93 7.297 7.297 7.363 -0.066 18717 996 1 2 . 1 1 94 94 GLN N N 94 121.536 121.536 116.942 4.594 18717 997 1 2 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.371 -0.203 18717 998 1 2 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.269 0.822 18717 999 1 2 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.290 -2.127 18717 1000 1 2 . 1 1 94 94 GLN H H 94 8.675 8.675 8.100 0.575 18717 1001 1 2 . 1 1 95 95 ASP N N 95 123.380 123.380 126.448 -3.068 18717 1002 1 2 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.355 -0.471 18717 1003 1 2 . 1 1 95 95 ASP CA C 95 58.493 58.493 57.018 1.475 18717 1004 1 2 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.886 -0.706 18717 1005 1 2 . 1 1 95 95 ASP H H 95 8.804 8.804 8.854 -0.050 18717 1006 1 2 . 1 1 96 96 ARG N N 96 115.337 115.337 117.801 -2.464 18717 1007 1 2 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.347 -0.258 18717 1008 1 2 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.546 1.261 18717 1009 1 2 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.148 0.283 18717 1010 1 2 . 1 1 96 96 ARG H H 96 8.652 8.652 8.116 0.536 18717 1011 1 2 . 1 1 97 97 LEU N N 97 118.485 118.485 120.580 -2.095 18717 1012 1 2 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.283 0.107 18717 1013 1 2 . 1 1 97 97 LEU CA C 97 54.411 54.411 54.768 -0.357 18717 1014 1 2 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.627 1.467 18717 1015 1 2 . 1 1 97 97 LEU H H 97 7.776 7.776 7.500 0.276 18717 1016 1 2 . 1 1 98 98 ARG N N 98 119.863 119.863 116.185 3.678 18717 1017 1 2 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.054 -0.145 18717 1018 1 2 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.535 5.756 18717 1019 1 2 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.415 -0.590 18717 1020 1 2 . 1 1 98 98 ARG H H 98 7.553 7.553 7.439 0.114 18717 1021 1 2 . 1 1 100 100 SER N N 100 111.387 111.387 117.140 -5.753 18717 1022 1 2 . 1 1 100 100 SER HA H 100 4.360 4.360 4.468 -0.108 18717 1023 1 2 . 1 1 100 100 SER CA C 100 59.923 59.923 59.184 0.739 18717 1024 1 2 . 1 1 100 100 SER CB C 100 63.304 63.304 64.077 -0.773 18717 1025 1 2 . 1 1 100 100 SER H H 100 7.616 7.616 8.538 -0.922 18717 1026 1 2 . 1 1 101 101 PHE N N 101 123.367 123.367 123.028 0.339 18717 1027 1 2 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.024 -0.318 18717 1028 1 2 . 1 1 101 101 PHE CA C 101 62.716 62.716 62.332 0.384 18717 1029 1 2 . 1 1 101 101 PHE CB C 101 38.645 38.645 39.060 -0.415 18717 1030 1 2 . 1 1 101 101 PHE H H 101 7.722 7.722 8.325 -0.603 18717 1031 1 2 . 1 1 102 102 ALA N N 102 117.466 117.466 118.224 -0.758 18717 1032 1 2 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.163 -0.287 18717 1033 1 2 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.549 -0.011 18717 1034 1 2 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.137 -0.007 18717 1035 1 2 . 1 1 102 102 ALA H H 102 8.525 8.525 8.774 -0.249 18717 1036 1 2 . 1 1 103 103 LYS N N 103 115.077 115.077 116.930 -1.853 18717 1037 1 2 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.418 -0.353 18717 1038 1 2 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.040 -0.304 18717 1039 1 2 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.102 -1.055 18717 1040 1 2 . 1 1 103 103 LYS H H 103 7.000 7.000 7.843 -0.843 18717 1041 1 2 . 1 1 104 104 ALA N N 104 119.948 119.948 123.015 -3.067 18717 1042 1 2 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.296 -0.488 18717 1043 1 2 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.602 0.397 18717 1044 1 2 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.437 -0.522 18717 1045 1 2 . 1 1 104 104 ALA H H 104 7.955 7.955 7.898 0.057 18717 1046 1 2 . 1 1 105 105 ILE N N 105 116.011 116.011 119.753 -3.742 18717 1047 1 2 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.650 -0.201 18717 1048 1 2 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.962 -0.763 18717 1049 1 2 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.029 -2.032 18717 1050 1 2 . 1 1 105 105 ILE H H 105 7.030 7.030 8.047 -1.017 18717 1051 1 2 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.378 -0.345 18717 1052 1 2 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.835 0.086 18717 1053 1 2 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.989 -0.026 18717 1054 1 2 . 1 1 107 107 CYS N N 107 115.533 115.533 116.108 -0.575 18717 1055 1 2 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.424 -0.550 18717 1056 1 2 . 1 1 107 107 CYS CA C 107 61.937 61.937 60.747 1.190 18717 1057 1 2 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.627 0.277 18717 1058 1 2 . 1 1 107 107 CYS H H 107 6.558 6.558 7.695 -1.137 18717 1059 1 2 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.421 -0.568 18717 1060 1 2 . 1 1 109 109 ARG N N 109 120.576 120.576 118.230 2.346 18717 1061 1 2 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.297 0.095 18717 1062 1 2 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.322 0.139 18717 1063 1 2 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.645 0.622 18717 1064 1 2 . 1 1 109 109 ARG H H 109 8.507 8.507 7.858 0.649 18717 1065 1 2 . 1 1 110 110 HIS N N 110 122.218 122.218 121.549 0.669 18717 1066 1 2 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.309 -0.223 18717 1067 1 2 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.333 1.425 18717 1068 1 2 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.773 1.122 18717 1069 1 2 . 1 1 110 110 HIS H H 110 7.998 7.998 8.234 -0.236 18717 1070 1 2 . 1 1 111 111 ILE N N 111 105.612 105.612 110.392 -4.780 18717 1071 1 2 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.077 0.253 18717 1072 1 2 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.718 -0.125 18717 1073 1 2 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.423 -1.473 18717 1074 1 2 . 1 1 111 111 ILE H H 111 6.904 6.904 7.185 -0.281 18717 1075 1 2 . 1 1 112 112 ARG N N 112 114.782 114.782 117.114 -2.332 18717 1076 1 2 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.098 -0.197 18717 1077 1 2 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.240 0.075 18717 1078 1 2 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.005 -0.765 18717 1079 1 2 . 1 1 112 112 ARG H H 112 7.660 7.660 7.922 -0.262 18717 1080 1 2 . 1 1 113 113 ARG N N 113 114.996 114.996 115.503 -0.507 18717 1081 1 2 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.527 -0.277 18717 1082 1 2 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.567 -0.913 18717 1083 1 2 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.475 -0.353 18717 1084 1 2 . 1 1 113 113 ARG H H 113 8.149 8.149 7.739 0.410 18717 1085 1 2 . 1 1 114 114 ILE N N 114 112.019 112.019 112.984 -0.965 18717 1086 1 2 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.014 -0.140 18717 1087 1 2 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.185 -2.583 18717 1088 1 2 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.635 0.765 18717 1089 1 2 . 1 1 114 114 ILE H H 114 6.810 6.810 7.306 -0.496 18717 1090 1 2 . 1 1 115 115 ARG N N 115 122.894 122.894 118.753 4.141 18717 1091 1 2 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.751 -0.394 18717 1092 1 2 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.643 -0.531 18717 1093 1 2 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.082 -2.024 18717 1094 1 2 . 1 1 115 115 ARG H H 115 8.822 8.822 8.296 0.526 18717 1095 1 2 . 1 1 116 116 GLU N N 116 118.962 118.962 118.624 0.338 18717 1096 1 2 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.825 0.490 18717 1097 1 2 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.737 -1.635 18717 1098 1 2 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.611 2.323 18717 1099 1 2 . 1 1 116 116 GLU H H 116 8.329 8.329 8.374 -0.045 18717 1100 1 2 . 1 1 117 117 GLU N N 117 124.627 124.627 125.098 -0.471 18717 1101 1 2 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.583 -0.052 18717 1102 1 2 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.326 -0.214 18717 1103 1 2 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.791 1.542 18717 1104 1 2 . 1 1 117 117 GLU H H 117 9.028 9.028 8.154 0.874 18717 1105 1 2 . 1 1 118 118 ARG N N 118 127.916 127.916 128.403 -0.487 18717 1106 1 2 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.393 0.219 18717 1107 1 2 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.484 0.309 18717 1108 1 2 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.308 0.833 18717 1109 1 2 . 1 1 118 118 ARG H H 118 8.952 8.952 8.637 0.315 18717 1110 1 2 . 1 1 119 119 CYS N N 119 126.785 126.785 128.233 -1.448 18717 1111 1 2 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.606 0.052 18717 1112 1 2 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.168 -1.720 18717 1113 1 2 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.379 0.813 18717 1114 1 2 . 1 1 119 119 CYS H H 119 8.831 8.831 8.223 0.608 18717 1115 1 2 . 1 1 120 120 GLY N N 120 117.456 117.456 114.659 2.797 18717 1116 1 2 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.144 -0.632 18717 1117 1 2 . 1 1 120 120 GLY H H 120 8.873 8.873 8.434 0.439 18717 1118 1 2 . 1 1 122 122 LEU N N 122 121.777 121.777 117.735 4.042 18717 1119 1 2 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.533 -0.095 18717 1120 1 2 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.883 -0.274 18717 1121 1 2 . 1 1 122 122 LEU CB C 122 44.979 44.979 45.855 -0.876 18717 1122 1 2 . 1 1 122 122 LEU H H 122 7.270 7.270 7.827 -0.557 18717 1123 1 2 . 1 1 123 123 THR N N 123 118.668 118.668 114.814 3.854 18717 1124 1 2 . 1 1 123 123 THR HA H 123 4.407 4.407 4.720 -0.313 18717 1125 1 2 . 1 1 123 123 THR CA C 123 61.769 61.769 61.495 0.274 18717 1126 1 2 . 1 1 123 123 THR CB C 123 69.263 69.263 70.395 -1.132 18717 1127 1 2 . 1 1 123 123 THR H H 123 7.649 7.649 7.989 -0.340 18717 1128 1 2 . 1 1 124 124 PHE N N 124 125.265 125.265 124.372 0.893 18717 1129 1 2 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.340 -1.069 18717 1130 1 2 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.154 1.433 18717 1131 1 2 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.304 0.723 18717 1132 1 2 . 1 1 124 124 PHE H H 124 8.553 8.553 8.124 0.429 18717 1133 1 2 . 1 1 125 125 TYR N N 125 118.544 118.544 116.088 2.456 18717 1134 1 2 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.771 0.515 18717 1135 1 2 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.687 -0.937 18717 1136 1 2 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.769 -0.651 18717 1137 1 2 . 1 1 125 125 TYR H H 125 8.616 8.616 8.129 0.487 18717 1138 1 2 . 1 1 126 126 TYR N N 126 115.848 115.848 117.788 -1.940 18717 1139 1 2 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.395 -0.135 18717 1140 1 2 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.023 0.905 18717 1141 1 2 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.712 -1.770 18717 1142 1 2 . 1 1 126 126 TYR H H 126 8.357 8.357 7.527 0.830 18717 1143 1 2 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.604 0.018 18717 1144 1 2 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.556 0.373 18717 1145 1 2 . 1 1 128 128 GLY N N 128 108.039 108.039 115.474 -7.435 18717 1146 1 2 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.533 -0.826 18717 1147 1 2 . 1 1 128 128 GLY H H 128 7.730 7.730 7.953 -0.223 18717 1148 1 2 . 1 1 129 129 SER N N 129 114.228 114.228 115.217 -0.989 18717 1149 1 2 . 1 1 129 129 SER HA H 129 4.438 4.438 4.557 -0.119 18717 1150 1 2 . 1 1 129 129 SER CA C 129 57.566 57.566 58.779 -1.213 18717 1151 1 2 . 1 1 129 129 SER CB C 129 63.772 63.772 63.426 0.346 18717 1152 1 2 . 1 1 129 129 SER H H 129 8.102 8.102 8.358 -0.256 18717 1153 1 3 . 1 1 3 3 ASP N N 3 120.763 120.763 118.738 2.025 18717 1154 1 3 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.536 -0.049 18717 1155 1 3 . 1 1 3 3 ASP CA C 3 54.131 54.131 54.721 -0.590 18717 1156 1 3 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.786 0.101 18717 1157 1 3 . 1 1 3 3 ASP H H 3 8.327 8.327 8.224 0.103 18717 1158 1 3 . 1 1 4 4 ILE N N 4 121.147 121.147 118.896 2.251 18717 1159 1 3 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.549 -0.504 18717 1160 1 3 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.588 2.135 18717 1161 1 3 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.012 -1.552 18717 1162 1 3 . 1 1 4 4 ILE H H 4 7.971 7.971 7.897 0.074 18717 1163 1 3 . 1 1 5 5 ARG N N 5 123.685 123.685 122.209 1.476 18717 1164 1 3 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.156 0.315 18717 1165 1 3 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.247 -2.828 18717 1166 1 3 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.558 -0.416 18717 1167 1 3 . 1 1 5 5 ARG H H 5 8.067 8.067 8.468 -0.401 18717 1168 1 3 . 1 1 6 6 ILE N N 6 124.881 124.881 115.768 9.113 18717 1169 1 3 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.456 -0.673 18717 1170 1 3 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.333 2.108 18717 1171 1 3 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.517 -1.333 18717 1172 1 3 . 1 1 6 6 ILE H H 6 9.083 9.083 8.691 0.392 18717 1173 1 3 . 1 1 7 7 VAL N N 7 120.527 120.527 115.885 4.642 18717 1174 1 3 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.540 -0.449 18717 1175 1 3 . 1 1 7 7 VAL CA C 7 58.665 58.665 59.285 -0.620 18717 1176 1 3 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.392 -1.700 18717 1177 1 3 . 1 1 7 7 VAL H H 7 9.067 9.067 7.902 1.165 18717 1178 1 3 . 1 1 9 9 GLN N N 9 120.479 120.479 118.204 2.275 18717 1179 1 3 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.325 -0.465 18717 1180 1 3 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.554 0.345 18717 1181 1 3 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.305 0.517 18717 1182 1 3 . 1 1 9 9 GLN H H 9 8.305 8.305 8.288 0.017 18717 1183 1 3 . 1 1 10 10 ILE N N 10 125.746 125.746 117.576 8.170 18717 1184 1 3 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.518 -0.468 18717 1185 1 3 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.901 0.386 18717 1186 1 3 . 1 1 10 10 ILE CB C 10 37.150 37.150 38.998 -1.848 18717 1187 1 3 . 1 1 10 10 ILE H H 10 10.040 10.040 8.243 1.797 18717 1188 1 3 . 1 1 11 11 THR HA H 11 4.459 4.459 4.450 0.009 18717 1189 1 3 . 1 1 11 11 THR CA C 11 60.124 60.124 60.853 -0.729 18717 1190 1 3 . 1 1 11 11 THR CB C 11 71.036 71.036 70.073 0.963 18717 1191 1 3 . 1 1 12 12 ASP N N 12 121.634 121.634 120.665 0.969 18717 1192 1 3 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.481 -0.248 18717 1193 1 3 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.400 0.391 18717 1194 1 3 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.465 0.380 18717 1195 1 3 . 1 1 12 12 ASP H H 12 8.892 8.892 8.742 0.150 18717 1196 1 3 . 1 1 13 13 GLU N N 13 117.207 117.207 117.358 -0.151 18717 1197 1 3 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.211 -0.362 18717 1198 1 3 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.389 1.294 18717 1199 1 3 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.659 -0.504 18717 1200 1 3 . 1 1 13 13 GLU H H 13 8.421 8.421 8.543 -0.122 18717 1201 1 3 . 1 1 14 14 GLU N N 14 118.579 118.579 116.891 1.688 18717 1202 1 3 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.362 -0.385 18717 1203 1 3 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.111 1.382 18717 1204 1 3 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.288 1.127 18717 1205 1 3 . 1 1 14 14 GLU H H 14 7.647 7.647 7.699 -0.052 18717 1206 1 3 . 1 1 15 15 PHE N N 15 122.867 122.867 122.111 0.756 18717 1207 1 3 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.394 -0.549 18717 1208 1 3 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.864 0.142 18717 1209 1 3 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.744 0.113 18717 1210 1 3 . 1 1 15 15 PHE H H 15 8.823 8.823 8.831 -0.008 18717 1211 1 3 . 1 1 16 16 LYS N N 16 115.192 115.192 116.540 -1.348 18717 1212 1 3 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.046 -0.083 18717 1213 1 3 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.886 0.200 18717 1214 1 3 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.294 1.314 18717 1215 1 3 . 1 1 16 16 LYS H H 16 7.742 7.742 7.798 -0.056 18717 1216 1 3 . 1 1 17 17 THR N N 17 108.709 108.709 111.568 -2.859 18717 1217 1 3 . 1 1 17 17 THR HA H 17 4.269 4.269 4.206 0.063 18717 1218 1 3 . 1 1 17 17 THR CA C 17 61.767 61.767 63.239 -1.472 18717 1219 1 3 . 1 1 17 17 THR CB C 17 69.956 69.956 69.094 0.862 18717 1220 1 3 . 1 1 17 17 THR H H 17 7.518 7.518 7.248 0.270 18717 1221 1 3 . 1 1 18 18 ILE N N 18 124.707 124.707 123.629 1.078 18717 1222 1 3 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.424 -0.812 18717 1223 1 3 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.287 1.114 18717 1224 1 3 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.479 -1.196 18717 1225 1 3 . 1 1 18 18 ILE H H 18 7.063 7.063 7.249 -0.186 18717 1226 1 3 . 1 1 20 20 LYS N N 20 124.646 124.646 121.926 2.720 18717 1227 1 3 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.875 -0.166 18717 1228 1 3 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.445 -0.265 18717 1229 1 3 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.735 -0.296 18717 1230 1 3 . 1 1 20 20 LYS H H 20 8.639 8.639 8.571 0.068 18717 1231 1 3 . 1 1 21 21 TYR N N 21 115.093 115.093 116.953 -1.860 18717 1232 1 3 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.302 0.012 18717 1233 1 3 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.841 -0.927 18717 1234 1 3 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.373 -1.196 18717 1235 1 3 . 1 1 21 21 TYR H H 21 7.897 7.897 7.747 0.150 18717 1236 1 3 . 1 1 22 22 GLN N N 22 119.745 119.745 116.638 3.107 18717 1237 1 3 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.311 -0.385 18717 1238 1 3 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.545 0.061 18717 1239 1 3 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.872 -0.407 18717 1240 1 3 . 1 1 22 22 GLN H H 22 6.759 6.759 8.039 -1.280 18717 1241 1 3 . 1 1 23 23 LEU N N 23 118.619 118.619 118.412 0.207 18717 1242 1 3 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.023 -0.171 18717 1243 1 3 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.781 -0.212 18717 1244 1 3 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.287 1.303 18717 1245 1 3 . 1 1 23 23 LEU H H 23 7.115 7.115 7.596 -0.481 18717 1246 1 3 . 1 1 24 24 GLY N N 24 103.606 103.606 107.479 -3.873 18717 1247 1 3 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.798 0.124 18717 1248 1 3 . 1 1 24 24 GLY H H 24 7.541 7.541 8.234 -0.693 18717 1249 1 3 . 1 1 25 25 ARG N N 25 126.033 126.033 123.798 2.235 18717 1250 1 3 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.711 -0.431 18717 1251 1 3 . 1 1 25 25 ARG CA C 25 55.373 55.373 54.903 0.470 18717 1252 1 3 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.807 -0.861 18717 1253 1 3 . 1 1 25 25 ARG H H 25 8.850 8.850 8.135 0.715 18717 1254 1 3 . 1 1 26 26 LEU N N 26 121.287 121.287 119.875 1.412 18717 1255 1 3 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.490 -0.232 18717 1256 1 3 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.617 1.979 18717 1257 1 3 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.046 -1.301 18717 1258 1 3 . 1 1 26 26 LEU H H 26 8.017 8.017 7.415 0.602 18717 1259 1 3 . 1 1 27 27 THR N N 27 110.943 110.943 114.649 -3.706 18717 1260 1 3 . 1 1 27 27 THR HA H 27 4.626 4.626 4.464 0.162 18717 1261 1 3 . 1 1 27 27 THR CA C 27 58.272 58.272 60.873 -2.601 18717 1262 1 3 . 1 1 27 27 THR H H 27 7.129 7.129 8.039 -0.910 18717 1263 1 3 . 1 1 28 28 LEU N N 28 124.601 124.601 123.846 0.755 18717 1264 1 3 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.649 -0.422 18717 1265 1 3 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.568 -0.734 18717 1266 1 3 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.641 -1.729 18717 1267 1 3 . 1 1 28 28 LEU H H 28 8.404 8.404 8.077 0.327 18717 1268 1 3 . 1 1 29 29 GLU N N 29 117.021 117.021 118.793 -1.772 18717 1269 1 3 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.952 -0.066 18717 1270 1 3 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.575 0.392 18717 1271 1 3 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.172 -0.359 18717 1272 1 3 . 1 1 29 29 GLU H H 29 8.361 8.361 8.571 -0.210 18717 1273 1 3 . 1 1 30 30 MET N N 30 119.159 119.159 118.474 0.685 18717 1274 1 3 . 1 1 30 30 MET HA H 30 3.999 3.999 4.338 -0.339 18717 1275 1 3 . 1 1 30 30 MET CA C 30 58.946 58.946 58.124 0.822 18717 1276 1 3 . 1 1 30 30 MET CB C 30 31.941 31.941 32.449 -0.508 18717 1277 1 3 . 1 1 30 30 MET H H 30 7.541 7.541 7.454 0.087 18717 1278 1 3 . 1 1 31 31 MET N N 31 117.316 117.316 117.817 -0.501 18717 1279 1 3 . 1 1 31 31 MET HA H 31 3.833 3.833 3.983 -0.150 18717 1280 1 3 . 1 1 31 31 MET CA C 31 58.966 58.966 59.547 -0.581 18717 1281 1 3 . 1 1 31 31 MET CB C 31 32.253 32.253 32.255 -0.002 18717 1282 1 3 . 1 1 31 31 MET H H 31 8.310 8.310 8.094 0.216 18717 1283 1 3 . 1 1 32 32 ASN N N 32 116.639 116.639 119.312 -2.673 18717 1284 1 3 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.392 0.566 18717 1285 1 3 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.815 -2.539 18717 1286 1 3 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.397 -1.482 18717 1287 1 3 . 1 1 32 32 ASN H H 32 8.728 8.728 8.587 0.141 18717 1288 1 3 . 1 1 33 33 GLU N N 33 125.338 125.338 118.621 6.717 18717 1289 1 3 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.147 0.038 18717 1290 1 3 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.848 0.663 18717 1291 1 3 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.413 -0.185 18717 1292 1 3 . 1 1 33 33 GLU H H 33 7.918 7.918 7.872 0.046 18717 1293 1 3 . 1 1 34 34 ILE N N 34 119.962 119.962 121.467 -1.505 18717 1294 1 3 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.645 -0.174 18717 1295 1 3 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.097 0.697 18717 1296 1 3 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.778 0.144 18717 1297 1 3 . 1 1 34 34 ILE H H 34 7.576 7.576 7.572 0.004 18717 1298 1 3 . 1 1 35 35 VAL N N 35 119.021 119.021 118.078 0.943 18717 1299 1 3 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.816 -0.241 18717 1300 1 3 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.669 0.476 18717 1301 1 3 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.256 0.243 18717 1302 1 3 . 1 1 35 35 VAL H H 35 8.657 8.657 8.333 0.324 18717 1303 1 3 . 1 1 36 36 SER N N 36 114.977 114.977 116.463 -1.486 18717 1304 1 3 . 1 1 36 36 SER HA H 36 4.171 4.171 4.161 0.010 18717 1305 1 3 . 1 1 36 36 SER CA C 36 61.604 61.604 61.754 -0.150 18717 1306 1 3 . 1 1 36 36 SER CB C 36 62.415 62.415 62.960 -0.545 18717 1307 1 3 . 1 1 36 36 SER H H 36 8.175 8.175 7.748 0.426 18717 1308 1 3 . 1 1 37 37 LYS N N 37 119.000 119.000 122.008 -3.008 18717 1309 1 3 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.078 0.099 18717 1310 1 3 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.806 -1.651 18717 1311 1 3 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.310 -1.930 18717 1312 1 3 . 1 1 37 37 LYS H H 37 7.283 7.283 8.090 -0.807 18717 1313 1 3 . 1 1 38 38 MET N N 38 119.061 119.061 116.294 2.767 18717 1314 1 3 . 1 1 38 38 MET HA H 38 3.430 3.430 3.853 -0.423 18717 1315 1 3 . 1 1 38 38 MET CA C 38 59.676 59.676 59.669 0.007 18717 1316 1 3 . 1 1 38 38 MET CB C 38 31.961 31.961 32.100 -0.139 18717 1317 1 3 . 1 1 38 38 MET H H 38 7.740 7.740 7.895 -0.155 18717 1318 1 3 . 1 1 39 39 ASP N N 39 118.445 118.445 119.112 -0.667 18717 1319 1 3 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.519 -0.429 18717 1320 1 3 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.189 1.584 18717 1321 1 3 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.694 2.448 18717 1322 1 3 . 1 1 39 39 ASP H H 39 8.603 8.603 8.064 0.539 18717 1323 1 3 . 1 1 40 40 ASP N N 40 117.427 117.427 120.693 -3.266 18717 1324 1 3 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.416 -0.227 18717 1325 1 3 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.124 0.203 18717 1326 1 3 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.581 0.459 18717 1327 1 3 . 1 1 40 40 ASP H H 40 8.397 8.397 7.788 0.609 18717 1328 1 3 . 1 1 41 41 PHE N N 41 119.507 119.507 120.217 -0.710 18717 1329 1 3 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.292 -0.321 18717 1330 1 3 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.203 1.959 18717 1331 1 3 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.144 0.354 18717 1332 1 3 . 1 1 41 41 PHE H H 41 8.248 8.248 7.804 0.444 18717 1333 1 3 . 1 1 42 42 LEU N N 42 118.072 118.072 120.196 -2.124 18717 1334 1 3 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.003 -0.278 18717 1335 1 3 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.808 -0.640 18717 1336 1 3 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.337 0.312 18717 1337 1 3 . 1 1 42 42 LEU H H 42 8.203 8.203 8.228 -0.025 18717 1338 1 3 . 1 1 43 43 MET N N 43 121.878 121.878 118.937 2.941 18717 1339 1 3 . 1 1 43 43 MET HA H 43 4.063 4.063 4.164 -0.101 18717 1340 1 3 . 1 1 43 43 MET CA C 43 57.664 57.664 59.158 -1.494 18717 1341 1 3 . 1 1 43 43 MET CB C 43 30.833 30.833 32.695 -1.862 18717 1342 1 3 . 1 1 43 43 MET H H 43 9.073 9.073 8.379 0.694 18717 1343 1 3 . 1 1 44 44 LYS N N 44 122.276 122.276 118.891 3.385 18717 1344 1 3 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.112 -0.247 18717 1345 1 3 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.403 0.081 18717 1346 1 3 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.267 -0.742 18717 1347 1 3 . 1 1 44 44 LYS H H 44 7.678 7.678 7.890 -0.212 18717 1348 1 3 . 1 1 46 46 SER N N 46 113.504 113.504 113.580 -0.076 18717 1349 1 3 . 1 1 46 46 SER HA H 46 3.744 3.744 4.097 -0.353 18717 1350 1 3 . 1 1 46 46 SER CA C 46 61.358 61.358 61.379 -0.021 18717 1351 1 3 . 1 1 46 46 SER CB C 46 62.674 62.674 63.127 -0.453 18717 1352 1 3 . 1 1 46 46 SER H H 46 8.467 8.467 8.075 0.392 18717 1353 1 3 . 1 1 47 47 LYS N N 47 120.235 120.235 121.470 -1.235 18717 1354 1 3 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.472 -0.517 18717 1355 1 3 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.083 0.731 18717 1356 1 3 . 1 1 47 47 LYS CB C 47 32.013 32.013 32.067 -0.054 18717 1357 1 3 . 1 1 47 47 LYS H H 47 7.659 7.659 7.524 0.135 18717 1358 1 3 . 1 1 48 48 ILE N N 48 120.699 120.699 118.980 1.719 18717 1359 1 3 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.926 -0.461 18717 1360 1 3 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.969 2.123 18717 1361 1 3 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.509 -0.562 18717 1362 1 3 . 1 1 48 48 ILE H H 48 7.803 7.803 7.398 0.405 18717 1363 1 3 . 1 1 49 49 LEU N N 49 118.686 118.686 118.381 0.305 18717 1364 1 3 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.128 -0.063 18717 1365 1 3 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.622 0.492 18717 1366 1 3 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.694 -0.101 18717 1367 1 3 . 1 1 49 49 LEU H H 49 8.671 8.671 7.641 1.030 18717 1368 1 3 . 1 1 50 50 GLY N N 50 103.264 103.264 105.403 -2.139 18717 1369 1 3 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.920 -0.374 18717 1370 1 3 . 1 1 50 50 GLY H H 50 7.422 7.422 7.705 -0.283 18717 1371 1 3 . 1 1 51 51 LYS N N 51 121.616 121.616 120.598 1.018 18717 1372 1 3 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.380 -0.110 18717 1373 1 3 . 1 1 51 51 LYS CA C 51 57.328 57.328 57.077 0.251 18717 1374 1 3 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.999 1.177 18717 1375 1 3 . 1 1 51 51 LYS H H 51 7.227 7.227 7.629 -0.402 18717 1376 1 3 . 1 1 52 52 THR N N 52 112.472 112.472 112.840 -0.368 18717 1377 1 3 . 1 1 52 52 THR HA H 52 4.363 4.363 4.650 -0.287 18717 1378 1 3 . 1 1 52 52 THR CA C 52 60.280 60.280 59.462 0.818 18717 1379 1 3 . 1 1 52 52 THR CB C 52 69.989 69.989 70.392 -0.404 18717 1380 1 3 . 1 1 52 52 THR H H 52 8.298 8.298 7.968 0.330 18717 1381 1 3 . 1 1 53 53 ASN N N 53 118.660 118.660 120.307 -1.647 18717 1382 1 3 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.441 -0.178 18717 1383 1 3 . 1 1 53 53 ASN CA C 53 56.566 56.566 56.124 0.442 18717 1384 1 3 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.096 0.094 18717 1385 1 3 . 1 1 53 53 ASN H H 53 8.739 8.739 8.808 -0.069 18717 1386 1 3 . 1 1 54 54 LYS N N 54 116.241 116.241 118.662 -2.421 18717 1387 1 3 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.113 -0.029 18717 1388 1 3 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.107 -0.556 18717 1389 1 3 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.326 0.052 18717 1390 1 3 . 1 1 54 54 LYS H H 54 7.949 7.949 7.818 0.131 18717 1391 1 3 . 1 1 55 55 GLN N N 55 116.389 116.389 117.209 -0.820 18717 1392 1 3 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.297 -0.114 18717 1393 1 3 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.078 -0.458 18717 1394 1 3 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.877 0.646 18717 1395 1 3 . 1 1 55 55 GLN H H 55 7.492 7.492 7.623 -0.131 18717 1396 1 3 . 1 1 56 56 LEU N N 56 120.014 120.014 120.837 -0.823 18717 1397 1 3 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.198 0.249 18717 1398 1 3 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.914 -0.589 18717 1399 1 3 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.471 0.553 18717 1400 1 3 . 1 1 56 56 LEU H H 56 7.137 7.137 8.140 -1.003 18717 1401 1 3 . 1 1 57 57 THR N N 57 115.673 115.673 116.505 -0.832 18717 1402 1 3 . 1 1 57 57 THR HA H 57 4.491 4.491 4.582 -0.091 18717 1403 1 3 . 1 1 57 57 THR CA C 57 59.638 59.638 59.915 -0.277 18717 1404 1 3 . 1 1 57 57 THR CB C 57 71.233 71.233 70.951 0.282 18717 1405 1 3 . 1 1 57 57 THR H H 57 8.986 8.986 7.875 1.111 18717 1406 1 3 . 1 1 58 58 ARG N N 58 121.180 121.180 120.998 0.182 18717 1407 1 3 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.014 -0.137 18717 1408 1 3 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.553 0.264 18717 1409 1 3 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.783 -0.452 18717 1410 1 3 . 1 1 58 58 ARG H H 58 8.783 8.783 8.759 0.024 18717 1411 1 3 . 1 1 59 59 SER N N 59 113.863 113.863 114.278 -0.415 18717 1412 1 3 . 1 1 59 59 SER HA H 59 4.116 4.116 4.113 0.003 18717 1413 1 3 . 1 1 59 59 SER CA C 59 60.988 60.988 61.763 -0.775 18717 1414 1 3 . 1 1 59 59 SER CB C 59 62.156 62.156 62.740 -0.584 18717 1415 1 3 . 1 1 59 59 SER H H 59 8.198 8.198 8.142 0.056 18717 1416 1 3 . 1 1 60 60 ASP N N 60 122.780 122.780 121.280 1.500 18717 1417 1 3 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.513 -0.461 18717 1418 1 3 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.304 0.233 18717 1419 1 3 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.979 0.999 18717 1420 1 3 . 1 1 60 60 ASP H H 60 7.623 7.623 7.577 0.046 18717 1421 1 3 . 1 1 61 61 ARG N N 61 117.219 117.219 119.661 -2.442 18717 1422 1 3 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.091 -0.372 18717 1423 1 3 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.579 -0.042 18717 1424 1 3 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.572 -0.968 18717 1425 1 3 . 1 1 61 61 ARG H H 61 7.966 7.966 7.824 0.142 18717 1426 1 3 . 1 1 62 62 GLU N N 62 118.341 118.341 120.256 -1.915 18717 1427 1 3 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.051 -0.109 18717 1428 1 3 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.401 -0.365 18717 1429 1 3 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.882 0.601 18717 1430 1 3 . 1 1 62 62 GLU H H 62 7.556 7.556 8.385 -0.829 18717 1431 1 3 . 1 1 63 63 VAL N N 63 116.650 116.650 117.158 -0.508 18717 1432 1 3 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.420 0.161 18717 1433 1 3 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.333 0.284 18717 1434 1 3 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.456 -0.175 18717 1435 1 3 . 1 1 63 63 VAL H H 63 7.398 7.398 7.451 -0.053 18717 1436 1 3 . 1 1 64 64 LEU N N 64 121.502 121.502 121.603 -0.101 18717 1437 1 3 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.282 -0.574 18717 1438 1 3 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.511 -0.644 18717 1439 1 3 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.066 0.870 18717 1440 1 3 . 1 1 64 64 LEU H H 64 7.889 7.889 7.766 0.123 18717 1441 1 3 . 1 1 65 65 ASP N N 65 119.200 119.200 118.839 0.361 18717 1442 1 3 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.356 0.036 18717 1443 1 3 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.696 -0.434 18717 1444 1 3 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.745 -1.020 18717 1445 1 3 . 1 1 65 65 ASP H H 65 7.846 7.846 7.926 -0.080 18717 1446 1 3 . 1 1 66 66 ASN N N 66 120.252 120.252 119.208 1.044 18717 1447 1 3 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.594 -0.091 18717 1448 1 3 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.930 0.160 18717 1449 1 3 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.737 -0.718 18717 1450 1 3 . 1 1 66 66 ASN H H 66 7.480 7.480 7.766 -0.286 18717 1451 1 3 . 1 1 67 67 TRP N N 67 122.830 122.830 120.695 2.135 18717 1452 1 3 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.417 0.082 18717 1453 1 3 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.442 -2.155 18717 1454 1 3 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.650 -0.586 18717 1455 1 3 . 1 1 67 67 TRP H H 67 8.730 8.730 8.291 0.439 18717 1456 1 3 . 1 1 68 68 ARG N N 68 120.279 120.279 118.061 2.218 18717 1457 1 3 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.042 0.801 18717 1458 1 3 . 1 1 68 68 ARG CA C 68 58.177 58.177 59.455 -1.278 18717 1459 1 3 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.701 -1.395 18717 1460 1 3 . 1 1 68 68 ARG H H 68 7.976 7.976 8.160 -0.184 18717 1461 1 3 . 1 1 69 69 GLU N N 69 121.656 121.656 119.612 2.044 18717 1462 1 3 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.267 0.015 18717 1463 1 3 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.792 0.513 18717 1464 1 3 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.314 0.668 18717 1465 1 3 . 1 1 69 69 GLU H H 69 8.676 8.676 7.757 0.919 18717 1466 1 3 . 1 1 70 70 LEU N N 70 120.066 120.066 119.948 0.118 18717 1467 1 3 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.282 -0.147 18717 1468 1 3 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.697 0.304 18717 1469 1 3 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.382 -0.012 18717 1470 1 3 . 1 1 70 70 LEU H H 70 7.963 7.963 7.665 0.298 18717 1471 1 3 . 1 1 71 71 GLU N N 71 118.326 118.326 119.316 -0.990 18717 1472 1 3 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.095 -0.530 18717 1473 1 3 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.170 0.148 18717 1474 1 3 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.494 0.676 18717 1475 1 3 . 1 1 71 71 GLU H H 71 8.278 8.278 8.254 0.024 18717 1476 1 3 . 1 1 72 72 MET N N 72 117.881 117.881 114.640 3.241 18717 1477 1 3 . 1 1 72 72 MET HA H 72 4.163 4.163 4.569 -0.406 18717 1478 1 3 . 1 1 72 72 MET CA C 72 57.906 57.906 57.552 0.354 18717 1479 1 3 . 1 1 72 72 MET CB C 72 32.006 32.006 33.342 -1.336 18717 1480 1 3 . 1 1 72 72 MET H H 72 7.966 7.966 7.623 0.343 18717 1481 1 3 . 1 1 73 73 LYS N N 73 119.844 119.844 118.566 1.278 18717 1482 1 3 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.315 -0.258 18717 1483 1 3 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.501 0.616 18717 1484 1 3 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.389 0.004 18717 1485 1 3 . 1 1 73 73 LYS H H 73 7.959 7.959 7.440 0.519 18717 1486 1 3 . 1 1 74 74 ALA N N 74 120.588 120.588 119.689 0.899 18717 1487 1 3 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.384 -0.367 18717 1488 1 3 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.133 0.977 18717 1489 1 3 . 1 1 74 74 ALA CB C 74 18.496 18.496 18.861 -0.365 18717 1490 1 3 . 1 1 74 74 ALA H H 74 7.504 7.504 7.496 0.008 18717 1491 1 3 . 1 1 75 75 ARG N N 75 111.895 111.895 115.628 -3.733 18717 1492 1 3 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.981 -0.176 18717 1493 1 3 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.317 0.056 18717 1494 1 3 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.854 -0.458 18717 1495 1 3 . 1 1 75 75 ARG H H 75 7.550 7.550 8.080 -0.530 18717 1496 1 3 . 1 1 76 76 LYS N N 76 114.585 114.585 117.668 -3.083 18717 1497 1 3 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.384 -0.270 18717 1498 1 3 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.484 0.018 18717 1499 1 3 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.092 -2.816 18717 1500 1 3 . 1 1 76 76 LYS H H 76 7.810 7.810 7.846 -0.036 18717 1501 1 3 . 1 1 77 77 ARG N N 77 119.199 119.199 122.671 -3.472 18717 1502 1 3 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.430 -0.382 18717 1503 1 3 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.042 0.648 18717 1504 1 3 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.757 0.719 18717 1505 1 3 . 1 1 77 77 ARG H H 77 7.916 7.916 8.393 -0.477 18717 1506 1 3 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.133 0.030 18717 1507 1 3 . 1 1 80 80 THR N N 80 110.230 110.230 112.904 -2.674 18717 1508 1 3 . 1 1 80 80 THR HA H 80 4.526 4.526 4.301 0.225 18717 1509 1 3 . 1 1 80 80 THR CA C 80 58.081 58.081 61.182 -3.101 18717 1510 1 3 . 1 1 80 80 THR CB C 80 67.980 67.980 69.361 -1.380 18717 1511 1 3 . 1 1 80 80 THR H H 80 6.530 6.530 7.962 -1.432 18717 1512 1 3 . 1 1 81 81 THR N N 81 114.552 114.552 116.408 -1.856 18717 1513 1 3 . 1 1 81 81 THR HA H 81 4.260 4.260 4.267 -0.007 18717 1514 1 3 . 1 1 81 81 THR CA C 81 61.767 61.767 61.754 0.013 18717 1515 1 3 . 1 1 81 81 THR CB C 81 68.383 68.383 68.726 -0.343 18717 1516 1 3 . 1 1 81 81 THR H H 81 7.674 7.674 8.241 -0.567 18717 1517 1 3 . 1 1 82 82 LEU N N 82 127.155 127.155 124.933 2.222 18717 1518 1 3 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.308 -0.316 18717 1519 1 3 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.223 -1.509 18717 1520 1 3 . 1 1 82 82 LEU CB C 82 39.378 39.378 41.483 -2.105 18717 1521 1 3 . 1 1 82 82 LEU H H 82 8.465 8.465 7.378 1.087 18717 1522 1 3 . 1 1 83 83 PHE N N 83 113.552 113.552 116.590 -3.038 18717 1523 1 3 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.619 0.303 18717 1524 1 3 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.290 -0.626 18717 1525 1 3 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.336 0.713 18717 1526 1 3 . 1 1 83 83 PHE H H 83 6.370 6.370 6.745 -0.375 18717 1527 1 3 . 1 1 84 84 PHE N N 84 116.628 116.628 115.295 1.333 18717 1528 1 3 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.286 -0.011 18717 1529 1 3 . 1 1 84 84 PHE CA C 84 55.351 55.351 55.405 -0.054 18717 1530 1 3 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.370 1.453 18717 1531 1 3 . 1 1 84 84 PHE H H 84 9.579 9.579 8.104 1.475 18717 1532 1 3 . 1 1 85 85 ILE N N 85 113.827 113.827 114.523 -0.696 18717 1533 1 3 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.094 0.048 18717 1534 1 3 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.499 -0.213 18717 1535 1 3 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.165 0.122 18717 1536 1 3 . 1 1 85 85 ILE H H 85 9.410 9.410 8.260 1.150 18717 1537 1 3 . 1 1 86 86 GLU N N 86 124.724 124.724 124.643 0.081 18717 1538 1 3 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.938 -0.313 18717 1539 1 3 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.632 0.084 18717 1540 1 3 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.591 -0.581 18717 1541 1 3 . 1 1 86 86 GLU H H 86 9.957 9.957 8.787 1.170 18717 1542 1 3 . 1 1 87 87 THR N N 87 106.336 106.336 110.485 -4.149 18717 1543 1 3 . 1 1 87 87 THR HA H 87 3.695 3.695 4.241 -0.546 18717 1544 1 3 . 1 1 87 87 THR CA C 87 63.680 63.680 64.034 -0.354 18717 1545 1 3 . 1 1 87 87 THR CB C 87 67.530 67.530 68.400 -0.870 18717 1546 1 3 . 1 1 87 87 THR H H 87 7.659 7.659 8.335 -0.676 18717 1547 1 3 . 1 1 88 88 ASP N N 88 119.814 119.814 120.186 -0.372 18717 1548 1 3 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.876 -0.662 18717 1549 1 3 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.796 0.702 18717 1550 1 3 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.901 -0.820 18717 1551 1 3 . 1 1 88 88 ASP H H 88 7.605 7.605 8.518 -0.912 18717 1552 1 3 . 1 1 89 89 ILE N N 89 113.246 113.246 118.042 -4.796 18717 1553 1 3 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.379 -0.565 18717 1554 1 3 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.459 -2.952 18717 1555 1 3 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.537 -2.737 18717 1556 1 3 . 1 1 89 89 ILE H H 89 6.538 6.538 7.379 -0.841 18717 1557 1 3 . 1 1 90 90 ARG N N 90 119.499 119.499 123.272 -3.773 18717 1558 1 3 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.157 -0.541 18717 1559 1 3 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.461 0.604 18717 1560 1 3 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.619 0.274 18717 1561 1 3 . 1 1 90 90 ARG H H 90 7.721 7.721 8.579 -0.859 18717 1562 1 3 . 1 1 92 92 MET N N 92 113.492 113.492 116.594 -3.102 18717 1563 1 3 . 1 1 92 92 MET HA H 92 4.175 4.175 4.447 -0.272 18717 1564 1 3 . 1 1 92 92 MET CA C 92 55.799 55.799 56.315 -0.516 18717 1565 1 3 . 1 1 92 92 MET CB C 92 33.950 33.950 34.240 -0.290 18717 1566 1 3 . 1 1 92 92 MET H H 92 7.549 7.549 7.793 -0.244 18717 1567 1 3 . 1 1 93 93 LEU N N 93 117.943 117.943 119.112 -1.169 18717 1568 1 3 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.106 0.328 18717 1569 1 3 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.604 -3.749 18717 1570 1 3 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.238 0.621 18717 1571 1 3 . 1 1 93 93 LEU H H 93 7.297 7.297 7.821 -0.524 18717 1572 1 3 . 1 1 94 94 GLN N N 94 121.536 121.536 116.424 5.112 18717 1573 1 3 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.389 -0.221 18717 1574 1 3 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.244 0.847 18717 1575 1 3 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.597 -2.434 18717 1576 1 3 . 1 1 94 94 GLN H H 94 8.675 8.675 8.164 0.511 18717 1577 1 3 . 1 1 95 95 ASP N N 95 123.380 123.380 126.735 -3.355 18717 1578 1 3 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.384 -0.500 18717 1579 1 3 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.900 1.593 18717 1580 1 3 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.849 -0.669 18717 1581 1 3 . 1 1 95 95 ASP H H 95 8.804 8.804 8.849 -0.045 18717 1582 1 3 . 1 1 96 96 ARG N N 96 115.337 115.337 118.779 -3.442 18717 1583 1 3 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.381 -0.292 18717 1584 1 3 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.684 1.123 18717 1585 1 3 . 1 1 96 96 ARG CB C 96 29.431 29.431 28.974 0.457 18717 1586 1 3 . 1 1 96 96 ARG H H 96 8.652 8.652 8.370 0.282 18717 1587 1 3 . 1 1 97 97 LEU N N 97 118.485 118.485 121.502 -3.017 18717 1588 1 3 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.244 0.146 18717 1589 1 3 . 1 1 97 97 LEU CA C 97 54.411 54.411 54.998 -0.587 18717 1590 1 3 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.717 1.377 18717 1591 1 3 . 1 1 97 97 LEU H H 97 7.776 7.776 7.354 0.422 18717 1592 1 3 . 1 1 98 98 ARG N N 98 119.863 119.863 116.300 3.563 18717 1593 1 3 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.145 -0.236 18717 1594 1 3 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.283 6.008 18717 1595 1 3 . 1 1 98 98 ARG CB C 98 27.825 27.825 29.064 -1.239 18717 1596 1 3 . 1 1 98 98 ARG H H 98 7.553 7.553 7.374 0.179 18717 1597 1 3 . 1 1 100 100 SER N N 100 111.387 111.387 116.473 -5.086 18717 1598 1 3 . 1 1 100 100 SER HA H 100 4.360 4.360 4.377 -0.017 18717 1599 1 3 . 1 1 100 100 SER CA C 100 59.923 59.923 59.553 0.370 18717 1600 1 3 . 1 1 100 100 SER CB C 100 63.304 63.304 64.247 -0.943 18717 1601 1 3 . 1 1 100 100 SER H H 100 7.616 7.616 8.426 -0.810 18717 1602 1 3 . 1 1 101 101 PHE N N 101 123.367 123.367 123.387 -0.020 18717 1603 1 3 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.072 -0.366 18717 1604 1 3 . 1 1 101 101 PHE CA C 101 62.716 62.716 60.897 1.819 18717 1605 1 3 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.701 -0.056 18717 1606 1 3 . 1 1 101 101 PHE H H 101 7.722 7.722 8.422 -0.700 18717 1607 1 3 . 1 1 102 102 ALA N N 102 117.466 117.466 118.401 -0.935 18717 1608 1 3 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.105 -0.229 18717 1609 1 3 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.623 -0.085 18717 1610 1 3 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.218 -0.088 18717 1611 1 3 . 1 1 102 102 ALA H H 102 8.525 8.525 8.776 -0.251 18717 1612 1 3 . 1 1 103 103 LYS N N 103 115.077 115.077 116.476 -1.399 18717 1613 1 3 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.476 -0.411 18717 1614 1 3 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.137 -0.401 18717 1615 1 3 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.104 -1.057 18717 1616 1 3 . 1 1 103 103 LYS H H 103 7.000 7.000 8.010 -1.010 18717 1617 1 3 . 1 1 104 104 ALA N N 104 119.948 119.948 123.266 -3.318 18717 1618 1 3 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.370 -0.562 18717 1619 1 3 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.659 0.340 18717 1620 1 3 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.487 -0.572 18717 1621 1 3 . 1 1 104 104 ALA H H 104 7.955 7.955 7.839 0.116 18717 1622 1 3 . 1 1 105 105 ILE N N 105 116.011 116.011 120.687 -4.676 18717 1623 1 3 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.019 -0.570 18717 1624 1 3 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.770 -0.572 18717 1625 1 3 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.201 -2.204 18717 1626 1 3 . 1 1 105 105 ILE H H 105 7.030 7.030 8.420 -1.390 18717 1627 1 3 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.442 -0.409 18717 1628 1 3 . 1 1 106 106 PRO CA C 106 65.922 65.922 66.010 -0.088 18717 1629 1 3 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.027 -0.064 18717 1630 1 3 . 1 1 107 107 CYS N N 107 115.533 115.533 115.623 -0.090 18717 1631 1 3 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.472 -0.598 18717 1632 1 3 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.746 0.191 18717 1633 1 3 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.287 -0.383 18717 1634 1 3 . 1 1 107 107 CYS H H 107 6.558 6.558 7.877 -1.319 18717 1635 1 3 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.348 -0.495 18717 1636 1 3 . 1 1 109 109 ARG N N 109 120.576 120.576 118.211 2.365 18717 1637 1 3 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.273 0.119 18717 1638 1 3 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.472 -0.011 18717 1639 1 3 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.650 0.617 18717 1640 1 3 . 1 1 109 109 ARG H H 109 8.507 8.507 8.016 0.491 18717 1641 1 3 . 1 1 110 110 HIS N N 110 122.218 122.218 122.072 0.146 18717 1642 1 3 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.367 -0.281 18717 1643 1 3 . 1 1 110 110 HIS CA C 110 60.758 60.758 58.984 1.774 18717 1644 1 3 . 1 1 110 110 HIS CB C 110 30.895 30.895 30.058 0.837 18717 1645 1 3 . 1 1 110 110 HIS H H 110 7.998 7.998 8.438 -0.440 18717 1646 1 3 . 1 1 111 111 ILE N N 111 105.612 105.612 110.673 -5.061 18717 1647 1 3 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.323 0.007 18717 1648 1 3 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.165 -0.572 18717 1649 1 3 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.837 -1.887 18717 1650 1 3 . 1 1 111 111 ILE H H 111 6.904 6.904 7.329 -0.425 18717 1651 1 3 . 1 1 112 112 ARG N N 112 114.782 114.782 117.520 -2.738 18717 1652 1 3 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.086 -0.185 18717 1653 1 3 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.743 0.571 18717 1654 1 3 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.640 -0.400 18717 1655 1 3 . 1 1 112 112 ARG H H 112 7.660 7.660 8.171 -0.511 18717 1656 1 3 . 1 1 113 113 ARG N N 113 114.996 114.996 117.963 -2.967 18717 1657 1 3 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.458 -0.208 18717 1658 1 3 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.227 -0.573 18717 1659 1 3 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.048 0.074 18717 1660 1 3 . 1 1 113 113 ARG H H 113 8.149 8.149 7.870 0.279 18717 1661 1 3 . 1 1 114 114 ILE N N 114 112.019 112.019 111.069 0.950 18717 1662 1 3 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.999 -0.125 18717 1663 1 3 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.254 -2.652 18717 1664 1 3 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.667 0.733 18717 1665 1 3 . 1 1 114 114 ILE H H 114 6.810 6.810 7.315 -0.505 18717 1666 1 3 . 1 1 115 115 ARG N N 115 122.894 122.894 118.503 4.391 18717 1667 1 3 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.690 -0.333 18717 1668 1 3 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.307 -0.195 18717 1669 1 3 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.877 -1.819 18717 1670 1 3 . 1 1 115 115 ARG H H 115 8.822 8.822 8.255 0.567 18717 1671 1 3 . 1 1 116 116 GLU N N 116 118.962 118.962 118.909 0.053 18717 1672 1 3 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.629 0.686 18717 1673 1 3 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.695 -1.593 18717 1674 1 3 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.773 3.161 18717 1675 1 3 . 1 1 116 116 GLU H H 116 8.329 8.329 8.266 0.063 18717 1676 1 3 . 1 1 117 117 GLU N N 117 124.627 124.627 124.880 -0.253 18717 1677 1 3 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.569 -0.038 18717 1678 1 3 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.836 0.276 18717 1679 1 3 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.803 1.530 18717 1680 1 3 . 1 1 117 117 GLU H H 117 9.028 9.028 7.947 1.081 18717 1681 1 3 . 1 1 118 118 ARG N N 118 127.916 127.916 126.571 1.345 18717 1682 1 3 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.275 0.337 18717 1683 1 3 . 1 1 118 118 ARG CA C 118 55.793 55.793 56.191 -0.398 18717 1684 1 3 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.088 1.053 18717 1685 1 3 . 1 1 118 118 ARG H H 118 8.952 8.952 8.606 0.346 18717 1686 1 3 . 1 1 119 119 CYS N N 119 126.785 126.785 125.788 0.997 18717 1687 1 3 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.674 -0.016 18717 1688 1 3 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.566 -1.118 18717 1689 1 3 . 1 1 119 119 CYS CB C 119 28.192 28.192 25.984 2.208 18717 1690 1 3 . 1 1 119 119 CYS H H 119 8.831 8.831 8.151 0.680 18717 1691 1 3 . 1 1 120 120 GLY N N 120 117.456 117.456 114.591 2.865 18717 1692 1 3 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.339 -0.827 18717 1693 1 3 . 1 1 120 120 GLY H H 120 8.873 8.873 7.968 0.905 18717 1694 1 3 . 1 1 122 122 LEU N N 122 121.777 121.777 118.788 2.989 18717 1695 1 3 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.553 -0.115 18717 1696 1 3 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.505 0.104 18717 1697 1 3 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.959 0.021 18717 1698 1 3 . 1 1 122 122 LEU H H 122 7.270 7.270 7.194 0.076 18717 1699 1 3 . 1 1 123 123 THR N N 123 118.668 118.668 113.780 4.888 18717 1700 1 3 . 1 1 123 123 THR HA H 123 4.407 4.407 4.617 -0.210 18717 1701 1 3 . 1 1 123 123 THR CA C 123 61.769 61.769 62.024 -0.255 18717 1702 1 3 . 1 1 123 123 THR CB C 123 69.263 69.263 71.009 -1.746 18717 1703 1 3 . 1 1 123 123 THR H H 123 7.649 7.649 7.880 -0.231 18717 1704 1 3 . 1 1 124 124 PHE N N 124 125.265 125.265 123.868 1.397 18717 1705 1 3 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.454 -1.183 18717 1706 1 3 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.261 1.325 18717 1707 1 3 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.830 0.198 18717 1708 1 3 . 1 1 124 124 PHE H H 124 8.553 8.553 7.993 0.560 18717 1709 1 3 . 1 1 125 125 TYR N N 125 118.544 118.544 114.727 3.817 18717 1710 1 3 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.655 0.631 18717 1711 1 3 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.526 -0.776 18717 1712 1 3 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.735 -0.617 18717 1713 1 3 . 1 1 125 125 TYR H H 125 8.616 8.616 8.078 0.538 18717 1714 1 3 . 1 1 126 126 TYR N N 126 115.848 115.848 117.756 -1.908 18717 1715 1 3 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.336 -0.076 18717 1716 1 3 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.044 0.884 18717 1717 1 3 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.729 -1.787 18717 1718 1 3 . 1 1 126 126 TYR H H 126 8.357 8.357 7.557 0.800 18717 1719 1 3 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.573 0.049 18717 1720 1 3 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.786 0.143 18717 1721 1 3 . 1 1 128 128 GLY N N 128 108.039 108.039 113.703 -5.664 18717 1722 1 3 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.202 -0.495 18717 1723 1 3 . 1 1 128 128 GLY H H 128 7.730 7.730 7.743 -0.013 18717 1724 1 3 . 1 1 129 129 SER N N 129 114.228 114.228 116.756 -2.528 18717 1725 1 3 . 1 1 129 129 SER HA H 129 4.438 4.438 4.918 -0.480 18717 1726 1 3 . 1 1 129 129 SER CA C 129 57.566 57.566 57.183 0.383 18717 1727 1 3 . 1 1 129 129 SER CB C 129 63.772 63.772 63.963 -0.191 18717 1728 1 3 . 1 1 129 129 SER H H 129 8.102 8.102 8.467 -0.365 18717 1729 1 4 . 1 1 3 3 ASP N N 3 120.763 120.763 120.985 -0.222 18717 1730 1 4 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.980 -0.493 18717 1731 1 4 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.671 0.460 18717 1732 1 4 . 1 1 3 3 ASP CB C 3 40.887 40.887 41.366 -0.479 18717 1733 1 4 . 1 1 3 3 ASP H H 3 8.327 8.327 8.447 -0.120 18717 1734 1 4 . 1 1 4 4 ILE N N 4 121.147 121.147 119.482 1.665 18717 1735 1 4 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.401 -0.356 18717 1736 1 4 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.146 1.577 18717 1737 1 4 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.063 -1.603 18717 1738 1 4 . 1 1 4 4 ILE H H 4 7.971 7.971 8.104 -0.133 18717 1739 1 4 . 1 1 5 5 ARG N N 5 123.685 123.685 121.854 1.831 18717 1740 1 4 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.137 0.334 18717 1741 1 4 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.186 -2.767 18717 1742 1 4 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.248 -0.106 18717 1743 1 4 . 1 1 5 5 ARG H H 5 8.067 8.067 8.465 -0.398 18717 1744 1 4 . 1 1 6 6 ILE N N 6 124.881 124.881 121.082 3.799 18717 1745 1 4 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.176 -0.393 18717 1746 1 4 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.726 1.715 18717 1747 1 4 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.116 -0.932 18717 1748 1 4 . 1 1 6 6 ILE H H 6 9.083 9.083 8.614 0.469 18717 1749 1 4 . 1 1 7 7 VAL N N 7 120.527 120.527 114.129 6.398 18717 1750 1 4 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.561 -0.470 18717 1751 1 4 . 1 1 7 7 VAL CA C 7 58.665 58.665 57.799 0.866 18717 1752 1 4 . 1 1 7 7 VAL CB C 7 31.692 31.692 32.958 -1.266 18717 1753 1 4 . 1 1 7 7 VAL H H 7 9.067 9.067 8.339 0.728 18717 1754 1 4 . 1 1 9 9 GLN N N 9 120.479 120.479 118.592 1.887 18717 1755 1 4 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.221 -0.361 18717 1756 1 4 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.213 -0.314 18717 1757 1 4 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.937 0.885 18717 1758 1 4 . 1 1 9 9 GLN H H 9 8.305 8.305 8.380 -0.075 18717 1759 1 4 . 1 1 10 10 ILE N N 10 125.746 125.746 117.255 8.491 18717 1760 1 4 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.559 -0.509 18717 1761 1 4 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.928 0.359 18717 1762 1 4 . 1 1 10 10 ILE CB C 10 37.150 37.150 40.124 -2.974 18717 1763 1 4 . 1 1 10 10 ILE H H 10 10.040 10.040 8.207 1.833 18717 1764 1 4 . 1 1 11 11 THR HA H 11 4.459 4.459 4.493 -0.034 18717 1765 1 4 . 1 1 11 11 THR CA C 11 60.124 60.124 60.476 -0.352 18717 1766 1 4 . 1 1 11 11 THR CB C 11 71.036 71.036 70.367 0.669 18717 1767 1 4 . 1 1 12 12 ASP N N 12 121.634 121.634 120.800 0.834 18717 1768 1 4 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.505 -0.272 18717 1769 1 4 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.206 0.585 18717 1770 1 4 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.497 0.348 18717 1771 1 4 . 1 1 12 12 ASP H H 12 8.892 8.892 8.807 0.085 18717 1772 1 4 . 1 1 13 13 GLU N N 13 117.207 117.207 117.258 -0.051 18717 1773 1 4 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.177 -0.328 18717 1774 1 4 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.807 0.876 18717 1775 1 4 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.388 -0.233 18717 1776 1 4 . 1 1 13 13 GLU H H 13 8.421 8.421 8.615 -0.194 18717 1777 1 4 . 1 1 14 14 GLU N N 14 118.579 118.579 117.424 1.155 18717 1778 1 4 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.477 -0.500 18717 1779 1 4 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.984 1.508 18717 1780 1 4 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.507 0.908 18717 1781 1 4 . 1 1 14 14 GLU H H 14 7.647 7.647 8.014 -0.367 18717 1782 1 4 . 1 1 15 15 PHE N N 15 122.867 122.867 122.554 0.313 18717 1783 1 4 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.281 -0.436 18717 1784 1 4 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.283 -0.277 18717 1785 1 4 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.443 0.414 18717 1786 1 4 . 1 1 15 15 PHE H H 15 8.823 8.823 8.940 -0.117 18717 1787 1 4 . 1 1 16 16 LYS N N 16 115.192 115.192 116.535 -1.343 18717 1788 1 4 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.103 -0.140 18717 1789 1 4 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.692 0.394 18717 1790 1 4 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.177 1.431 18717 1791 1 4 . 1 1 16 16 LYS H H 16 7.742 7.742 7.761 -0.019 18717 1792 1 4 . 1 1 17 17 THR N N 17 108.709 108.709 114.016 -5.307 18717 1793 1 4 . 1 1 17 17 THR HA H 17 4.269 4.269 4.220 0.049 18717 1794 1 4 . 1 1 17 17 THR CA C 17 61.767 61.767 63.620 -1.853 18717 1795 1 4 . 1 1 17 17 THR CB C 17 69.956 69.956 69.170 0.786 18717 1796 1 4 . 1 1 17 17 THR H H 17 7.518 7.518 7.704 -0.186 18717 1797 1 4 . 1 1 18 18 ILE N N 18 124.707 124.707 122.772 1.935 18717 1798 1 4 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.228 -0.616 18717 1799 1 4 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.617 1.784 18717 1800 1 4 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.426 -1.143 18717 1801 1 4 . 1 1 18 18 ILE H H 18 7.063 7.063 7.160 -0.097 18717 1802 1 4 . 1 1 20 20 LYS N N 20 124.646 124.646 122.714 1.932 18717 1803 1 4 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.978 -0.269 18717 1804 1 4 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.312 -0.132 18717 1805 1 4 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.720 -0.281 18717 1806 1 4 . 1 1 20 20 LYS H H 20 8.639 8.639 8.887 -0.248 18717 1807 1 4 . 1 1 21 21 TYR N N 21 115.093 115.093 116.809 -1.716 18717 1808 1 4 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.285 0.029 18717 1809 1 4 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.338 -1.424 18717 1810 1 4 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.829 -1.652 18717 1811 1 4 . 1 1 21 21 TYR H H 21 7.897 7.897 8.270 -0.373 18717 1812 1 4 . 1 1 22 22 GLN N N 22 119.745 119.745 116.573 3.172 18717 1813 1 4 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.311 -0.386 18717 1814 1 4 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.583 0.023 18717 1815 1 4 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.824 -0.359 18717 1816 1 4 . 1 1 22 22 GLN H H 22 6.759 6.759 8.083 -1.324 18717 1817 1 4 . 1 1 23 23 LEU N N 23 118.619 118.619 118.511 0.108 18717 1818 1 4 . 1 1 23 23 LEU HA H 23 3.852 3.852 3.987 -0.135 18717 1819 1 4 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.775 -0.206 18717 1820 1 4 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.260 1.330 18717 1821 1 4 . 1 1 23 23 LEU H H 23 7.115 7.115 7.485 -0.370 18717 1822 1 4 . 1 1 24 24 GLY N N 24 103.606 103.606 107.395 -3.789 18717 1823 1 4 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.719 0.204 18717 1824 1 4 . 1 1 24 24 GLY H H 24 7.541 7.541 8.413 -0.872 18717 1825 1 4 . 1 1 25 25 ARG N N 25 126.033 126.033 123.884 2.149 18717 1826 1 4 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.578 -0.298 18717 1827 1 4 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.126 0.247 18717 1828 1 4 . 1 1 25 25 ARG CB C 25 29.946 29.946 29.845 0.101 18717 1829 1 4 . 1 1 25 25 ARG H H 25 8.850 8.850 8.113 0.737 18717 1830 1 4 . 1 1 26 26 LEU N N 26 121.287 121.287 120.011 1.276 18717 1831 1 4 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.480 -0.222 18717 1832 1 4 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.615 1.981 18717 1833 1 4 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.970 -1.225 18717 1834 1 4 . 1 1 26 26 LEU H H 26 8.017 8.017 7.373 0.644 18717 1835 1 4 . 1 1 27 27 THR N N 27 110.943 110.943 113.752 -2.809 18717 1836 1 4 . 1 1 27 27 THR HA H 27 4.626 4.626 4.562 0.064 18717 1837 1 4 . 1 1 27 27 THR CA C 27 58.272 58.272 60.530 -2.258 18717 1838 1 4 . 1 1 27 27 THR H H 27 7.129 7.129 7.878 -0.749 18717 1839 1 4 . 1 1 28 28 LEU N N 28 124.601 124.601 123.575 1.026 18717 1840 1 4 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.382 -0.155 18717 1841 1 4 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.066 -1.232 18717 1842 1 4 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.798 -1.886 18717 1843 1 4 . 1 1 28 28 LEU H H 28 8.404 8.404 8.126 0.278 18717 1844 1 4 . 1 1 29 29 GLU N N 29 117.021 117.021 118.686 -1.665 18717 1845 1 4 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.924 -0.038 18717 1846 1 4 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.577 0.390 18717 1847 1 4 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.146 -0.333 18717 1848 1 4 . 1 1 29 29 GLU H H 29 8.361 8.361 8.554 -0.193 18717 1849 1 4 . 1 1 30 30 MET N N 30 119.159 119.159 118.555 0.604 18717 1850 1 4 . 1 1 30 30 MET HA H 30 3.999 3.999 4.326 -0.327 18717 1851 1 4 . 1 1 30 30 MET CA C 30 58.946 58.946 58.109 0.837 18717 1852 1 4 . 1 1 30 30 MET CB C 30 31.941 31.941 32.419 -0.478 18717 1853 1 4 . 1 1 30 30 MET H H 30 7.541 7.541 7.569 -0.028 18717 1854 1 4 . 1 1 31 31 MET N N 31 117.316 117.316 118.396 -1.080 18717 1855 1 4 . 1 1 31 31 MET HA H 31 3.833 3.833 3.987 -0.154 18717 1856 1 4 . 1 1 31 31 MET CA C 31 58.966 58.966 59.178 -0.212 18717 1857 1 4 . 1 1 31 31 MET CB C 31 32.253 32.253 32.197 0.056 18717 1858 1 4 . 1 1 31 31 MET H H 31 8.310 8.310 8.027 0.283 18717 1859 1 4 . 1 1 32 32 ASN N N 32 116.639 116.639 119.307 -2.668 18717 1860 1 4 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.378 0.580 18717 1861 1 4 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.016 -2.741 18717 1862 1 4 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.605 -1.690 18717 1863 1 4 . 1 1 32 32 ASN H H 32 8.728 8.728 8.624 0.104 18717 1864 1 4 . 1 1 33 33 GLU N N 33 125.338 125.338 119.142 6.196 18717 1865 1 4 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.140 0.046 18717 1866 1 4 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.708 0.803 18717 1867 1 4 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.527 -0.299 18717 1868 1 4 . 1 1 33 33 GLU H H 33 7.918 7.918 7.927 -0.009 18717 1869 1 4 . 1 1 34 34 ILE N N 34 119.962 119.962 121.692 -1.730 18717 1870 1 4 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.632 -0.161 18717 1871 1 4 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.365 0.429 18717 1872 1 4 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.792 0.130 18717 1873 1 4 . 1 1 34 34 ILE H H 34 7.576 7.576 7.592 -0.016 18717 1874 1 4 . 1 1 35 35 VAL N N 35 119.021 119.021 118.588 0.433 18717 1875 1 4 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.845 -0.270 18717 1876 1 4 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.927 0.218 18717 1877 1 4 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.390 0.109 18717 1878 1 4 . 1 1 35 35 VAL H H 35 8.657 8.657 8.454 0.203 18717 1879 1 4 . 1 1 36 36 SER N N 36 114.977 114.977 115.824 -0.847 18717 1880 1 4 . 1 1 36 36 SER HA H 36 4.171 4.171 4.196 -0.024 18717 1881 1 4 . 1 1 36 36 SER CA C 36 61.604 61.604 61.502 0.102 18717 1882 1 4 . 1 1 36 36 SER CB C 36 62.415 62.415 63.093 -0.678 18717 1883 1 4 . 1 1 36 36 SER H H 36 8.175 8.175 7.827 0.348 18717 1884 1 4 . 1 1 37 37 LYS N N 37 119.000 119.000 122.307 -3.307 18717 1885 1 4 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.035 0.142 18717 1886 1 4 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.902 -1.747 18717 1887 1 4 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.260 -1.880 18717 1888 1 4 . 1 1 37 37 LYS H H 37 7.283 7.283 8.045 -0.762 18717 1889 1 4 . 1 1 38 38 MET N N 38 119.061 119.061 116.443 2.618 18717 1890 1 4 . 1 1 38 38 MET HA H 38 3.430 3.430 3.841 -0.411 18717 1891 1 4 . 1 1 38 38 MET CA C 38 59.676 59.676 59.511 0.165 18717 1892 1 4 . 1 1 38 38 MET CB C 38 31.961 31.961 32.099 -0.138 18717 1893 1 4 . 1 1 38 38 MET H H 38 7.740 7.740 7.901 -0.161 18717 1894 1 4 . 1 1 39 39 ASP N N 39 118.445 118.445 119.058 -0.613 18717 1895 1 4 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.535 -0.445 18717 1896 1 4 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.137 1.636 18717 1897 1 4 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.783 2.359 18717 1898 1 4 . 1 1 39 39 ASP H H 39 8.603 8.603 8.098 0.505 18717 1899 1 4 . 1 1 40 40 ASP N N 40 117.427 117.427 120.560 -3.133 18717 1900 1 4 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.404 -0.215 18717 1901 1 4 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.311 0.016 18717 1902 1 4 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.891 0.150 18717 1903 1 4 . 1 1 40 40 ASP H H 40 8.397 8.397 7.719 0.678 18717 1904 1 4 . 1 1 41 41 PHE N N 41 119.507 119.507 119.619 -0.112 18717 1905 1 4 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.284 -0.313 18717 1906 1 4 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.426 1.736 18717 1907 1 4 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.153 0.345 18717 1908 1 4 . 1 1 41 41 PHE H H 41 8.248 8.248 7.879 0.369 18717 1909 1 4 . 1 1 42 42 LEU N N 42 118.072 118.072 119.895 -1.823 18717 1910 1 4 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.077 -0.352 18717 1911 1 4 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.700 -0.532 18717 1912 1 4 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.306 0.343 18717 1913 1 4 . 1 1 42 42 LEU H H 42 8.203 8.203 8.217 -0.014 18717 1914 1 4 . 1 1 43 43 MET N N 43 121.878 121.878 119.013 2.865 18717 1915 1 4 . 1 1 43 43 MET HA H 43 4.063 4.063 4.270 -0.207 18717 1916 1 4 . 1 1 43 43 MET CA C 43 57.664 57.664 57.509 0.155 18717 1917 1 4 . 1 1 43 43 MET CB C 43 30.833 30.833 32.166 -1.333 18717 1918 1 4 . 1 1 43 43 MET H H 43 9.073 9.073 8.122 0.951 18717 1919 1 4 . 1 1 44 44 LYS N N 44 122.276 122.276 119.096 3.180 18717 1920 1 4 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.070 -0.205 18717 1921 1 4 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.421 0.063 18717 1922 1 4 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.133 -0.608 18717 1923 1 4 . 1 1 44 44 LYS H H 44 7.678 7.678 7.872 -0.194 18717 1924 1 4 . 1 1 46 46 SER N N 46 113.504 113.504 113.367 0.137 18717 1925 1 4 . 1 1 46 46 SER HA H 46 3.744 3.744 4.184 -0.440 18717 1926 1 4 . 1 1 46 46 SER CA C 46 61.358 61.358 61.114 0.244 18717 1927 1 4 . 1 1 46 46 SER CB C 46 62.674 62.674 63.049 -0.375 18717 1928 1 4 . 1 1 46 46 SER H H 46 8.467 8.467 7.971 0.496 18717 1929 1 4 . 1 1 47 47 LYS N N 47 120.235 120.235 120.354 -0.119 18717 1930 1 4 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.456 -0.501 18717 1931 1 4 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.412 0.402 18717 1932 1 4 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.839 0.174 18717 1933 1 4 . 1 1 47 47 LYS H H 47 7.659 7.659 7.515 0.144 18717 1934 1 4 . 1 1 48 48 ILE N N 48 120.699 120.699 118.714 1.985 18717 1935 1 4 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.929 -0.464 18717 1936 1 4 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.793 2.299 18717 1937 1 4 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.472 -0.525 18717 1938 1 4 . 1 1 48 48 ILE H H 48 7.803 7.803 7.382 0.421 18717 1939 1 4 . 1 1 49 49 LEU N N 49 118.686 118.686 118.298 0.388 18717 1940 1 4 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.122 -0.057 18717 1941 1 4 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.721 0.393 18717 1942 1 4 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.664 -0.071 18717 1943 1 4 . 1 1 49 49 LEU H H 49 8.671 8.671 7.723 0.948 18717 1944 1 4 . 1 1 50 50 GLY N N 50 103.264 103.264 105.493 -2.229 18717 1945 1 4 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.854 -0.308 18717 1946 1 4 . 1 1 50 50 GLY H H 50 7.422 7.422 7.808 -0.386 18717 1947 1 4 . 1 1 51 51 LYS N N 51 121.616 121.616 120.634 0.982 18717 1948 1 4 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.214 0.056 18717 1949 1 4 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.885 0.443 18717 1950 1 4 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.577 1.599 18717 1951 1 4 . 1 1 51 51 LYS H H 51 7.227 7.227 7.547 -0.320 18717 1952 1 4 . 1 1 52 52 THR N N 52 112.472 112.472 110.566 1.906 18717 1953 1 4 . 1 1 52 52 THR HA H 52 4.363 4.363 4.702 -0.339 18717 1954 1 4 . 1 1 52 52 THR CA C 52 60.280 60.280 59.358 0.922 18717 1955 1 4 . 1 1 52 52 THR CB C 52 69.989 69.989 71.789 -1.800 18717 1956 1 4 . 1 1 52 52 THR H H 52 8.298 8.298 7.782 0.516 18717 1957 1 4 . 1 1 53 53 ASN N N 53 118.660 118.660 118.910 -0.250 18717 1958 1 4 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.481 -0.218 18717 1959 1 4 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.821 0.745 18717 1960 1 4 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.044 0.146 18717 1961 1 4 . 1 1 53 53 ASN H H 53 8.739 8.739 8.861 -0.122 18717 1962 1 4 . 1 1 54 54 LYS N N 54 116.241 116.241 117.479 -1.238 18717 1963 1 4 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.156 -0.072 18717 1964 1 4 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.748 -0.197 18717 1965 1 4 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.470 -0.092 18717 1966 1 4 . 1 1 54 54 LYS H H 54 7.949 7.949 7.726 0.223 18717 1967 1 4 . 1 1 55 55 GLN N N 55 116.389 116.389 116.721 -0.332 18717 1968 1 4 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.363 -0.180 18717 1969 1 4 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.573 0.048 18717 1970 1 4 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.371 0.152 18717 1971 1 4 . 1 1 55 55 GLN H H 55 7.492 7.492 7.470 0.022 18717 1972 1 4 . 1 1 56 56 LEU N N 56 120.014 120.014 122.400 -2.386 18717 1973 1 4 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.302 0.145 18717 1974 1 4 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.684 -0.359 18717 1975 1 4 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.428 0.596 18717 1976 1 4 . 1 1 56 56 LEU H H 56 7.137 7.137 8.028 -0.891 18717 1977 1 4 . 1 1 57 57 THR N N 57 115.673 115.673 118.039 -2.366 18717 1978 1 4 . 1 1 57 57 THR HA H 57 4.491 4.491 4.723 -0.232 18717 1979 1 4 . 1 1 57 57 THR CA C 57 59.638 59.638 59.826 -0.188 18717 1980 1 4 . 1 1 57 57 THR CB C 57 71.233 71.233 71.670 -0.437 18717 1981 1 4 . 1 1 57 57 THR H H 57 8.986 8.986 9.045 -0.059 18717 1982 1 4 . 1 1 58 58 ARG N N 58 121.180 121.180 120.444 0.736 18717 1983 1 4 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.030 -0.153 18717 1984 1 4 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.105 -0.288 18717 1985 1 4 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.112 -0.781 18717 1986 1 4 . 1 1 58 58 ARG H H 58 8.783 8.783 8.793 -0.010 18717 1987 1 4 . 1 1 59 59 SER N N 59 113.863 113.863 114.898 -1.035 18717 1988 1 4 . 1 1 59 59 SER HA H 59 4.116 4.116 4.352 -0.236 18717 1989 1 4 . 1 1 59 59 SER CA C 59 60.988 60.988 61.771 -0.783 18717 1990 1 4 . 1 1 59 59 SER CB C 59 62.156 62.156 62.874 -0.718 18717 1991 1 4 . 1 1 59 59 SER H H 59 8.198 8.198 8.193 0.005 18717 1992 1 4 . 1 1 60 60 ASP N N 60 122.780 122.780 120.399 2.381 18717 1993 1 4 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.631 -0.579 18717 1994 1 4 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.971 -0.433 18717 1995 1 4 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.573 1.405 18717 1996 1 4 . 1 1 60 60 ASP H H 60 7.623 7.623 7.786 -0.163 18717 1997 1 4 . 1 1 61 61 ARG N N 61 117.219 117.219 120.355 -3.136 18717 1998 1 4 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.149 -0.430 18717 1999 1 4 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.585 -0.048 18717 2000 1 4 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.469 -0.865 18717 2001 1 4 . 1 1 61 61 ARG H H 61 7.966 7.966 7.430 0.536 18717 2002 1 4 . 1 1 62 62 GLU N N 62 118.341 118.341 120.130 -1.789 18717 2003 1 4 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.011 -0.069 18717 2004 1 4 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.476 -0.440 18717 2005 1 4 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.312 0.171 18717 2006 1 4 . 1 1 62 62 GLU H H 62 7.556 7.556 8.647 -1.091 18717 2007 1 4 . 1 1 63 63 VAL N N 63 116.650 116.650 117.730 -1.080 18717 2008 1 4 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.476 0.105 18717 2009 1 4 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.733 -0.116 18717 2010 1 4 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.966 -0.685 18717 2011 1 4 . 1 1 63 63 VAL H H 63 7.398 7.398 7.712 -0.314 18717 2012 1 4 . 1 1 64 64 LEU N N 64 121.502 121.502 121.582 -0.080 18717 2013 1 4 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.197 -0.489 18717 2014 1 4 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.678 -0.811 18717 2015 1 4 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.165 0.771 18717 2016 1 4 . 1 1 64 64 LEU H H 64 7.889 7.889 7.881 0.008 18717 2017 1 4 . 1 1 65 65 ASP N N 65 119.200 119.200 118.423 0.777 18717 2018 1 4 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.349 0.043 18717 2019 1 4 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.509 -0.247 18717 2020 1 4 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.740 -1.015 18717 2021 1 4 . 1 1 65 65 ASP H H 65 7.846 7.846 7.969 -0.123 18717 2022 1 4 . 1 1 66 66 ASN N N 66 120.252 120.252 119.675 0.577 18717 2023 1 4 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.451 0.052 18717 2024 1 4 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.287 0.803 18717 2025 1 4 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.216 -0.197 18717 2026 1 4 . 1 1 66 66 ASN H H 66 7.480 7.480 7.497 -0.017 18717 2027 1 4 . 1 1 67 67 TRP N N 67 122.830 122.830 120.691 2.139 18717 2028 1 4 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.401 0.098 18717 2029 1 4 . 1 1 67 67 TRP CA C 67 58.287 58.287 59.379 -1.092 18717 2030 1 4 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.444 -1.380 18717 2031 1 4 . 1 1 67 67 TRP H H 67 8.730 8.730 8.379 0.351 18717 2032 1 4 . 1 1 68 68 ARG N N 68 120.279 120.279 119.511 0.768 18717 2033 1 4 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.280 0.563 18717 2034 1 4 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.437 -0.260 18717 2035 1 4 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.909 -1.603 18717 2036 1 4 . 1 1 68 68 ARG H H 68 7.976 7.976 8.084 -0.108 18717 2037 1 4 . 1 1 69 69 GLU N N 69 121.656 121.656 120.620 1.036 18717 2038 1 4 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.208 0.074 18717 2039 1 4 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.027 0.278 18717 2040 1 4 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.240 0.742 18717 2041 1 4 . 1 1 69 69 GLU H H 69 8.676 8.676 7.794 0.882 18717 2042 1 4 . 1 1 70 70 LEU N N 70 120.066 120.066 117.453 2.613 18717 2043 1 4 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.281 -0.146 18717 2044 1 4 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.274 -0.273 18717 2045 1 4 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.450 0.920 18717 2046 1 4 . 1 1 70 70 LEU H H 70 7.963 7.963 7.969 -0.006 18717 2047 1 4 . 1 1 71 71 GLU N N 71 118.326 118.326 119.998 -1.672 18717 2048 1 4 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.297 -0.732 18717 2049 1 4 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.538 -0.220 18717 2050 1 4 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.359 -0.189 18717 2051 1 4 . 1 1 71 71 GLU H H 71 8.278 8.278 8.197 0.081 18717 2052 1 4 . 1 1 72 72 MET N N 72 117.881 117.881 114.761 3.120 18717 2053 1 4 . 1 1 72 72 MET HA H 72 4.163 4.163 4.607 -0.444 18717 2054 1 4 . 1 1 72 72 MET CA C 72 57.906 57.906 57.672 0.234 18717 2055 1 4 . 1 1 72 72 MET CB C 72 32.006 32.006 33.106 -1.100 18717 2056 1 4 . 1 1 72 72 MET H H 72 7.966 7.966 7.807 0.159 18717 2057 1 4 . 1 1 73 73 LYS N N 73 119.844 119.844 119.677 0.167 18717 2058 1 4 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.249 -0.192 18717 2059 1 4 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.866 0.251 18717 2060 1 4 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.491 -0.098 18717 2061 1 4 . 1 1 73 73 LYS H H 73 7.959 7.959 7.732 0.227 18717 2062 1 4 . 1 1 74 74 ALA N N 74 120.588 120.588 119.874 0.714 18717 2063 1 4 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.369 -0.352 18717 2064 1 4 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.218 0.892 18717 2065 1 4 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.264 -0.768 18717 2066 1 4 . 1 1 74 74 ALA H H 74 7.504 7.504 7.651 -0.147 18717 2067 1 4 . 1 1 75 75 ARG N N 75 111.895 111.895 114.801 -2.906 18717 2068 1 4 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.891 -0.086 18717 2069 1 4 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.584 -0.211 18717 2070 1 4 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.263 0.133 18717 2071 1 4 . 1 1 75 75 ARG H H 75 7.550 7.550 7.649 -0.099 18717 2072 1 4 . 1 1 76 76 LYS N N 76 114.585 114.585 119.293 -4.708 18717 2073 1 4 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.404 -0.290 18717 2074 1 4 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.389 0.113 18717 2075 1 4 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.521 -3.245 18717 2076 1 4 . 1 1 76 76 LYS H H 76 7.810 7.810 7.959 -0.149 18717 2077 1 4 . 1 1 77 77 ARG N N 77 119.199 119.199 124.092 -4.893 18717 2078 1 4 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.256 -0.208 18717 2079 1 4 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.754 -0.064 18717 2080 1 4 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.195 1.281 18717 2081 1 4 . 1 1 77 77 ARG H H 77 7.916 7.916 8.496 -0.580 18717 2082 1 4 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.187 -0.024 18717 2083 1 4 . 1 1 80 80 THR N N 80 110.230 110.230 112.088 -1.858 18717 2084 1 4 . 1 1 80 80 THR HA H 80 4.526 4.526 4.365 0.161 18717 2085 1 4 . 1 1 80 80 THR CA C 80 58.081 58.081 60.524 -2.443 18717 2086 1 4 . 1 1 80 80 THR CB C 80 67.980 67.980 69.800 -1.820 18717 2087 1 4 . 1 1 80 80 THR H H 80 6.530 6.530 7.362 -0.832 18717 2088 1 4 . 1 1 81 81 THR N N 81 114.552 114.552 116.872 -2.320 18717 2089 1 4 . 1 1 81 81 THR HA H 81 4.260 4.260 3.738 0.522 18717 2090 1 4 . 1 1 81 81 THR CA C 81 61.767 61.767 62.599 -0.832 18717 2091 1 4 . 1 1 81 81 THR CB C 81 68.383 68.383 69.469 -1.086 18717 2092 1 4 . 1 1 81 81 THR H H 81 7.674 7.674 8.037 -0.363 18717 2093 1 4 . 1 1 82 82 LEU N N 82 127.155 127.155 125.414 1.741 18717 2094 1 4 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.040 -0.048 18717 2095 1 4 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.566 -1.852 18717 2096 1 4 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.288 -0.910 18717 2097 1 4 . 1 1 82 82 LEU H H 82 8.465 8.465 7.248 1.217 18717 2098 1 4 . 1 1 83 83 PHE N N 83 113.552 113.552 117.376 -3.824 18717 2099 1 4 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.465 0.457 18717 2100 1 4 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.687 -0.023 18717 2101 1 4 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.559 1.490 18717 2102 1 4 . 1 1 83 83 PHE H H 83 6.370 6.370 7.306 -0.936 18717 2103 1 4 . 1 1 84 84 PHE N N 84 116.628 116.628 114.603 2.025 18717 2104 1 4 . 1 1 84 84 PHE HA H 84 5.275 5.275 4.983 0.292 18717 2105 1 4 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.164 -0.813 18717 2106 1 4 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.269 1.554 18717 2107 1 4 . 1 1 84 84 PHE H H 84 9.579 9.579 7.775 1.804 18717 2108 1 4 . 1 1 85 85 ILE N N 85 113.827 113.827 114.556 -0.729 18717 2109 1 4 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.395 -0.253 18717 2110 1 4 . 1 1 85 85 ILE CA C 85 59.286 59.286 58.906 0.380 18717 2111 1 4 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.705 -0.418 18717 2112 1 4 . 1 1 85 85 ILE H H 85 9.410 9.410 9.673 -0.263 18717 2113 1 4 . 1 1 86 86 GLU N N 86 124.724 124.724 126.076 -1.352 18717 2114 1 4 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.889 -0.264 18717 2115 1 4 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.491 0.225 18717 2116 1 4 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.576 -0.566 18717 2117 1 4 . 1 1 86 86 GLU H H 86 9.957 9.957 8.988 0.969 18717 2118 1 4 . 1 1 87 87 THR N N 87 106.336 106.336 111.067 -4.731 18717 2119 1 4 . 1 1 87 87 THR HA H 87 3.695 3.695 4.097 -0.402 18717 2120 1 4 . 1 1 87 87 THR CA C 87 63.680 63.680 64.438 -0.758 18717 2121 1 4 . 1 1 87 87 THR CB C 87 67.530 67.530 68.271 -0.741 18717 2122 1 4 . 1 1 87 87 THR H H 87 7.659 7.659 8.290 -0.631 18717 2123 1 4 . 1 1 88 88 ASP N N 88 119.814 119.814 118.774 1.040 18717 2124 1 4 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.850 -0.636 18717 2125 1 4 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.164 2.334 18717 2126 1 4 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.324 -0.243 18717 2127 1 4 . 1 1 88 88 ASP H H 88 7.605 7.605 8.363 -0.758 18717 2128 1 4 . 1 1 89 89 ILE N N 89 113.246 113.246 118.855 -5.609 18717 2129 1 4 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.365 -0.551 18717 2130 1 4 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.402 -2.895 18717 2131 1 4 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.920 -3.120 18717 2132 1 4 . 1 1 89 89 ILE H H 89 6.538 6.538 7.476 -0.938 18717 2133 1 4 . 1 1 90 90 ARG N N 90 119.499 119.499 123.086 -3.587 18717 2134 1 4 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.219 -0.603 18717 2135 1 4 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.282 0.783 18717 2136 1 4 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.699 0.194 18717 2137 1 4 . 1 1 90 90 ARG H H 90 7.721 7.721 8.455 -0.734 18717 2138 1 4 . 1 1 92 92 MET N N 92 113.492 113.492 116.772 -3.280 18717 2139 1 4 . 1 1 92 92 MET HA H 92 4.175 4.175 4.409 -0.234 18717 2140 1 4 . 1 1 92 92 MET CA C 92 55.799 55.799 56.485 -0.686 18717 2141 1 4 . 1 1 92 92 MET CB C 92 33.950 33.950 34.130 -0.180 18717 2142 1 4 . 1 1 92 92 MET H H 92 7.549 7.549 7.402 0.147 18717 2143 1 4 . 1 1 93 93 LEU N N 93 117.943 117.943 119.641 -1.698 18717 2144 1 4 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.076 0.358 18717 2145 1 4 . 1 1 93 93 LEU CA C 93 52.855 52.855 57.546 -4.691 18717 2146 1 4 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.146 0.713 18717 2147 1 4 . 1 1 93 93 LEU H H 93 7.297 7.297 7.457 -0.160 18717 2148 1 4 . 1 1 94 94 GLN N N 94 121.536 121.536 114.658 6.878 18717 2149 1 4 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.427 -0.259 18717 2150 1 4 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.188 0.903 18717 2151 1 4 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.951 -2.788 18717 2152 1 4 . 1 1 94 94 GLN H H 94 8.675 8.675 8.205 0.470 18717 2153 1 4 . 1 1 95 95 ASP N N 95 123.380 123.380 125.885 -2.505 18717 2154 1 4 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.412 -0.528 18717 2155 1 4 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.313 2.180 18717 2156 1 4 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.969 -0.789 18717 2157 1 4 . 1 1 95 95 ASP H H 95 8.804 8.804 8.861 -0.057 18717 2158 1 4 . 1 1 96 96 ARG N N 96 115.337 115.337 114.820 0.517 18717 2159 1 4 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.373 -0.284 18717 2160 1 4 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.006 1.801 18717 2161 1 4 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.103 -0.672 18717 2162 1 4 . 1 1 96 96 ARG H H 96 8.652 8.652 7.880 0.773 18717 2163 1 4 . 1 1 97 97 LEU N N 97 118.485 118.485 119.993 -1.508 18717 2164 1 4 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.093 0.297 18717 2165 1 4 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.774 -1.363 18717 2166 1 4 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.429 1.665 18717 2167 1 4 . 1 1 97 97 LEU H H 97 7.776 7.776 7.632 0.144 18717 2168 1 4 . 1 1 98 98 ARG N N 98 119.863 119.863 112.129 7.734 18717 2169 1 4 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.117 -0.208 18717 2170 1 4 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.036 6.255 18717 2171 1 4 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.966 -0.141 18717 2172 1 4 . 1 1 98 98 ARG H H 98 7.553 7.553 7.585 -0.032 18717 2173 1 4 . 1 1 100 100 SER N N 100 111.387 111.387 115.857 -4.470 18717 2174 1 4 . 1 1 100 100 SER HA H 100 4.360 4.360 4.504 -0.144 18717 2175 1 4 . 1 1 100 100 SER CA C 100 59.923 59.923 59.176 0.747 18717 2176 1 4 . 1 1 100 100 SER CB C 100 63.304 63.304 63.653 -0.349 18717 2177 1 4 . 1 1 100 100 SER H H 100 7.616 7.616 8.504 -0.888 18717 2178 1 4 . 1 1 101 101 PHE N N 101 123.367 123.367 123.706 -0.339 18717 2179 1 4 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.087 -0.381 18717 2180 1 4 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.293 1.423 18717 2181 1 4 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.860 -0.215 18717 2182 1 4 . 1 1 101 101 PHE H H 101 7.722 7.722 8.453 -0.731 18717 2183 1 4 . 1 1 102 102 ALA N N 102 117.466 117.466 118.178 -0.712 18717 2184 1 4 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.160 -0.284 18717 2185 1 4 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.700 -0.162 18717 2186 1 4 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.331 -0.201 18717 2187 1 4 . 1 1 102 102 ALA H H 102 8.525 8.525 8.822 -0.297 18717 2188 1 4 . 1 1 103 103 LYS N N 103 115.077 115.077 116.402 -1.325 18717 2189 1 4 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.470 -0.405 18717 2190 1 4 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.237 -0.501 18717 2191 1 4 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.180 -1.133 18717 2192 1 4 . 1 1 103 103 LYS H H 103 7.000 7.000 7.952 -0.952 18717 2193 1 4 . 1 1 104 104 ALA N N 104 119.948 119.948 122.930 -2.982 18717 2194 1 4 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.386 -0.578 18717 2195 1 4 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.554 0.445 18717 2196 1 4 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.650 -0.735 18717 2197 1 4 . 1 1 104 104 ALA H H 104 7.955 7.955 7.914 0.041 18717 2198 1 4 . 1 1 105 105 ILE N N 105 116.011 116.011 120.428 -4.417 18717 2199 1 4 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.950 -0.501 18717 2200 1 4 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.208 -1.009 18717 2201 1 4 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.208 -2.211 18717 2202 1 4 . 1 1 105 105 ILE H H 105 7.030 7.030 8.613 -1.583 18717 2203 1 4 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.421 -0.388 18717 2204 1 4 . 1 1 106 106 PRO CA C 106 65.922 65.922 66.056 -0.134 18717 2205 1 4 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.032 -0.069 18717 2206 1 4 . 1 1 107 107 CYS N N 107 115.533 115.533 115.463 0.070 18717 2207 1 4 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.421 -0.547 18717 2208 1 4 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.698 0.239 18717 2209 1 4 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.182 -0.278 18717 2210 1 4 . 1 1 107 107 CYS H H 107 6.558 6.558 7.931 -1.373 18717 2211 1 4 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.419 -0.566 18717 2212 1 4 . 1 1 109 109 ARG N N 109 120.576 120.576 117.795 2.781 18717 2213 1 4 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.460 -0.068 18717 2214 1 4 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.322 0.139 18717 2215 1 4 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.759 0.508 18717 2216 1 4 . 1 1 109 109 ARG H H 109 8.507 8.507 7.949 0.558 18717 2217 1 4 . 1 1 110 110 HIS N N 110 122.218 122.218 122.903 -0.685 18717 2218 1 4 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.369 -0.283 18717 2219 1 4 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.321 1.437 18717 2220 1 4 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.934 0.961 18717 2221 1 4 . 1 1 110 110 HIS H H 110 7.998 7.998 8.421 -0.423 18717 2222 1 4 . 1 1 111 111 ILE N N 111 105.612 105.612 109.818 -4.206 18717 2223 1 4 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.347 -0.017 18717 2224 1 4 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.229 -0.636 18717 2225 1 4 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.637 -1.687 18717 2226 1 4 . 1 1 111 111 ILE H H 111 6.904 6.904 7.329 -0.425 18717 2227 1 4 . 1 1 112 112 ARG N N 112 114.782 114.782 116.902 -2.120 18717 2228 1 4 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.127 -0.226 18717 2229 1 4 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.250 0.065 18717 2230 1 4 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.954 -0.714 18717 2231 1 4 . 1 1 112 112 ARG H H 112 7.660 7.660 8.024 -0.364 18717 2232 1 4 . 1 1 113 113 ARG N N 113 114.996 114.996 115.538 -0.542 18717 2233 1 4 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.558 -0.308 18717 2234 1 4 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.553 -0.899 18717 2235 1 4 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.775 -0.653 18717 2236 1 4 . 1 1 113 113 ARG H H 113 8.149 8.149 7.788 0.361 18717 2237 1 4 . 1 1 114 114 ILE N N 114 112.019 112.019 112.970 -0.951 18717 2238 1 4 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.118 -0.244 18717 2239 1 4 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.050 -2.448 18717 2240 1 4 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.831 0.569 18717 2241 1 4 . 1 1 114 114 ILE H H 114 6.810 6.810 7.344 -0.534 18717 2242 1 4 . 1 1 115 115 ARG N N 115 122.894 122.894 119.238 3.656 18717 2243 1 4 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.738 -0.381 18717 2244 1 4 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.236 -0.124 18717 2245 1 4 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.102 -2.044 18717 2246 1 4 . 1 1 115 115 ARG H H 115 8.822 8.822 8.445 0.377 18717 2247 1 4 . 1 1 116 116 GLU N N 116 118.962 118.962 118.469 0.493 18717 2248 1 4 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.653 0.662 18717 2249 1 4 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.675 -1.573 18717 2250 1 4 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.390 2.544 18717 2251 1 4 . 1 1 116 116 GLU H H 116 8.329 8.329 8.342 -0.013 18717 2252 1 4 . 1 1 117 117 GLU N N 117 124.627 124.627 125.091 -0.464 18717 2253 1 4 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.570 -0.039 18717 2254 1 4 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.230 -0.118 18717 2255 1 4 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.852 1.481 18717 2256 1 4 . 1 1 117 117 GLU H H 117 9.028 9.028 8.184 0.844 18717 2257 1 4 . 1 1 118 118 ARG N N 118 127.916 127.916 128.427 -0.511 18717 2258 1 4 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.374 0.238 18717 2259 1 4 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.590 0.203 18717 2260 1 4 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.255 0.886 18717 2261 1 4 . 1 1 118 118 ARG H H 118 8.952 8.952 8.617 0.335 18717 2262 1 4 . 1 1 119 119 CYS N N 119 126.785 126.785 127.341 -0.556 18717 2263 1 4 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.642 0.016 18717 2264 1 4 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.972 -1.524 18717 2265 1 4 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.883 0.309 18717 2266 1 4 . 1 1 119 119 CYS H H 119 8.831 8.831 8.218 0.613 18717 2267 1 4 . 1 1 120 120 GLY N N 120 117.456 117.456 114.602 2.854 18717 2268 1 4 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.157 -0.645 18717 2269 1 4 . 1 1 120 120 GLY H H 120 8.873 8.873 8.395 0.478 18717 2270 1 4 . 1 1 122 122 LEU N N 122 121.777 121.777 117.155 4.622 18717 2271 1 4 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.539 -0.101 18717 2272 1 4 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.666 -0.057 18717 2273 1 4 . 1 1 122 122 LEU CB C 122 44.979 44.979 45.952 -0.973 18717 2274 1 4 . 1 1 122 122 LEU H H 122 7.270 7.270 7.779 -0.509 18717 2275 1 4 . 1 1 123 123 THR N N 123 118.668 118.668 114.218 4.450 18717 2276 1 4 . 1 1 123 123 THR HA H 123 4.407 4.407 4.707 -0.300 18717 2277 1 4 . 1 1 123 123 THR CA C 123 61.769 61.769 61.342 0.427 18717 2278 1 4 . 1 1 123 123 THR CB C 123 69.263 69.263 70.714 -1.451 18717 2279 1 4 . 1 1 123 123 THR H H 123 7.649 7.649 8.084 -0.435 18717 2280 1 4 . 1 1 124 124 PHE N N 124 125.265 125.265 124.032 1.233 18717 2281 1 4 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.556 -1.285 18717 2282 1 4 . 1 1 124 124 PHE CA C 124 56.587 56.587 54.911 1.676 18717 2283 1 4 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.429 0.599 18717 2284 1 4 . 1 1 124 124 PHE H H 124 8.553 8.553 8.295 0.258 18717 2285 1 4 . 1 1 125 125 TYR N N 125 118.544 118.544 116.471 2.073 18717 2286 1 4 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.654 0.632 18717 2287 1 4 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.499 -0.749 18717 2288 1 4 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.585 -0.467 18717 2289 1 4 . 1 1 125 125 TYR H H 125 8.616 8.616 8.026 0.590 18717 2290 1 4 . 1 1 126 126 TYR N N 126 115.848 115.848 118.066 -2.218 18717 2291 1 4 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.320 -0.060 18717 2292 1 4 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.970 0.958 18717 2293 1 4 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.466 -1.524 18717 2294 1 4 . 1 1 126 126 TYR H H 126 8.357 8.357 7.487 0.870 18717 2295 1 4 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.519 0.103 18717 2296 1 4 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.757 0.172 18717 2297 1 4 . 1 1 128 128 GLY N N 128 108.039 108.039 114.858 -6.819 18717 2298 1 4 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.588 -0.881 18717 2299 1 4 . 1 1 128 128 GLY H H 128 7.730 7.730 8.155 -0.425 18717 2300 1 4 . 1 1 129 129 SER N N 129 114.228 114.228 116.970 -2.742 18717 2301 1 4 . 1 1 129 129 SER HA H 129 4.438 4.438 4.201 0.237 18717 2302 1 4 . 1 1 129 129 SER CA C 129 57.566 57.566 60.556 -2.990 18717 2303 1 4 . 1 1 129 129 SER CB C 129 63.772 63.772 63.721 0.051 18717 2304 1 4 . 1 1 129 129 SER H H 129 8.102 8.102 8.797 -0.695 18717 2305 1 5 . 1 1 3 3 ASP N N 3 120.763 120.763 119.614 1.149 18717 2306 1 5 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.638 -0.151 18717 2307 1 5 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.760 0.371 18717 2308 1 5 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.095 0.792 18717 2309 1 5 . 1 1 3 3 ASP H H 3 8.327 8.327 8.385 -0.058 18717 2310 1 5 . 1 1 4 4 ILE N N 4 121.147 121.147 117.924 3.223 18717 2311 1 5 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.459 -0.414 18717 2312 1 5 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.086 1.637 18717 2313 1 5 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.169 -1.709 18717 2314 1 5 . 1 1 4 4 ILE H H 4 7.971 7.971 7.529 0.442 18717 2315 1 5 . 1 1 5 5 ARG N N 5 123.685 123.685 122.143 1.542 18717 2316 1 5 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.129 0.342 18717 2317 1 5 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.228 -2.809 18717 2318 1 5 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.474 -0.331 18717 2319 1 5 . 1 1 5 5 ARG H H 5 8.067 8.067 8.446 -0.379 18717 2320 1 5 . 1 1 6 6 ILE N N 6 124.881 124.881 116.538 8.343 18717 2321 1 5 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.456 -0.673 18717 2322 1 5 . 1 1 6 6 ILE CA C 6 63.441 63.441 60.885 2.556 18717 2323 1 5 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.983 -1.799 18717 2324 1 5 . 1 1 6 6 ILE H H 6 9.083 9.083 8.586 0.497 18717 2325 1 5 . 1 1 7 7 VAL N N 7 120.527 120.527 116.393 4.134 18717 2326 1 5 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.567 -0.476 18717 2327 1 5 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.204 0.461 18717 2328 1 5 . 1 1 7 7 VAL CB C 7 31.692 31.692 32.795 -1.103 18717 2329 1 5 . 1 1 7 7 VAL H H 7 9.067 9.067 7.838 1.229 18717 2330 1 5 . 1 1 9 9 GLN N N 9 120.479 120.479 118.304 2.175 18717 2331 1 5 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.275 -0.415 18717 2332 1 5 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.765 0.134 18717 2333 1 5 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.012 0.810 18717 2334 1 5 . 1 1 9 9 GLN H H 9 8.305 8.305 8.399 -0.094 18717 2335 1 5 . 1 1 10 10 ILE N N 10 125.746 125.746 118.470 7.276 18717 2336 1 5 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.579 -0.529 18717 2337 1 5 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.850 0.437 18717 2338 1 5 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.087 -1.937 18717 2339 1 5 . 1 1 10 10 ILE H H 10 10.040 10.040 8.309 1.731 18717 2340 1 5 . 1 1 11 11 THR HA H 11 4.459 4.459 4.407 0.052 18717 2341 1 5 . 1 1 11 11 THR CA C 11 60.124 60.124 59.831 0.293 18717 2342 1 5 . 1 1 11 11 THR CB C 11 71.036 71.036 69.772 1.264 18717 2343 1 5 . 1 1 12 12 ASP N N 12 121.634 121.634 120.948 0.686 18717 2344 1 5 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.478 -0.245 18717 2345 1 5 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.650 0.141 18717 2346 1 5 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.675 0.170 18717 2347 1 5 . 1 1 12 12 ASP H H 12 8.892 8.892 8.758 0.134 18717 2348 1 5 . 1 1 13 13 GLU N N 13 117.207 117.207 117.559 -0.352 18717 2349 1 5 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.222 -0.373 18717 2350 1 5 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.681 1.002 18717 2351 1 5 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.541 -0.386 18717 2352 1 5 . 1 1 13 13 GLU H H 13 8.421 8.421 8.612 -0.191 18717 2353 1 5 . 1 1 14 14 GLU N N 14 118.579 118.579 117.738 0.841 18717 2354 1 5 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.431 -0.454 18717 2355 1 5 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.184 1.308 18717 2356 1 5 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.442 0.973 18717 2357 1 5 . 1 1 14 14 GLU H H 14 7.647 7.647 7.853 -0.206 18717 2358 1 5 . 1 1 15 15 PHE N N 15 122.867 122.867 121.836 1.031 18717 2359 1 5 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.354 -0.509 18717 2360 1 5 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.233 -0.227 18717 2361 1 5 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.593 0.264 18717 2362 1 5 . 1 1 15 15 PHE H H 15 8.823 8.823 8.980 -0.157 18717 2363 1 5 . 1 1 16 16 LYS N N 16 115.192 115.192 116.618 -1.426 18717 2364 1 5 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.037 -0.074 18717 2365 1 5 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.121 -0.035 18717 2366 1 5 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.396 1.212 18717 2367 1 5 . 1 1 16 16 LYS H H 16 7.742 7.742 7.883 -0.141 18717 2368 1 5 . 1 1 17 17 THR N N 17 108.709 108.709 111.639 -2.930 18717 2369 1 5 . 1 1 17 17 THR HA H 17 4.269 4.269 4.239 0.030 18717 2370 1 5 . 1 1 17 17 THR CA C 17 61.767 61.767 63.126 -1.359 18717 2371 1 5 . 1 1 17 17 THR CB C 17 69.956 69.956 69.046 0.910 18717 2372 1 5 . 1 1 17 17 THR H H 17 7.518 7.518 7.433 0.085 18717 2373 1 5 . 1 1 18 18 ILE N N 18 124.707 124.707 125.260 -0.553 18717 2374 1 5 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.404 -0.792 18717 2375 1 5 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.320 1.081 18717 2376 1 5 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.228 -0.945 18717 2377 1 5 . 1 1 18 18 ILE H H 18 7.063 7.063 7.315 -0.252 18717 2378 1 5 . 1 1 20 20 LYS N N 20 124.646 124.646 122.094 2.552 18717 2379 1 5 . 1 1 20 20 LYS HA H 20 3.709 3.709 4.002 -0.293 18717 2380 1 5 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.820 0.360 18717 2381 1 5 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.665 -0.226 18717 2382 1 5 . 1 1 20 20 LYS H H 20 8.639 8.639 8.885 -0.246 18717 2383 1 5 . 1 1 21 21 TYR N N 21 115.093 115.093 117.430 -2.337 18717 2384 1 5 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.303 0.011 18717 2385 1 5 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.318 -1.404 18717 2386 1 5 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.661 -1.484 18717 2387 1 5 . 1 1 21 21 TYR H H 21 7.897 7.897 8.340 -0.443 18717 2388 1 5 . 1 1 22 22 GLN N N 22 119.745 119.745 116.754 2.991 18717 2389 1 5 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.366 -0.440 18717 2390 1 5 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.507 0.099 18717 2391 1 5 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.920 -0.455 18717 2392 1 5 . 1 1 22 22 GLN H H 22 6.759 6.759 7.983 -1.224 18717 2393 1 5 . 1 1 23 23 LEU N N 23 118.619 118.619 117.534 1.085 18717 2394 1 5 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.102 -0.250 18717 2395 1 5 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.565 0.004 18717 2396 1 5 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.482 1.108 18717 2397 1 5 . 1 1 23 23 LEU H H 23 7.115 7.115 7.512 -0.397 18717 2398 1 5 . 1 1 24 24 GLY N N 24 103.606 103.606 107.280 -3.674 18717 2399 1 5 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.573 0.350 18717 2400 1 5 . 1 1 24 24 GLY H H 24 7.541 7.541 8.292 -0.751 18717 2401 1 5 . 1 1 25 25 ARG N N 25 126.033 126.033 123.523 2.510 18717 2402 1 5 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.546 -0.266 18717 2403 1 5 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.077 0.296 18717 2404 1 5 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.921 -0.975 18717 2405 1 5 . 1 1 25 25 ARG H H 25 8.850 8.850 8.092 0.758 18717 2406 1 5 . 1 1 26 26 LEU N N 26 121.287 121.287 120.203 1.084 18717 2407 1 5 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.592 -0.334 18717 2408 1 5 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.082 1.514 18717 2409 1 5 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.182 -1.437 18717 2410 1 5 . 1 1 26 26 LEU H H 26 8.017 8.017 7.394 0.623 18717 2411 1 5 . 1 1 27 27 THR N N 27 110.943 110.943 108.412 2.531 18717 2412 1 5 . 1 1 27 27 THR HA H 27 4.626 4.626 4.529 0.097 18717 2413 1 5 . 1 1 27 27 THR CA C 27 58.272 58.272 60.020 -1.748 18717 2414 1 5 . 1 1 27 27 THR H H 27 7.129 7.129 7.868 -0.739 18717 2415 1 5 . 1 1 28 28 LEU N N 28 124.601 124.601 122.462 2.139 18717 2416 1 5 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.554 -0.327 18717 2417 1 5 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.939 -1.105 18717 2418 1 5 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.896 -1.984 18717 2419 1 5 . 1 1 28 28 LEU H H 28 8.404 8.404 8.147 0.257 18717 2420 1 5 . 1 1 29 29 GLU N N 29 117.021 117.021 118.965 -1.944 18717 2421 1 5 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.962 -0.076 18717 2422 1 5 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.608 0.360 18717 2423 1 5 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.173 -0.360 18717 2424 1 5 . 1 1 29 29 GLU H H 29 8.361 8.361 8.652 -0.291 18717 2425 1 5 . 1 1 30 30 MET N N 30 119.159 119.159 117.641 1.518 18717 2426 1 5 . 1 1 30 30 MET HA H 30 3.999 3.999 4.334 -0.335 18717 2427 1 5 . 1 1 30 30 MET CA C 30 58.946 58.946 58.945 0.001 18717 2428 1 5 . 1 1 30 30 MET CB C 30 31.941 31.941 32.620 -0.679 18717 2429 1 5 . 1 1 30 30 MET H H 30 7.541 7.541 7.354 0.187 18717 2430 1 5 . 1 1 31 31 MET N N 31 117.316 117.316 117.836 -0.520 18717 2431 1 5 . 1 1 31 31 MET HA H 31 3.833 3.833 4.007 -0.174 18717 2432 1 5 . 1 1 31 31 MET CA C 31 58.966 58.966 59.188 -0.222 18717 2433 1 5 . 1 1 31 31 MET CB C 31 32.253 32.253 32.324 -0.071 18717 2434 1 5 . 1 1 31 31 MET H H 31 8.310 8.310 8.180 0.130 18717 2435 1 5 . 1 1 32 32 ASN N N 32 116.639 116.639 119.115 -2.476 18717 2436 1 5 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.355 0.603 18717 2437 1 5 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.108 -2.833 18717 2438 1 5 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.735 -1.820 18717 2439 1 5 . 1 1 32 32 ASN H H 32 8.728 8.728 8.575 0.153 18717 2440 1 5 . 1 1 33 33 GLU N N 33 125.338 125.338 119.306 6.032 18717 2441 1 5 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.149 0.037 18717 2442 1 5 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.759 0.752 18717 2443 1 5 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.384 -0.156 18717 2444 1 5 . 1 1 33 33 GLU H H 33 7.918 7.918 7.899 0.019 18717 2445 1 5 . 1 1 34 34 ILE N N 34 119.962 119.962 121.696 -1.734 18717 2446 1 5 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.619 -0.148 18717 2447 1 5 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.284 0.510 18717 2448 1 5 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.754 0.168 18717 2449 1 5 . 1 1 34 34 ILE H H 34 7.576 7.576 7.461 0.115 18717 2450 1 5 . 1 1 35 35 VAL N N 35 119.021 119.021 118.033 0.988 18717 2451 1 5 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.716 -0.141 18717 2452 1 5 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.957 0.188 18717 2453 1 5 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.100 0.399 18717 2454 1 5 . 1 1 35 35 VAL H H 35 8.657 8.657 8.374 0.283 18717 2455 1 5 . 1 1 36 36 SER N N 36 114.977 114.977 115.882 -0.905 18717 2456 1 5 . 1 1 36 36 SER HA H 36 4.171 4.171 4.138 0.033 18717 2457 1 5 . 1 1 36 36 SER CA C 36 61.604 61.604 61.426 0.178 18717 2458 1 5 . 1 1 36 36 SER CB C 36 62.415 62.415 63.057 -0.642 18717 2459 1 5 . 1 1 36 36 SER H H 36 8.175 8.175 7.629 0.546 18717 2460 1 5 . 1 1 37 37 LYS N N 37 119.000 119.000 121.503 -2.503 18717 2461 1 5 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.004 0.173 18717 2462 1 5 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.634 -1.479 18717 2463 1 5 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.083 -1.703 18717 2464 1 5 . 1 1 37 37 LYS H H 37 7.283 7.283 8.217 -0.934 18717 2465 1 5 . 1 1 38 38 MET N N 38 119.061 119.061 118.706 0.355 18717 2466 1 5 . 1 1 38 38 MET HA H 38 3.430 3.430 4.055 -0.625 18717 2467 1 5 . 1 1 38 38 MET CA C 38 59.676 59.676 59.755 -0.079 18717 2468 1 5 . 1 1 38 38 MET CB C 38 31.961 31.961 32.460 -0.499 18717 2469 1 5 . 1 1 38 38 MET H H 38 7.740 7.740 7.918 -0.178 18717 2470 1 5 . 1 1 39 39 ASP N N 39 118.445 118.445 118.797 -0.352 18717 2471 1 5 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.317 -0.227 18717 2472 1 5 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.044 1.729 18717 2473 1 5 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.501 2.641 18717 2474 1 5 . 1 1 39 39 ASP H H 39 8.603 8.603 7.817 0.786 18717 2475 1 5 . 1 1 40 40 ASP N N 40 117.427 117.427 120.483 -3.056 18717 2476 1 5 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.347 -0.158 18717 2477 1 5 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.394 -0.067 18717 2478 1 5 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.878 0.163 18717 2479 1 5 . 1 1 40 40 ASP H H 40 8.397 8.397 7.661 0.736 18717 2480 1 5 . 1 1 41 41 PHE N N 41 119.507 119.507 119.099 0.408 18717 2481 1 5 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.108 -0.137 18717 2482 1 5 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.783 2.379 18717 2483 1 5 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.570 0.928 18717 2484 1 5 . 1 1 41 41 PHE H H 41 8.248 8.248 7.734 0.514 18717 2485 1 5 . 1 1 42 42 LEU N N 42 118.072 118.072 119.927 -1.855 18717 2486 1 5 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.012 -0.287 18717 2487 1 5 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.163 0.005 18717 2488 1 5 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.164 0.485 18717 2489 1 5 . 1 1 42 42 LEU H H 42 8.203 8.203 8.290 -0.087 18717 2490 1 5 . 1 1 43 43 MET N N 43 121.878 121.878 119.668 2.210 18717 2491 1 5 . 1 1 43 43 MET HA H 43 4.063 4.063 4.313 -0.250 18717 2492 1 5 . 1 1 43 43 MET CA C 43 57.664 57.664 57.410 0.254 18717 2493 1 5 . 1 1 43 43 MET CB C 43 30.833 30.833 32.152 -1.319 18717 2494 1 5 . 1 1 43 43 MET H H 43 9.073 9.073 8.133 0.940 18717 2495 1 5 . 1 1 44 44 LYS N N 44 122.276 122.276 118.733 3.543 18717 2496 1 5 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.090 -0.225 18717 2497 1 5 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.111 0.373 18717 2498 1 5 . 1 1 44 44 LYS CB C 44 31.525 31.525 31.707 -0.182 18717 2499 1 5 . 1 1 44 44 LYS H H 44 7.678 7.678 8.058 -0.380 18717 2500 1 5 . 1 1 46 46 SER N N 46 113.504 113.504 113.988 -0.484 18717 2501 1 5 . 1 1 46 46 SER HA H 46 3.744 3.744 4.276 -0.532 18717 2502 1 5 . 1 1 46 46 SER CA C 46 61.358 61.358 61.135 0.223 18717 2503 1 5 . 1 1 46 46 SER CB C 46 62.674 62.674 62.985 -0.311 18717 2504 1 5 . 1 1 46 46 SER H H 46 8.467 8.467 8.008 0.459 18717 2505 1 5 . 1 1 47 47 LYS N N 47 120.235 120.235 120.531 -0.296 18717 2506 1 5 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.265 -0.310 18717 2507 1 5 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.267 0.547 18717 2508 1 5 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.890 0.123 18717 2509 1 5 . 1 1 47 47 LYS H H 47 7.659 7.659 7.544 0.115 18717 2510 1 5 . 1 1 48 48 ILE N N 48 120.699 120.699 119.005 1.694 18717 2511 1 5 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.964 -0.499 18717 2512 1 5 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.940 2.152 18717 2513 1 5 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.693 -0.746 18717 2514 1 5 . 1 1 48 48 ILE H H 48 7.803 7.803 7.461 0.342 18717 2515 1 5 . 1 1 49 49 LEU N N 49 118.686 118.686 119.744 -1.058 18717 2516 1 5 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.218 -0.153 18717 2517 1 5 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.607 0.507 18717 2518 1 5 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.718 -0.125 18717 2519 1 5 . 1 1 49 49 LEU H H 49 8.671 8.671 7.766 0.905 18717 2520 1 5 . 1 1 50 50 GLY N N 50 103.264 103.264 104.172 -0.908 18717 2521 1 5 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.678 -0.133 18717 2522 1 5 . 1 1 50 50 GLY H H 50 7.422 7.422 7.514 -0.092 18717 2523 1 5 . 1 1 51 51 LYS N N 51 121.616 121.616 121.690 -0.074 18717 2524 1 5 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.679 -0.409 18717 2525 1 5 . 1 1 51 51 LYS CA C 51 57.328 57.328 54.526 2.802 18717 2526 1 5 . 1 1 51 51 LYS CB C 51 34.176 34.176 34.015 0.161 18717 2527 1 5 . 1 1 51 51 LYS H H 51 7.227 7.227 7.548 -0.321 18717 2528 1 5 . 1 1 52 52 THR N N 52 112.472 112.472 118.211 -5.739 18717 2529 1 5 . 1 1 52 52 THR HA H 52 4.363 4.363 4.300 0.063 18717 2530 1 5 . 1 1 52 52 THR CA C 52 60.280 60.280 62.081 -1.801 18717 2531 1 5 . 1 1 52 52 THR CB C 52 69.989 69.989 69.527 0.462 18717 2532 1 5 . 1 1 52 52 THR H H 52 8.298 8.298 8.292 0.006 18717 2533 1 5 . 1 1 53 53 ASN N N 53 118.660 118.660 121.948 -3.288 18717 2534 1 5 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.372 -0.109 18717 2535 1 5 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.340 1.226 18717 2536 1 5 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.000 0.190 18717 2537 1 5 . 1 1 53 53 ASN H H 53 8.739 8.739 8.710 0.029 18717 2538 1 5 . 1 1 54 54 LYS N N 54 116.241 116.241 117.469 -1.228 18717 2539 1 5 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.123 -0.039 18717 2540 1 5 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.057 -0.506 18717 2541 1 5 . 1 1 54 54 LYS CB C 54 32.378 32.378 31.856 0.522 18717 2542 1 5 . 1 1 54 54 LYS H H 54 7.949 7.949 8.222 -0.273 18717 2543 1 5 . 1 1 55 55 GLN N N 55 116.389 116.389 116.404 -0.015 18717 2544 1 5 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.341 -0.158 18717 2545 1 5 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.572 0.049 18717 2546 1 5 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.819 0.704 18717 2547 1 5 . 1 1 55 55 GLN H H 55 7.492 7.492 7.517 -0.025 18717 2548 1 5 . 1 1 56 56 LEU N N 56 120.014 120.014 122.626 -2.612 18717 2549 1 5 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.203 0.244 18717 2550 1 5 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.817 -0.492 18717 2551 1 5 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.460 0.564 18717 2552 1 5 . 1 1 56 56 LEU H H 56 7.137 7.137 7.897 -0.760 18717 2553 1 5 . 1 1 57 57 THR N N 57 115.673 115.673 115.064 0.609 18717 2554 1 5 . 1 1 57 57 THR HA H 57 4.491 4.491 4.654 -0.163 18717 2555 1 5 . 1 1 57 57 THR CA C 57 59.638 59.638 59.802 -0.164 18717 2556 1 5 . 1 1 57 57 THR CB C 57 71.233 71.233 71.288 -0.055 18717 2557 1 5 . 1 1 57 57 THR H H 57 8.986 8.986 7.567 1.419 18717 2558 1 5 . 1 1 58 58 ARG N N 58 121.180 121.180 120.565 0.615 18717 2559 1 5 . 1 1 58 58 ARG HA H 58 3.877 3.877 3.936 -0.059 18717 2560 1 5 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.856 -0.039 18717 2561 1 5 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.123 -0.793 18717 2562 1 5 . 1 1 58 58 ARG H H 58 8.783 8.783 8.749 0.034 18717 2563 1 5 . 1 1 59 59 SER N N 59 113.863 113.863 113.815 0.048 18717 2564 1 5 . 1 1 59 59 SER HA H 59 4.116 4.116 4.029 0.087 18717 2565 1 5 . 1 1 59 59 SER CA C 59 60.988 60.988 61.060 -0.072 18717 2566 1 5 . 1 1 59 59 SER CB C 59 62.156 62.156 62.892 -0.736 18717 2567 1 5 . 1 1 59 59 SER H H 59 8.198 8.198 7.923 0.275 18717 2568 1 5 . 1 1 60 60 ASP N N 60 122.780 122.780 120.681 2.099 18717 2569 1 5 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.453 -0.401 18717 2570 1 5 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.617 -0.080 18717 2571 1 5 . 1 1 60 60 ASP CB C 60 41.978 41.978 41.032 0.946 18717 2572 1 5 . 1 1 60 60 ASP H H 60 7.623 7.623 8.255 -0.632 18717 2573 1 5 . 1 1 61 61 ARG N N 61 117.219 117.219 119.373 -2.154 18717 2574 1 5 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.118 -0.399 18717 2575 1 5 . 1 1 61 61 ARG CA C 61 59.537 59.537 58.896 0.641 18717 2576 1 5 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.340 -0.736 18717 2577 1 5 . 1 1 61 61 ARG H H 61 7.966 7.966 7.735 0.231 18717 2578 1 5 . 1 1 62 62 GLU N N 62 118.341 118.341 119.757 -1.416 18717 2579 1 5 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.026 -0.084 18717 2580 1 5 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.557 -0.521 18717 2581 1 5 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.776 -0.293 18717 2582 1 5 . 1 1 62 62 GLU H H 62 7.556 7.556 8.459 -0.903 18717 2583 1 5 . 1 1 63 63 VAL N N 63 116.650 116.650 117.777 -1.127 18717 2584 1 5 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.234 0.347 18717 2585 1 5 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.903 -0.286 18717 2586 1 5 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.311 -0.030 18717 2587 1 5 . 1 1 63 63 VAL H H 63 7.398 7.398 7.479 -0.081 18717 2588 1 5 . 1 1 64 64 LEU N N 64 121.502 121.502 121.427 0.075 18717 2589 1 5 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.052 -0.344 18717 2590 1 5 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.550 -0.683 18717 2591 1 5 . 1 1 64 64 LEU CB C 64 41.936 41.936 40.963 0.973 18717 2592 1 5 . 1 1 64 64 LEU H H 64 7.889 7.889 7.854 0.035 18717 2593 1 5 . 1 1 65 65 ASP N N 65 119.200 119.200 118.314 0.886 18717 2594 1 5 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.342 0.050 18717 2595 1 5 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.695 -0.433 18717 2596 1 5 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.878 -1.153 18717 2597 1 5 . 1 1 65 65 ASP H H 65 7.846 7.846 7.958 -0.112 18717 2598 1 5 . 1 1 66 66 ASN N N 66 120.252 120.252 118.453 1.799 18717 2599 1 5 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.439 0.064 18717 2600 1 5 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.194 -0.104 18717 2601 1 5 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.709 -0.690 18717 2602 1 5 . 1 1 66 66 ASN H H 66 7.480 7.480 7.655 -0.175 18717 2603 1 5 . 1 1 67 67 TRP N N 67 122.830 122.830 121.003 1.827 18717 2604 1 5 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.543 -0.044 18717 2605 1 5 . 1 1 67 67 TRP CA C 67 58.287 58.287 59.648 -1.361 18717 2606 1 5 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.750 -0.686 18717 2607 1 5 . 1 1 67 67 TRP H H 67 8.730 8.730 8.401 0.329 18717 2608 1 5 . 1 1 68 68 ARG N N 68 120.279 120.279 119.795 0.484 18717 2609 1 5 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.220 0.623 18717 2610 1 5 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.608 -0.431 18717 2611 1 5 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.902 -1.596 18717 2612 1 5 . 1 1 68 68 ARG H H 68 7.976 7.976 8.180 -0.204 18717 2613 1 5 . 1 1 69 69 GLU N N 69 121.656 121.656 120.581 1.075 18717 2614 1 5 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.192 0.090 18717 2615 1 5 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.011 0.294 18717 2616 1 5 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.335 0.647 18717 2617 1 5 . 1 1 69 69 GLU H H 69 8.676 8.676 8.200 0.476 18717 2618 1 5 . 1 1 70 70 LEU N N 70 120.066 120.066 117.241 2.825 18717 2619 1 5 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.283 -0.148 18717 2620 1 5 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.019 -0.018 18717 2621 1 5 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.625 0.745 18717 2622 1 5 . 1 1 70 70 LEU H H 70 7.963 7.963 7.835 0.128 18717 2623 1 5 . 1 1 71 71 GLU N N 71 118.326 118.326 119.736 -1.410 18717 2624 1 5 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.865 -0.300 18717 2625 1 5 . 1 1 71 71 GLU CA C 71 59.318 59.318 58.822 0.496 18717 2626 1 5 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.036 1.134 18717 2627 1 5 . 1 1 71 71 GLU H H 71 8.278 8.278 8.193 0.085 18717 2628 1 5 . 1 1 72 72 MET N N 72 117.881 117.881 113.868 4.013 18717 2629 1 5 . 1 1 72 72 MET HA H 72 4.163 4.163 4.572 -0.409 18717 2630 1 5 . 1 1 72 72 MET CA C 72 57.906 57.906 57.308 0.598 18717 2631 1 5 . 1 1 72 72 MET CB C 72 32.006 32.006 33.587 -1.581 18717 2632 1 5 . 1 1 72 72 MET H H 72 7.966 7.966 7.510 0.456 18717 2633 1 5 . 1 1 73 73 LYS N N 73 119.844 119.844 118.026 1.818 18717 2634 1 5 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.400 -0.343 18717 2635 1 5 . 1 1 73 73 LYS CA C 73 58.117 58.117 56.407 1.710 18717 2636 1 5 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.590 -0.197 18717 2637 1 5 . 1 1 73 73 LYS H H 73 7.959 7.959 7.598 0.361 18717 2638 1 5 . 1 1 74 74 ALA N N 74 120.588 120.588 121.137 -0.549 18717 2639 1 5 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.281 -0.264 18717 2640 1 5 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.379 0.731 18717 2641 1 5 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.279 -0.783 18717 2642 1 5 . 1 1 74 74 ALA H H 74 7.504 7.504 7.341 0.163 18717 2643 1 5 . 1 1 75 75 ARG N N 75 111.895 111.895 114.749 -2.854 18717 2644 1 5 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.960 -0.155 18717 2645 1 5 . 1 1 75 75 ARG CA C 75 57.373 57.373 56.754 0.619 18717 2646 1 5 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.774 -0.378 18717 2647 1 5 . 1 1 75 75 ARG H H 75 7.550 7.550 8.150 -0.600 18717 2648 1 5 . 1 1 76 76 LYS N N 76 114.585 114.585 118.380 -3.795 18717 2649 1 5 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.409 -0.295 18717 2650 1 5 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.431 0.071 18717 2651 1 5 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.772 -3.495 18717 2652 1 5 . 1 1 76 76 LYS H H 76 7.810 7.810 8.148 -0.338 18717 2653 1 5 . 1 1 77 77 ARG N N 77 119.199 119.199 122.785 -3.586 18717 2654 1 5 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.443 -0.395 18717 2655 1 5 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.734 -0.044 18717 2656 1 5 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.650 0.826 18717 2657 1 5 . 1 1 77 77 ARG H H 77 7.916 7.916 8.347 -0.431 18717 2658 1 5 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.395 -0.232 18717 2659 1 5 . 1 1 80 80 THR N N 80 110.230 110.230 113.358 -3.128 18717 2660 1 5 . 1 1 80 80 THR HA H 80 4.526 4.526 4.287 0.239 18717 2661 1 5 . 1 1 80 80 THR CA C 80 58.081 58.081 61.873 -3.792 18717 2662 1 5 . 1 1 80 80 THR CB C 80 67.980 67.980 69.618 -1.638 18717 2663 1 5 . 1 1 80 80 THR H H 80 6.530 6.530 7.838 -1.308 18717 2664 1 5 . 1 1 81 81 THR N N 81 114.552 114.552 116.913 -2.361 18717 2665 1 5 . 1 1 81 81 THR HA H 81 4.260 4.260 4.352 -0.092 18717 2666 1 5 . 1 1 81 81 THR CA C 81 61.767 61.767 63.401 -1.633 18717 2667 1 5 . 1 1 81 81 THR CB C 81 68.383 68.383 69.734 -1.351 18717 2668 1 5 . 1 1 81 81 THR H H 81 7.674 7.674 8.276 -0.602 18717 2669 1 5 . 1 1 82 82 LEU N N 82 127.155 127.155 124.995 2.160 18717 2670 1 5 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.387 -0.395 18717 2671 1 5 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.076 -1.362 18717 2672 1 5 . 1 1 82 82 LEU CB C 82 39.378 39.378 41.083 -1.705 18717 2673 1 5 . 1 1 82 82 LEU H H 82 8.465 8.465 7.630 0.835 18717 2674 1 5 . 1 1 83 83 PHE N N 83 113.552 113.552 117.087 -3.535 18717 2675 1 5 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.723 0.199 18717 2676 1 5 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.122 -0.458 18717 2677 1 5 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.716 1.333 18717 2678 1 5 . 1 1 83 83 PHE H H 83 6.370 6.370 7.021 -0.651 18717 2679 1 5 . 1 1 84 84 PHE N N 84 116.628 116.628 118.641 -2.013 18717 2680 1 5 . 1 1 84 84 PHE HA H 84 5.275 5.275 4.969 0.306 18717 2681 1 5 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.411 -1.060 18717 2682 1 5 . 1 1 84 84 PHE CB C 84 42.823 42.823 44.183 -1.360 18717 2683 1 5 . 1 1 84 84 PHE H H 84 9.579 9.579 8.768 0.811 18717 2684 1 5 . 1 1 85 85 ILE N N 85 113.827 113.827 115.228 -1.401 18717 2685 1 5 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.007 0.135 18717 2686 1 5 . 1 1 85 85 ILE CA C 85 59.286 59.286 58.992 0.294 18717 2687 1 5 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.059 0.228 18717 2688 1 5 . 1 1 85 85 ILE H H 85 9.410 9.410 8.149 1.261 18717 2689 1 5 . 1 1 86 86 GLU N N 86 124.724 124.724 122.281 2.443 18717 2690 1 5 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.953 -0.328 18717 2691 1 5 . 1 1 86 86 GLU CA C 86 60.716 60.716 59.805 0.911 18717 2692 1 5 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.822 -0.812 18717 2693 1 5 . 1 1 86 86 GLU H H 86 9.957 9.957 8.548 1.409 18717 2694 1 5 . 1 1 87 87 THR N N 87 106.336 106.336 111.200 -4.864 18717 2695 1 5 . 1 1 87 87 THR HA H 87 3.695 3.695 4.165 -0.470 18717 2696 1 5 . 1 1 87 87 THR CA C 87 63.680 63.680 64.775 -1.095 18717 2697 1 5 . 1 1 87 87 THR CB C 87 67.530 67.530 68.383 -0.853 18717 2698 1 5 . 1 1 87 87 THR H H 87 7.659 7.659 8.287 -0.628 18717 2699 1 5 . 1 1 88 88 ASP N N 88 119.814 119.814 119.638 0.176 18717 2700 1 5 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.976 -0.762 18717 2701 1 5 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.996 1.502 18717 2702 1 5 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.936 -0.855 18717 2703 1 5 . 1 1 88 88 ASP H H 88 7.605 7.605 7.735 -0.130 18717 2704 1 5 . 1 1 89 89 ILE N N 89 113.246 113.246 118.628 -5.382 18717 2705 1 5 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.499 -0.685 18717 2706 1 5 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.711 -3.204 18717 2707 1 5 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.968 -3.168 18717 2708 1 5 . 1 1 89 89 ILE H H 89 6.538 6.538 7.620 -1.082 18717 2709 1 5 . 1 1 90 90 ARG N N 90 119.499 119.499 123.196 -3.697 18717 2710 1 5 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.241 -0.625 18717 2711 1 5 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.295 0.770 18717 2712 1 5 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.589 0.304 18717 2713 1 5 . 1 1 90 90 ARG H H 90 7.721 7.721 8.611 -0.890 18717 2714 1 5 . 1 1 92 92 MET N N 92 113.492 113.492 116.335 -2.843 18717 2715 1 5 . 1 1 92 92 MET HA H 92 4.175 4.175 4.526 -0.351 18717 2716 1 5 . 1 1 92 92 MET CA C 92 55.799 55.799 55.827 -0.028 18717 2717 1 5 . 1 1 92 92 MET CB C 92 33.950 33.950 34.472 -0.522 18717 2718 1 5 . 1 1 92 92 MET H H 92 7.549 7.549 7.628 -0.079 18717 2719 1 5 . 1 1 93 93 LEU N N 93 117.943 117.943 119.791 -1.848 18717 2720 1 5 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.164 0.270 18717 2721 1 5 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.086 -3.231 18717 2722 1 5 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.297 0.562 18717 2723 1 5 . 1 1 93 93 LEU H H 93 7.297 7.297 7.420 -0.123 18717 2724 1 5 . 1 1 94 94 GLN N N 94 121.536 121.536 116.386 5.150 18717 2725 1 5 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.442 -0.274 18717 2726 1 5 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.167 0.923 18717 2727 1 5 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.590 -2.427 18717 2728 1 5 . 1 1 94 94 GLN H H 94 8.675 8.675 8.162 0.513 18717 2729 1 5 . 1 1 95 95 ASP N N 95 123.380 123.380 125.694 -2.314 18717 2730 1 5 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.380 -0.496 18717 2731 1 5 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.695 1.798 18717 2732 1 5 . 1 1 95 95 ASP CB C 95 40.180 40.180 41.005 -0.825 18717 2733 1 5 . 1 1 95 95 ASP H H 95 8.804 8.804 8.899 -0.095 18717 2734 1 5 . 1 1 96 96 ARG N N 96 115.337 115.337 115.198 0.139 18717 2735 1 5 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.354 -0.265 18717 2736 1 5 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.173 1.634 18717 2737 1 5 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.985 -0.554 18717 2738 1 5 . 1 1 96 96 ARG H H 96 8.652 8.652 7.834 0.818 18717 2739 1 5 . 1 1 97 97 LEU N N 97 118.485 118.485 119.923 -1.438 18717 2740 1 5 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.127 0.263 18717 2741 1 5 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.640 -1.229 18717 2742 1 5 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.220 1.874 18717 2743 1 5 . 1 1 97 97 LEU H H 97 7.776 7.776 7.612 0.164 18717 2744 1 5 . 1 1 98 98 ARG N N 98 119.863 119.863 112.073 7.790 18717 2745 1 5 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.142 -0.233 18717 2746 1 5 . 1 1 98 98 ARG CA C 98 62.291 62.291 55.652 6.639 18717 2747 1 5 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.715 0.110 18717 2748 1 5 . 1 1 98 98 ARG H H 98 7.553 7.553 7.617 -0.064 18717 2749 1 5 . 1 1 100 100 SER N N 100 111.387 111.387 117.896 -6.509 18717 2750 1 5 . 1 1 100 100 SER HA H 100 4.360 4.360 4.530 -0.170 18717 2751 1 5 . 1 1 100 100 SER CA C 100 59.923 59.923 59.723 0.200 18717 2752 1 5 . 1 1 100 100 SER CB C 100 63.304 63.304 63.451 -0.147 18717 2753 1 5 . 1 1 100 100 SER H H 100 7.616 7.616 8.498 -0.882 18717 2754 1 5 . 1 1 101 101 PHE N N 101 123.367 123.367 123.162 0.205 18717 2755 1 5 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.019 -0.313 18717 2756 1 5 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.272 1.444 18717 2757 1 5 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.733 -0.088 18717 2758 1 5 . 1 1 101 101 PHE H H 101 7.722 7.722 8.270 -0.548 18717 2759 1 5 . 1 1 102 102 ALA N N 102 117.466 117.466 118.446 -0.980 18717 2760 1 5 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.100 -0.224 18717 2761 1 5 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.666 -0.129 18717 2762 1 5 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.179 -0.049 18717 2763 1 5 . 1 1 102 102 ALA H H 102 8.525 8.525 8.806 -0.281 18717 2764 1 5 . 1 1 103 103 LYS N N 103 115.077 115.077 115.613 -0.536 18717 2765 1 5 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.303 -0.237 18717 2766 1 5 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.191 -0.455 18717 2767 1 5 . 1 1 103 103 LYS CB C 103 32.047 32.047 32.899 -0.852 18717 2768 1 5 . 1 1 103 103 LYS H H 103 7.000 7.000 7.996 -0.996 18717 2769 1 5 . 1 1 104 104 ALA N N 104 119.948 119.948 121.977 -2.029 18717 2770 1 5 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.367 -0.559 18717 2771 1 5 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.300 0.699 18717 2772 1 5 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.736 -0.821 18717 2773 1 5 . 1 1 104 104 ALA H H 104 7.955 7.955 7.638 0.317 18717 2774 1 5 . 1 1 105 105 ILE N N 105 116.011 116.011 120.467 -4.456 18717 2775 1 5 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.908 -0.459 18717 2776 1 5 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.162 -0.963 18717 2777 1 5 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.224 -2.227 18717 2778 1 5 . 1 1 105 105 ILE H H 105 7.030 7.030 8.438 -1.408 18717 2779 1 5 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.442 -0.409 18717 2780 1 5 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.763 0.159 18717 2781 1 5 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.954 0.008 18717 2782 1 5 . 1 1 107 107 CYS N N 107 115.533 115.533 115.175 0.358 18717 2783 1 5 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.409 -0.535 18717 2784 1 5 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.670 0.267 18717 2785 1 5 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.922 -0.018 18717 2786 1 5 . 1 1 107 107 CYS H H 107 6.558 6.558 8.012 -1.454 18717 2787 1 5 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.382 -0.529 18717 2788 1 5 . 1 1 109 109 ARG N N 109 120.576 120.576 117.956 2.620 18717 2789 1 5 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.397 -0.005 18717 2790 1 5 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.351 0.110 18717 2791 1 5 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.709 0.558 18717 2792 1 5 . 1 1 109 109 ARG H H 109 8.507 8.507 7.767 0.740 18717 2793 1 5 . 1 1 110 110 HIS N N 110 122.218 122.218 121.058 1.160 18717 2794 1 5 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.311 -0.225 18717 2795 1 5 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.245 1.513 18717 2796 1 5 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.715 1.180 18717 2797 1 5 . 1 1 110 110 HIS H H 110 7.998 7.998 8.254 -0.256 18717 2798 1 5 . 1 1 111 111 ILE N N 111 105.612 105.612 110.979 -5.367 18717 2799 1 5 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.112 0.218 18717 2800 1 5 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.643 -0.050 18717 2801 1 5 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.396 -1.446 18717 2802 1 5 . 1 1 111 111 ILE H H 111 6.904 6.904 7.212 -0.308 18717 2803 1 5 . 1 1 112 112 ARG N N 112 114.782 114.782 117.228 -2.446 18717 2804 1 5 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.099 -0.198 18717 2805 1 5 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.233 0.082 18717 2806 1 5 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.989 -0.749 18717 2807 1 5 . 1 1 112 112 ARG H H 112 7.660 7.660 8.010 -0.350 18717 2808 1 5 . 1 1 113 113 ARG N N 113 114.996 114.996 115.652 -0.656 18717 2809 1 5 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.543 -0.293 18717 2810 1 5 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.651 -0.997 18717 2811 1 5 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.988 -0.866 18717 2812 1 5 . 1 1 113 113 ARG H H 113 8.149 8.149 7.767 0.382 18717 2813 1 5 . 1 1 114 114 ILE N N 114 112.019 112.019 112.476 -0.457 18717 2814 1 5 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.109 -0.235 18717 2815 1 5 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.459 -2.857 18717 2816 1 5 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.750 0.650 18717 2817 1 5 . 1 1 114 114 ILE H H 114 6.810 6.810 7.349 -0.539 18717 2818 1 5 . 1 1 115 115 ARG N N 115 122.894 122.894 119.733 3.161 18717 2819 1 5 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.667 -0.310 18717 2820 1 5 . 1 1 115 115 ARG CA C 115 54.112 54.112 53.551 0.561 18717 2821 1 5 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.672 -1.614 18717 2822 1 5 . 1 1 115 115 ARG H H 115 8.822 8.822 8.522 0.300 18717 2823 1 5 . 1 1 116 116 GLU N N 116 118.962 118.962 118.855 0.107 18717 2824 1 5 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.899 0.416 18717 2825 1 5 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.533 -1.431 18717 2826 1 5 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.381 3.553 18717 2827 1 5 . 1 1 116 116 GLU H H 116 8.329 8.329 8.444 -0.115 18717 2828 1 5 . 1 1 117 117 GLU N N 117 124.627 124.627 125.217 -0.590 18717 2829 1 5 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.608 -0.077 18717 2830 1 5 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.079 0.033 18717 2831 1 5 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.133 1.200 18717 2832 1 5 . 1 1 117 117 GLU H H 117 9.028 9.028 8.742 0.286 18717 2833 1 5 . 1 1 118 118 ARG N N 118 127.916 127.916 128.248 -0.332 18717 2834 1 5 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.258 0.354 18717 2835 1 5 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.593 0.200 18717 2836 1 5 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.201 0.940 18717 2837 1 5 . 1 1 118 118 ARG H H 118 8.952 8.952 8.665 0.287 18717 2838 1 5 . 1 1 119 119 CYS N N 119 126.785 126.785 127.235 -0.450 18717 2839 1 5 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.656 0.002 18717 2840 1 5 . 1 1 119 119 CYS CA C 119 56.448 56.448 56.474 -0.026 18717 2841 1 5 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.268 1.924 18717 2842 1 5 . 1 1 119 119 CYS H H 119 8.831 8.831 8.094 0.737 18717 2843 1 5 . 1 1 120 120 GLY N N 120 117.456 117.456 114.151 3.305 18717 2844 1 5 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.614 -1.102 18717 2845 1 5 . 1 1 120 120 GLY H H 120 8.873 8.873 8.002 0.871 18717 2846 1 5 . 1 1 122 122 LEU N N 122 121.777 121.777 119.054 2.723 18717 2847 1 5 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.573 -0.135 18717 2848 1 5 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.710 -0.101 18717 2849 1 5 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.600 0.379 18717 2850 1 5 . 1 1 122 122 LEU H H 122 7.270 7.270 7.374 -0.104 18717 2851 1 5 . 1 1 123 123 THR N N 123 118.668 118.668 113.416 5.252 18717 2852 1 5 . 1 1 123 123 THR HA H 123 4.407 4.407 4.767 -0.360 18717 2853 1 5 . 1 1 123 123 THR CA C 123 61.769 61.769 61.649 0.120 18717 2854 1 5 . 1 1 123 123 THR CB C 123 69.263 69.263 71.080 -1.817 18717 2855 1 5 . 1 1 123 123 THR H H 123 7.649 7.649 7.969 -0.320 18717 2856 1 5 . 1 1 124 124 PHE N N 124 125.265 125.265 123.396 1.869 18717 2857 1 5 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.439 -1.168 18717 2858 1 5 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.468 1.119 18717 2859 1 5 . 1 1 124 124 PHE CB C 124 42.028 42.028 42.485 -0.457 18717 2860 1 5 . 1 1 124 124 PHE H H 124 8.553 8.553 8.721 -0.168 18717 2861 1 5 . 1 1 125 125 TYR N N 125 118.544 118.544 115.529 3.015 18717 2862 1 5 . 1 1 125 125 TYR HA H 125 5.286 5.286 5.034 0.252 18717 2863 1 5 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.922 -1.172 18717 2864 1 5 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.536 -1.419 18717 2865 1 5 . 1 1 125 125 TYR H H 125 8.616 8.616 9.183 -0.567 18717 2866 1 5 . 1 1 126 126 TYR N N 126 115.848 115.848 118.388 -2.540 18717 2867 1 5 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.542 -0.282 18717 2868 1 5 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.241 0.687 18717 2869 1 5 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.753 -1.811 18717 2870 1 5 . 1 1 126 126 TYR H H 126 8.357 8.357 8.047 0.310 18717 2871 1 5 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.618 0.004 18717 2872 1 5 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.760 0.169 18717 2873 1 5 . 1 1 128 128 GLY N N 128 108.039 108.039 112.795 -4.756 18717 2874 1 5 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.840 -1.133 18717 2875 1 5 . 1 1 128 128 GLY H H 128 7.730 7.730 8.129 -0.399 18717 2876 1 5 . 1 1 129 129 SER N N 129 114.228 114.228 120.363 -6.135 18717 2877 1 5 . 1 1 129 129 SER HA H 129 4.438 4.438 4.751 -0.313 18717 2878 1 5 . 1 1 129 129 SER CA C 129 57.566 57.566 56.730 0.836 18717 2879 1 5 . 1 1 129 129 SER CB C 129 63.772 63.772 66.300 -2.528 18717 2880 1 5 . 1 1 129 129 SER H H 129 8.102 8.102 8.707 -0.605 18717 2881 1 6 . 1 1 3 3 ASP N N 3 120.763 120.763 120.162 0.601 18717 2882 1 6 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.820 -0.333 18717 2883 1 6 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.930 0.201 18717 2884 1 6 . 1 1 3 3 ASP CB C 3 40.887 40.887 39.722 1.165 18717 2885 1 6 . 1 1 3 3 ASP H H 3 8.327 8.327 8.527 -0.200 18717 2886 1 6 . 1 1 4 4 ILE N N 4 121.147 121.147 120.344 0.803 18717 2887 1 6 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.526 -0.481 18717 2888 1 6 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.187 1.536 18717 2889 1 6 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.788 -1.328 18717 2890 1 6 . 1 1 4 4 ILE H H 4 7.971 7.971 7.769 0.202 18717 2891 1 6 . 1 1 5 5 ARG N N 5 123.685 123.685 122.070 1.615 18717 2892 1 6 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.139 0.332 18717 2893 1 6 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.079 -2.660 18717 2894 1 6 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.255 -0.113 18717 2895 1 6 . 1 1 5 5 ARG H H 5 8.067 8.067 8.439 -0.372 18717 2896 1 6 . 1 1 6 6 ILE N N 6 124.881 124.881 121.188 3.693 18717 2897 1 6 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.181 -0.398 18717 2898 1 6 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.680 1.761 18717 2899 1 6 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.086 -0.902 18717 2900 1 6 . 1 1 6 6 ILE H H 6 9.083 9.083 9.028 0.055 18717 2901 1 6 . 1 1 7 7 VAL N N 7 120.527 120.527 114.773 5.754 18717 2902 1 6 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.548 -0.457 18717 2903 1 6 . 1 1 7 7 VAL CA C 7 58.665 58.665 57.747 0.918 18717 2904 1 6 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.357 -1.665 18717 2905 1 6 . 1 1 7 7 VAL H H 7 9.067 9.067 8.025 1.042 18717 2906 1 6 . 1 1 9 9 GLN N N 9 120.479 120.479 117.396 3.083 18717 2907 1 6 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.478 -0.618 18717 2908 1 6 . 1 1 9 9 GLN CA C 9 55.899 55.899 54.586 1.313 18717 2909 1 6 . 1 1 9 9 GLN CB C 9 29.822 29.822 30.036 -0.214 18717 2910 1 6 . 1 1 9 9 GLN H H 9 8.305 8.305 8.282 0.023 18717 2911 1 6 . 1 1 10 10 ILE N N 10 125.746 125.746 117.551 8.195 18717 2912 1 6 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.558 -0.508 18717 2913 1 6 . 1 1 10 10 ILE CA C 10 60.287 60.287 60.016 0.271 18717 2914 1 6 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.077 -1.927 18717 2915 1 6 . 1 1 10 10 ILE H H 10 10.040 10.040 8.248 1.792 18717 2916 1 6 . 1 1 11 11 THR HA H 11 4.459 4.459 4.613 -0.154 18717 2917 1 6 . 1 1 11 11 THR CA C 11 60.124 60.124 60.069 0.055 18717 2918 1 6 . 1 1 11 11 THR CB C 11 71.036 71.036 69.959 1.077 18717 2919 1 6 . 1 1 12 12 ASP N N 12 121.634 121.634 120.403 1.231 18717 2920 1 6 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.488 -0.255 18717 2921 1 6 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.424 0.367 18717 2922 1 6 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.617 0.228 18717 2923 1 6 . 1 1 12 12 ASP H H 12 8.892 8.892 8.768 0.124 18717 2924 1 6 . 1 1 13 13 GLU N N 13 117.207 117.207 117.071 0.136 18717 2925 1 6 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.221 -0.372 18717 2926 1 6 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.486 1.197 18717 2927 1 6 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.548 -0.393 18717 2928 1 6 . 1 1 13 13 GLU H H 13 8.421 8.421 8.574 -0.153 18717 2929 1 6 . 1 1 14 14 GLU N N 14 118.579 118.579 118.333 0.246 18717 2930 1 6 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.319 -0.342 18717 2931 1 6 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.484 1.008 18717 2932 1 6 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.095 1.320 18717 2933 1 6 . 1 1 14 14 GLU H H 14 7.647 7.647 7.847 -0.200 18717 2934 1 6 . 1 1 15 15 PHE N N 15 122.867 122.867 122.085 0.782 18717 2935 1 6 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.361 -0.516 18717 2936 1 6 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.053 -0.047 18717 2937 1 6 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.536 0.321 18717 2938 1 6 . 1 1 15 15 PHE H H 15 8.823 8.823 8.951 -0.128 18717 2939 1 6 . 1 1 16 16 LYS N N 16 115.192 115.192 116.179 -0.987 18717 2940 1 6 . 1 1 16 16 LYS HA H 16 3.963 3.963 3.960 0.003 18717 2941 1 6 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.905 0.181 18717 2942 1 6 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.257 1.351 18717 2943 1 6 . 1 1 16 16 LYS H H 16 7.742 7.742 7.778 -0.036 18717 2944 1 6 . 1 1 17 17 THR N N 17 108.709 108.709 111.760 -3.051 18717 2945 1 6 . 1 1 17 17 THR HA H 17 4.269 4.269 4.186 0.083 18717 2946 1 6 . 1 1 17 17 THR CA C 17 61.767 61.767 63.245 -1.478 18717 2947 1 6 . 1 1 17 17 THR CB C 17 69.956 69.956 69.158 0.798 18717 2948 1 6 . 1 1 17 17 THR H H 17 7.518 7.518 7.335 0.183 18717 2949 1 6 . 1 1 18 18 ILE N N 18 124.707 124.707 124.151 0.556 18717 2950 1 6 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.456 -0.844 18717 2951 1 6 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.182 1.219 18717 2952 1 6 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.450 -1.167 18717 2953 1 6 . 1 1 18 18 ILE H H 18 7.063 7.063 7.288 -0.225 18717 2954 1 6 . 1 1 20 20 LYS N N 20 124.646 124.646 120.958 3.688 18717 2955 1 6 . 1 1 20 20 LYS HA H 20 3.709 3.709 4.024 -0.315 18717 2956 1 6 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.982 0.198 18717 2957 1 6 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.435 0.004 18717 2958 1 6 . 1 1 20 20 LYS H H 20 8.639 8.639 8.939 -0.300 18717 2959 1 6 . 1 1 21 21 TYR N N 21 115.093 115.093 118.806 -3.713 18717 2960 1 6 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.299 0.015 18717 2961 1 6 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.357 -1.443 18717 2962 1 6 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.712 -1.535 18717 2963 1 6 . 1 1 21 21 TYR H H 21 7.897 7.897 8.355 -0.458 18717 2964 1 6 . 1 1 22 22 GLN N N 22 119.745 119.745 116.694 3.051 18717 2965 1 6 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.292 -0.366 18717 2966 1 6 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.896 -0.290 18717 2967 1 6 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.958 -0.493 18717 2968 1 6 . 1 1 22 22 GLN H H 22 6.759 6.759 7.916 -1.157 18717 2969 1 6 . 1 1 23 23 LEU N N 23 118.619 118.619 118.406 0.213 18717 2970 1 6 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.032 -0.180 18717 2971 1 6 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.927 -0.358 18717 2972 1 6 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.307 1.283 18717 2973 1 6 . 1 1 23 23 LEU H H 23 7.115 7.115 7.711 -0.596 18717 2974 1 6 . 1 1 24 24 GLY N N 24 103.606 103.606 107.360 -3.754 18717 2975 1 6 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.680 0.243 18717 2976 1 6 . 1 1 24 24 GLY H H 24 7.541 7.541 8.152 -0.611 18717 2977 1 6 . 1 1 25 25 ARG N N 25 126.033 126.033 124.347 1.686 18717 2978 1 6 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.693 -0.413 18717 2979 1 6 . 1 1 25 25 ARG CA C 25 55.373 55.373 54.790 0.583 18717 2980 1 6 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.236 -1.290 18717 2981 1 6 . 1 1 25 25 ARG H H 25 8.850 8.850 8.124 0.726 18717 2982 1 6 . 1 1 26 26 LEU N N 26 121.287 121.287 119.959 1.328 18717 2983 1 6 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.391 -0.133 18717 2984 1 6 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.381 1.215 18717 2985 1 6 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.395 -0.650 18717 2986 1 6 . 1 1 26 26 LEU H H 26 8.017 8.017 7.468 0.549 18717 2987 1 6 . 1 1 27 27 THR N N 27 110.943 110.943 113.176 -2.233 18717 2988 1 6 . 1 1 27 27 THR HA H 27 4.626 4.626 4.603 0.023 18717 2989 1 6 . 1 1 27 27 THR CA C 27 58.272 58.272 60.712 -2.440 18717 2990 1 6 . 1 1 27 27 THR H H 27 7.129 7.129 7.952 -0.823 18717 2991 1 6 . 1 1 28 28 LEU N N 28 124.601 124.601 125.165 -0.564 18717 2992 1 6 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.661 -0.434 18717 2993 1 6 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.294 -1.460 18717 2994 1 6 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.906 -1.994 18717 2995 1 6 . 1 1 28 28 LEU H H 28 8.404 8.404 8.313 0.091 18717 2996 1 6 . 1 1 29 29 GLU N N 29 117.021 117.021 118.499 -1.478 18717 2997 1 6 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.969 -0.083 18717 2998 1 6 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.533 0.434 18717 2999 1 6 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.198 -0.385 18717 3000 1 6 . 1 1 29 29 GLU H H 29 8.361 8.361 8.732 -0.371 18717 3001 1 6 . 1 1 30 30 MET N N 30 119.159 119.159 117.855 1.304 18717 3002 1 6 . 1 1 30 30 MET HA H 30 3.999 3.999 4.336 -0.337 18717 3003 1 6 . 1 1 30 30 MET CA C 30 58.946 58.946 58.843 0.103 18717 3004 1 6 . 1 1 30 30 MET CB C 30 31.941 31.941 32.783 -0.843 18717 3005 1 6 . 1 1 30 30 MET H H 30 7.541 7.541 7.615 -0.074 18717 3006 1 6 . 1 1 31 31 MET N N 31 117.316 117.316 117.514 -0.198 18717 3007 1 6 . 1 1 31 31 MET HA H 31 3.833 3.833 4.015 -0.182 18717 3008 1 6 . 1 1 31 31 MET CA C 31 58.966 58.966 58.879 0.087 18717 3009 1 6 . 1 1 31 31 MET CB C 31 32.253 32.253 32.159 0.094 18717 3010 1 6 . 1 1 31 31 MET H H 31 8.310 8.310 8.160 0.150 18717 3011 1 6 . 1 1 32 32 ASN N N 32 116.639 116.639 119.165 -2.526 18717 3012 1 6 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.383 0.575 18717 3013 1 6 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.037 -2.762 18717 3014 1 6 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.652 -1.737 18717 3015 1 6 . 1 1 32 32 ASN H H 32 8.728 8.728 8.585 0.143 18717 3016 1 6 . 1 1 33 33 GLU N N 33 125.338 125.338 119.012 6.326 18717 3017 1 6 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.149 0.037 18717 3018 1 6 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.600 0.911 18717 3019 1 6 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.499 -0.271 18717 3020 1 6 . 1 1 33 33 GLU H H 33 7.918 7.918 7.938 -0.020 18717 3021 1 6 . 1 1 34 34 ILE N N 34 119.962 119.962 121.655 -1.693 18717 3022 1 6 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.674 -0.203 18717 3023 1 6 . 1 1 34 34 ILE CA C 34 65.794 65.794 64.968 0.826 18717 3024 1 6 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.884 0.038 18717 3025 1 6 . 1 1 34 34 ILE H H 34 7.576 7.576 7.424 0.152 18717 3026 1 6 . 1 1 35 35 VAL N N 35 119.021 119.021 118.601 0.420 18717 3027 1 6 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.748 -0.173 18717 3028 1 6 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.417 0.728 18717 3029 1 6 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.533 0.966 18717 3030 1 6 . 1 1 35 35 VAL H H 35 8.657 8.657 8.379 0.278 18717 3031 1 6 . 1 1 36 36 SER N N 36 114.977 114.977 116.736 -1.759 18717 3032 1 6 . 1 1 36 36 SER HA H 36 4.171 4.171 4.148 0.023 18717 3033 1 6 . 1 1 36 36 SER CA C 36 61.604 61.604 62.239 -0.635 18717 3034 1 6 . 1 1 36 36 SER CB C 36 62.415 62.415 62.943 -0.528 18717 3035 1 6 . 1 1 36 36 SER H H 36 8.175 8.175 7.886 0.289 18717 3036 1 6 . 1 1 37 37 LYS N N 37 119.000 119.000 121.637 -2.637 18717 3037 1 6 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.065 0.112 18717 3038 1 6 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.509 -1.354 18717 3039 1 6 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.026 -1.646 18717 3040 1 6 . 1 1 37 37 LYS H H 37 7.283 7.283 7.736 -0.453 18717 3041 1 6 . 1 1 38 38 MET N N 38 119.061 119.061 118.415 0.646 18717 3042 1 6 . 1 1 38 38 MET HA H 38 3.430 3.430 3.822 -0.392 18717 3043 1 6 . 1 1 38 38 MET CA C 38 59.676 59.676 59.315 0.361 18717 3044 1 6 . 1 1 38 38 MET CB C 38 31.961 31.961 32.534 -0.573 18717 3045 1 6 . 1 1 38 38 MET H H 38 7.740 7.740 7.800 -0.060 18717 3046 1 6 . 1 1 39 39 ASP N N 39 118.445 118.445 119.169 -0.724 18717 3047 1 6 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.452 -0.362 18717 3048 1 6 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.308 1.465 18717 3049 1 6 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.599 2.543 18717 3050 1 6 . 1 1 39 39 ASP H H 39 8.603 8.603 7.991 0.612 18717 3051 1 6 . 1 1 40 40 ASP N N 40 117.427 117.427 120.730 -3.303 18717 3052 1 6 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.343 -0.154 18717 3053 1 6 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.567 -0.240 18717 3054 1 6 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.914 0.127 18717 3055 1 6 . 1 1 40 40 ASP H H 40 8.397 8.397 7.616 0.781 18717 3056 1 6 . 1 1 41 41 PHE N N 41 119.507 119.507 121.281 -1.774 18717 3057 1 6 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.117 -0.146 18717 3058 1 6 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.852 2.311 18717 3059 1 6 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.837 0.660 18717 3060 1 6 . 1 1 41 41 PHE H H 41 8.248 8.248 7.993 0.255 18717 3061 1 6 . 1 1 42 42 LEU N N 42 118.072 118.072 120.337 -2.265 18717 3062 1 6 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.882 -0.157 18717 3063 1 6 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.612 -0.444 18717 3064 1 6 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.205 0.444 18717 3065 1 6 . 1 1 42 42 LEU H H 42 8.203 8.203 8.159 0.044 18717 3066 1 6 . 1 1 43 43 MET N N 43 121.878 121.878 118.830 3.048 18717 3067 1 6 . 1 1 43 43 MET HA H 43 4.063 4.063 4.097 -0.034 18717 3068 1 6 . 1 1 43 43 MET CA C 43 57.664 57.664 59.061 -1.397 18717 3069 1 6 . 1 1 43 43 MET CB C 43 30.833 30.833 32.567 -1.734 18717 3070 1 6 . 1 1 43 43 MET H H 43 9.073 9.073 8.176 0.897 18717 3071 1 6 . 1 1 44 44 LYS N N 44 122.276 122.276 119.261 3.015 18717 3072 1 6 . 1 1 44 44 LYS HA H 44 3.865 3.865 3.972 -0.107 18717 3073 1 6 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.212 0.272 18717 3074 1 6 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.078 -0.553 18717 3075 1 6 . 1 1 44 44 LYS H H 44 7.678 7.678 7.664 0.014 18717 3076 1 6 . 1 1 46 46 SER N N 46 113.504 113.504 113.507 -0.003 18717 3077 1 6 . 1 1 46 46 SER HA H 46 3.744 3.744 4.223 -0.479 18717 3078 1 6 . 1 1 46 46 SER CA C 46 61.358 61.358 60.846 0.512 18717 3079 1 6 . 1 1 46 46 SER CB C 46 62.674 62.674 62.912 -0.238 18717 3080 1 6 . 1 1 46 46 SER H H 46 8.467 8.467 7.930 0.537 18717 3081 1 6 . 1 1 47 47 LYS N N 47 120.235 120.235 120.737 -0.502 18717 3082 1 6 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.330 -0.375 18717 3083 1 6 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.222 0.592 18717 3084 1 6 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.715 0.298 18717 3085 1 6 . 1 1 47 47 LYS H H 47 7.659 7.659 7.388 0.271 18717 3086 1 6 . 1 1 48 48 ILE N N 48 120.699 120.699 118.743 1.956 18717 3087 1 6 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.855 -0.390 18717 3088 1 6 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.675 2.417 18717 3089 1 6 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.432 -0.485 18717 3090 1 6 . 1 1 48 48 ILE H H 48 7.803 7.803 7.231 0.572 18717 3091 1 6 . 1 1 49 49 LEU N N 49 118.686 118.686 118.411 0.275 18717 3092 1 6 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.111 -0.046 18717 3093 1 6 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.793 0.321 18717 3094 1 6 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.667 -0.074 18717 3095 1 6 . 1 1 49 49 LEU H H 49 8.671 8.671 7.655 1.016 18717 3096 1 6 . 1 1 50 50 GLY N N 50 103.264 103.264 105.002 -1.738 18717 3097 1 6 . 1 1 50 50 GLY CA C 50 44.546 44.546 45.020 -0.474 18717 3098 1 6 . 1 1 50 50 GLY H H 50 7.422 7.422 7.961 -0.539 18717 3099 1 6 . 1 1 51 51 LYS N N 51 121.616 121.616 120.883 0.733 18717 3100 1 6 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.340 -0.070 18717 3101 1 6 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.629 0.699 18717 3102 1 6 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.472 1.704 18717 3103 1 6 . 1 1 51 51 LYS H H 51 7.227 7.227 7.484 -0.257 18717 3104 1 6 . 1 1 52 52 THR N N 52 112.472 112.472 109.768 2.704 18717 3105 1 6 . 1 1 52 52 THR HA H 52 4.363 4.363 4.550 -0.187 18717 3106 1 6 . 1 1 52 52 THR CA C 52 60.280 60.280 59.933 0.347 18717 3107 1 6 . 1 1 52 52 THR CB C 52 69.989 69.989 71.650 -1.661 18717 3108 1 6 . 1 1 52 52 THR H H 52 8.298 8.298 7.670 0.628 18717 3109 1 6 . 1 1 53 53 ASN N N 53 118.660 118.660 117.685 0.975 18717 3110 1 6 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.533 -0.270 18717 3111 1 6 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.726 0.840 18717 3112 1 6 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.243 -0.053 18717 3113 1 6 . 1 1 53 53 ASN H H 53 8.739 8.739 8.719 0.020 18717 3114 1 6 . 1 1 54 54 LYS N N 54 116.241 116.241 117.827 -1.586 18717 3115 1 6 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.159 -0.075 18717 3116 1 6 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.784 -0.233 18717 3117 1 6 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.557 -0.179 18717 3118 1 6 . 1 1 54 54 LYS H H 54 7.949 7.949 7.864 0.085 18717 3119 1 6 . 1 1 55 55 GLN N N 55 116.389 116.389 117.058 -0.669 18717 3120 1 6 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.327 -0.144 18717 3121 1 6 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.828 -0.207 18717 3122 1 6 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.973 0.550 18717 3123 1 6 . 1 1 55 55 GLN H H 55 7.492 7.492 7.901 -0.409 18717 3124 1 6 . 1 1 56 56 LEU N N 56 120.014 120.014 122.085 -2.071 18717 3125 1 6 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.229 0.218 18717 3126 1 6 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.658 -0.333 18717 3127 1 6 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.349 0.675 18717 3128 1 6 . 1 1 56 56 LEU H H 56 7.137 7.137 8.021 -0.884 18717 3129 1 6 . 1 1 57 57 THR N N 57 115.673 115.673 118.526 -2.853 18717 3130 1 6 . 1 1 57 57 THR HA H 57 4.491 4.491 4.701 -0.210 18717 3131 1 6 . 1 1 57 57 THR CA C 57 59.638 59.638 60.096 -0.458 18717 3132 1 6 . 1 1 57 57 THR CB C 57 71.233 71.233 70.602 0.631 18717 3133 1 6 . 1 1 57 57 THR H H 57 8.986 8.986 7.916 1.070 18717 3134 1 6 . 1 1 58 58 ARG N N 58 121.180 121.180 120.994 0.186 18717 3135 1 6 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.001 -0.124 18717 3136 1 6 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.388 -0.570 18717 3137 1 6 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.930 -0.599 18717 3138 1 6 . 1 1 58 58 ARG H H 58 8.783 8.783 8.820 -0.037 18717 3139 1 6 . 1 1 59 59 SER N N 59 113.863 113.863 113.135 0.728 18717 3140 1 6 . 1 1 59 59 SER HA H 59 4.116 4.116 4.247 -0.131 18717 3141 1 6 . 1 1 59 59 SER CA C 59 60.988 60.988 61.789 -0.801 18717 3142 1 6 . 1 1 59 59 SER CB C 59 62.156 62.156 62.338 -0.182 18717 3143 1 6 . 1 1 59 59 SER H H 59 8.198 8.198 8.424 -0.226 18717 3144 1 6 . 1 1 60 60 ASP N N 60 122.780 122.780 121.400 1.380 18717 3145 1 6 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.482 -0.430 18717 3146 1 6 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.339 0.199 18717 3147 1 6 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.704 1.274 18717 3148 1 6 . 1 1 60 60 ASP H H 60 7.623 7.623 7.601 0.022 18717 3149 1 6 . 1 1 61 61 ARG N N 61 117.219 117.219 119.628 -2.409 18717 3150 1 6 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.117 -0.398 18717 3151 1 6 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.652 -0.115 18717 3152 1 6 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.578 -0.974 18717 3153 1 6 . 1 1 61 61 ARG H H 61 7.966 7.966 7.714 0.252 18717 3154 1 6 . 1 1 62 62 GLU N N 62 118.341 118.341 120.201 -1.860 18717 3155 1 6 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.139 -0.197 18717 3156 1 6 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.404 -0.368 18717 3157 1 6 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.969 0.514 18717 3158 1 6 . 1 1 62 62 GLU H H 62 7.556 7.556 8.126 -0.570 18717 3159 1 6 . 1 1 63 63 VAL N N 63 116.650 116.650 116.613 0.037 18717 3160 1 6 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.901 -0.320 18717 3161 1 6 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.767 -1.150 18717 3162 1 6 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.769 -1.488 18717 3163 1 6 . 1 1 63 63 VAL H H 63 7.398 7.398 7.607 -0.209 18717 3164 1 6 . 1 1 64 64 LEU N N 64 121.502 121.502 121.434 0.068 18717 3165 1 6 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.108 -0.400 18717 3166 1 6 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.282 -0.415 18717 3167 1 6 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.042 0.894 18717 3168 1 6 . 1 1 64 64 LEU H H 64 7.889 7.889 7.932 -0.043 18717 3169 1 6 . 1 1 65 65 ASP N N 65 119.200 119.200 118.391 0.809 18717 3170 1 6 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.442 -0.050 18717 3171 1 6 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.461 -0.199 18717 3172 1 6 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.983 -1.258 18717 3173 1 6 . 1 1 65 65 ASP H H 65 7.846 7.846 8.040 -0.194 18717 3174 1 6 . 1 1 66 66 ASN N N 66 120.252 120.252 119.334 0.918 18717 3175 1 6 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.651 -0.148 18717 3176 1 6 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.611 0.479 18717 3177 1 6 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.707 -0.688 18717 3178 1 6 . 1 1 66 66 ASN H H 66 7.480 7.480 7.780 -0.300 18717 3179 1 6 . 1 1 67 67 TRP N N 67 122.830 122.830 122.769 0.061 18717 3180 1 6 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.566 -0.067 18717 3181 1 6 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.503 -3.216 18717 3182 1 6 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.560 -1.496 18717 3183 1 6 . 1 1 67 67 TRP H H 67 8.730 8.730 8.820 -0.090 18717 3184 1 6 . 1 1 68 68 ARG N N 68 120.279 120.279 118.500 1.779 18717 3185 1 6 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.130 0.713 18717 3186 1 6 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.685 -0.508 18717 3187 1 6 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.844 -1.538 18717 3188 1 6 . 1 1 68 68 ARG H H 68 7.976 7.976 8.165 -0.189 18717 3189 1 6 . 1 1 69 69 GLU N N 69 121.656 121.656 120.646 1.010 18717 3190 1 6 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.194 0.088 18717 3191 1 6 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.154 0.151 18717 3192 1 6 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.232 0.750 18717 3193 1 6 . 1 1 69 69 GLU H H 69 8.676 8.676 7.876 0.800 18717 3194 1 6 . 1 1 70 70 LEU N N 70 120.066 120.066 117.148 2.918 18717 3195 1 6 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.277 -0.142 18717 3196 1 6 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.952 0.049 18717 3197 1 6 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.350 1.020 18717 3198 1 6 . 1 1 70 70 LEU H H 70 7.963 7.963 8.019 -0.056 18717 3199 1 6 . 1 1 71 71 GLU N N 71 118.326 118.326 119.717 -1.391 18717 3200 1 6 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.233 -0.668 18717 3201 1 6 . 1 1 71 71 GLU CA C 71 59.318 59.318 58.641 0.677 18717 3202 1 6 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.816 0.354 18717 3203 1 6 . 1 1 71 71 GLU H H 71 8.278 8.278 8.009 0.269 18717 3204 1 6 . 1 1 72 72 MET N N 72 117.881 117.881 114.519 3.362 18717 3205 1 6 . 1 1 72 72 MET HA H 72 4.163 4.163 4.635 -0.472 18717 3206 1 6 . 1 1 72 72 MET CA C 72 57.906 57.906 57.714 0.192 18717 3207 1 6 . 1 1 72 72 MET CB C 72 32.006 32.006 33.284 -1.278 18717 3208 1 6 . 1 1 72 72 MET H H 72 7.966 7.966 7.689 0.277 18717 3209 1 6 . 1 1 73 73 LYS N N 73 119.844 119.844 119.756 0.088 18717 3210 1 6 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.269 -0.212 18717 3211 1 6 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.872 0.245 18717 3212 1 6 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.104 0.289 18717 3213 1 6 . 1 1 73 73 LYS H H 73 7.959 7.959 7.803 0.156 18717 3214 1 6 . 1 1 74 74 ALA N N 74 120.588 120.588 121.255 -0.667 18717 3215 1 6 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.292 -0.275 18717 3216 1 6 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.287 0.823 18717 3217 1 6 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.070 -0.574 18717 3218 1 6 . 1 1 74 74 ALA H H 74 7.504 7.504 7.457 0.047 18717 3219 1 6 . 1 1 75 75 ARG N N 75 111.895 111.895 115.668 -3.773 18717 3220 1 6 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.950 -0.145 18717 3221 1 6 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.060 0.313 18717 3222 1 6 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.511 -0.115 18717 3223 1 6 . 1 1 75 75 ARG H H 75 7.550 7.550 7.741 -0.191 18717 3224 1 6 . 1 1 76 76 LYS N N 76 114.585 114.585 118.322 -3.737 18717 3225 1 6 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.295 -0.181 18717 3226 1 6 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.918 -0.416 18717 3227 1 6 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.505 -2.229 18717 3228 1 6 . 1 1 76 76 LYS H H 76 7.810 7.810 7.906 -0.096 18717 3229 1 6 . 1 1 77 77 ARG N N 77 119.199 119.199 125.670 -6.471 18717 3230 1 6 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.431 -0.383 18717 3231 1 6 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.361 0.329 18717 3232 1 6 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.789 0.687 18717 3233 1 6 . 1 1 77 77 ARG H H 77 7.916 7.916 8.411 -0.495 18717 3234 1 6 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.129 0.034 18717 3235 1 6 . 1 1 80 80 THR N N 80 110.230 110.230 113.278 -3.048 18717 3236 1 6 . 1 1 80 80 THR HA H 80 4.526 4.526 4.347 0.179 18717 3237 1 6 . 1 1 80 80 THR CA C 80 58.081 58.081 61.489 -3.408 18717 3238 1 6 . 1 1 80 80 THR CB C 80 67.980 67.980 70.493 -2.513 18717 3239 1 6 . 1 1 80 80 THR H H 80 6.530 6.530 7.392 -0.862 18717 3240 1 6 . 1 1 81 81 THR N N 81 114.552 114.552 113.500 1.052 18717 3241 1 6 . 1 1 81 81 THR HA H 81 4.260 4.260 3.373 0.887 18717 3242 1 6 . 1 1 81 81 THR CA C 81 61.767 61.767 62.360 -0.593 18717 3243 1 6 . 1 1 81 81 THR CB C 81 68.383 68.383 68.993 -0.610 18717 3244 1 6 . 1 1 81 81 THR H H 81 7.674 7.674 7.998 -0.324 18717 3245 1 6 . 1 1 82 82 LEU N N 82 127.155 127.155 123.260 3.895 18717 3246 1 6 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.621 -0.629 18717 3247 1 6 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.769 -2.055 18717 3248 1 6 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.015 -0.637 18717 3249 1 6 . 1 1 82 82 LEU H H 82 8.465 8.465 7.759 0.706 18717 3250 1 6 . 1 1 83 83 PHE N N 83 113.552 113.552 117.020 -3.468 18717 3251 1 6 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.839 0.083 18717 3252 1 6 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.761 -0.097 18717 3253 1 6 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.733 1.316 18717 3254 1 6 . 1 1 83 83 PHE H H 83 6.370 6.370 7.951 -1.581 18717 3255 1 6 . 1 1 84 84 PHE N N 84 116.628 116.628 114.050 2.578 18717 3256 1 6 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.432 -0.157 18717 3257 1 6 . 1 1 84 84 PHE CA C 84 55.351 55.351 57.116 -1.765 18717 3258 1 6 . 1 1 84 84 PHE CB C 84 42.823 42.823 42.077 0.746 18717 3259 1 6 . 1 1 84 84 PHE H H 84 9.579 9.579 7.884 1.695 18717 3260 1 6 . 1 1 85 85 ILE N N 85 113.827 113.827 115.665 -1.838 18717 3261 1 6 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.226 -0.084 18717 3262 1 6 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.330 -0.044 18717 3263 1 6 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.191 0.096 18717 3264 1 6 . 1 1 85 85 ILE H H 85 9.410 9.410 8.770 0.640 18717 3265 1 6 . 1 1 86 86 GLU N N 86 124.724 124.724 125.831 -1.107 18717 3266 1 6 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.095 -0.470 18717 3267 1 6 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.492 0.224 18717 3268 1 6 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.559 -0.549 18717 3269 1 6 . 1 1 86 86 GLU H H 86 9.957 9.957 8.732 1.225 18717 3270 1 6 . 1 1 87 87 THR N N 87 106.336 106.336 111.391 -5.055 18717 3271 1 6 . 1 1 87 87 THR HA H 87 3.695 3.695 4.136 -0.441 18717 3272 1 6 . 1 1 87 87 THR CA C 87 63.680 63.680 64.753 -1.073 18717 3273 1 6 . 1 1 87 87 THR CB C 87 67.530 67.530 68.214 -0.684 18717 3274 1 6 . 1 1 87 87 THR H H 87 7.659 7.659 7.930 -0.271 18717 3275 1 6 . 1 1 88 88 ASP N N 88 119.814 119.814 120.329 -0.515 18717 3276 1 6 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.566 -0.352 18717 3277 1 6 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.001 1.497 18717 3278 1 6 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.027 -0.946 18717 3279 1 6 . 1 1 88 88 ASP H H 88 7.605 7.605 8.238 -0.633 18717 3280 1 6 . 1 1 89 89 ILE N N 89 113.246 113.246 119.156 -5.910 18717 3281 1 6 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.075 -0.261 18717 3282 1 6 . 1 1 89 89 ILE CA C 89 58.507 58.507 60.938 -2.431 18717 3283 1 6 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.153 -1.353 18717 3284 1 6 . 1 1 89 89 ILE H H 89 6.538 6.538 7.097 -0.559 18717 3285 1 6 . 1 1 90 90 ARG N N 90 119.499 119.499 122.231 -2.732 18717 3286 1 6 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.099 -0.483 18717 3287 1 6 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.766 0.299 18717 3288 1 6 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.428 0.465 18717 3289 1 6 . 1 1 90 90 ARG H H 90 7.721 7.721 8.386 -0.665 18717 3290 1 6 . 1 1 92 92 MET N N 92 113.492 113.492 116.707 -3.215 18717 3291 1 6 . 1 1 92 92 MET HA H 92 4.175 4.175 4.377 -0.202 18717 3292 1 6 . 1 1 92 92 MET CA C 92 55.799 55.799 56.292 -0.493 18717 3293 1 6 . 1 1 92 92 MET CB C 92 33.950 33.950 34.380 -0.430 18717 3294 1 6 . 1 1 92 92 MET H H 92 7.549 7.549 7.719 -0.170 18717 3295 1 6 . 1 1 93 93 LEU N N 93 117.943 117.943 118.724 -0.781 18717 3296 1 6 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.059 0.375 18717 3297 1 6 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.881 -4.026 18717 3298 1 6 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.176 0.683 18717 3299 1 6 . 1 1 93 93 LEU H H 93 7.297 7.297 7.856 -0.559 18717 3300 1 6 . 1 1 94 94 GLN N N 94 121.536 121.536 116.808 4.728 18717 3301 1 6 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.386 -0.218 18717 3302 1 6 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.207 0.884 18717 3303 1 6 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.446 -2.283 18717 3304 1 6 . 1 1 94 94 GLN H H 94 8.675 8.675 8.042 0.633 18717 3305 1 6 . 1 1 95 95 ASP N N 95 123.380 123.380 126.065 -2.685 18717 3306 1 6 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.351 -0.467 18717 3307 1 6 . 1 1 95 95 ASP CA C 95 58.493 58.493 57.080 1.413 18717 3308 1 6 . 1 1 95 95 ASP CB C 95 40.180 40.180 41.118 -0.938 18717 3309 1 6 . 1 1 95 95 ASP H H 95 8.804 8.804 8.872 -0.068 18717 3310 1 6 . 1 1 96 96 ARG N N 96 115.337 115.337 118.844 -3.507 18717 3311 1 6 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.358 -0.269 18717 3312 1 6 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.673 1.134 18717 3313 1 6 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.111 0.320 18717 3314 1 6 . 1 1 96 96 ARG H H 96 8.652 8.652 8.419 0.233 18717 3315 1 6 . 1 1 97 97 LEU N N 97 118.485 118.485 121.648 -3.163 18717 3316 1 6 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.245 0.145 18717 3317 1 6 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.027 -0.616 18717 3318 1 6 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.774 1.320 18717 3319 1 6 . 1 1 97 97 LEU H H 97 7.776 7.776 7.359 0.416 18717 3320 1 6 . 1 1 98 98 ARG N N 98 119.863 119.863 116.138 3.725 18717 3321 1 6 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.134 -0.225 18717 3322 1 6 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.365 5.926 18717 3323 1 6 . 1 1 98 98 ARG CB C 98 27.825 27.825 29.043 -1.218 18717 3324 1 6 . 1 1 98 98 ARG H H 98 7.553 7.553 7.400 0.153 18717 3325 1 6 . 1 1 100 100 SER N N 100 111.387 111.387 117.065 -5.678 18717 3326 1 6 . 1 1 100 100 SER HA H 100 4.360 4.360 4.420 -0.060 18717 3327 1 6 . 1 1 100 100 SER CA C 100 59.923 59.923 59.726 0.197 18717 3328 1 6 . 1 1 100 100 SER CB C 100 63.304 63.304 63.744 -0.440 18717 3329 1 6 . 1 1 100 100 SER H H 100 7.616 7.616 8.474 -0.858 18717 3330 1 6 . 1 1 101 101 PHE N N 101 123.367 123.367 123.474 -0.107 18717 3331 1 6 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.055 -0.349 18717 3332 1 6 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.123 1.593 18717 3333 1 6 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.717 -0.072 18717 3334 1 6 . 1 1 101 101 PHE H H 101 7.722 7.722 8.283 -0.561 18717 3335 1 6 . 1 1 102 102 ALA N N 102 117.466 117.466 117.932 -0.466 18717 3336 1 6 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.138 -0.262 18717 3337 1 6 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.717 -0.179 18717 3338 1 6 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.275 -0.145 18717 3339 1 6 . 1 1 102 102 ALA H H 102 8.525 8.525 8.846 -0.321 18717 3340 1 6 . 1 1 103 103 LYS N N 103 115.077 115.077 116.399 -1.322 18717 3341 1 6 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.463 -0.398 18717 3342 1 6 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.427 -0.691 18717 3343 1 6 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.212 -1.165 18717 3344 1 6 . 1 1 103 103 LYS H H 103 7.000 7.000 7.868 -0.868 18717 3345 1 6 . 1 1 104 104 ALA N N 104 119.948 119.948 123.136 -3.188 18717 3346 1 6 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.421 -0.613 18717 3347 1 6 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.679 0.320 18717 3348 1 6 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.729 -0.814 18717 3349 1 6 . 1 1 104 104 ALA H H 104 7.955 7.955 7.906 0.049 18717 3350 1 6 . 1 1 105 105 ILE N N 105 116.011 116.011 120.602 -4.591 18717 3351 1 6 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.938 -0.489 18717 3352 1 6 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.084 -0.885 18717 3353 1 6 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.290 -2.293 18717 3354 1 6 . 1 1 105 105 ILE H H 105 7.030 7.030 8.681 -1.651 18717 3355 1 6 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.511 -0.478 18717 3356 1 6 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.682 0.240 18717 3357 1 6 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.845 0.118 18717 3358 1 6 . 1 1 107 107 CYS N N 107 115.533 115.533 116.490 -0.957 18717 3359 1 6 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.531 -0.657 18717 3360 1 6 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.235 0.702 18717 3361 1 6 . 1 1 107 107 CYS CB C 107 26.904 26.904 28.073 -1.169 18717 3362 1 6 . 1 1 107 107 CYS H H 107 6.558 6.558 7.808 -1.250 18717 3363 1 6 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.142 -0.289 18717 3364 1 6 . 1 1 109 109 ARG N N 109 120.576 120.576 117.188 3.388 18717 3365 1 6 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.322 0.070 18717 3366 1 6 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.158 0.303 18717 3367 1 6 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.677 0.590 18717 3368 1 6 . 1 1 109 109 ARG H H 109 8.507 8.507 7.670 0.837 18717 3369 1 6 . 1 1 110 110 HIS N N 110 122.218 122.218 121.576 0.642 18717 3370 1 6 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.360 -0.274 18717 3371 1 6 . 1 1 110 110 HIS CA C 110 60.758 60.758 58.503 2.255 18717 3372 1 6 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.601 1.294 18717 3373 1 6 . 1 1 110 110 HIS H H 110 7.998 7.998 8.055 -0.057 18717 3374 1 6 . 1 1 111 111 ILE N N 111 105.612 105.612 110.194 -4.582 18717 3375 1 6 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.209 0.121 18717 3376 1 6 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.031 -0.438 18717 3377 1 6 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.272 -1.322 18717 3378 1 6 . 1 1 111 111 ILE H H 111 6.904 6.904 7.194 -0.290 18717 3379 1 6 . 1 1 112 112 ARG N N 112 114.782 114.782 116.933 -2.151 18717 3380 1 6 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.064 -0.163 18717 3381 1 6 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.291 0.024 18717 3382 1 6 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.208 -0.968 18717 3383 1 6 . 1 1 112 112 ARG H H 112 7.660 7.660 7.873 -0.213 18717 3384 1 6 . 1 1 113 113 ARG N N 113 114.996 114.996 115.585 -0.589 18717 3385 1 6 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.513 -0.263 18717 3386 1 6 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.506 -0.852 18717 3387 1 6 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.159 -0.037 18717 3388 1 6 . 1 1 113 113 ARG H H 113 8.149 8.149 7.748 0.401 18717 3389 1 6 . 1 1 114 114 ILE N N 114 112.019 112.019 113.076 -1.057 18717 3390 1 6 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.971 -0.097 18717 3391 1 6 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.393 -2.791 18717 3392 1 6 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.590 0.811 18717 3393 1 6 . 1 1 114 114 ILE H H 114 6.810 6.810 7.316 -0.506 18717 3394 1 6 . 1 1 115 115 ARG N N 115 122.894 122.894 119.275 3.619 18717 3395 1 6 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.736 -0.379 18717 3396 1 6 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.354 -0.242 18717 3397 1 6 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.041 -1.983 18717 3398 1 6 . 1 1 115 115 ARG H H 115 8.822 8.822 8.430 0.392 18717 3399 1 6 . 1 1 116 116 GLU N N 116 118.962 118.962 118.762 0.200 18717 3400 1 6 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.806 0.509 18717 3401 1 6 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.745 -1.643 18717 3402 1 6 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.801 3.133 18717 3403 1 6 . 1 1 116 116 GLU H H 116 8.329 8.329 8.337 -0.008 18717 3404 1 6 . 1 1 117 117 GLU N N 117 124.627 124.627 124.538 0.089 18717 3405 1 6 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.614 -0.083 18717 3406 1 6 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.041 0.071 18717 3407 1 6 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.861 1.472 18717 3408 1 6 . 1 1 117 117 GLU H H 117 9.028 9.028 8.088 0.940 18717 3409 1 6 . 1 1 118 118 ARG N N 118 127.916 127.916 127.339 0.577 18717 3410 1 6 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.229 0.384 18717 3411 1 6 . 1 1 118 118 ARG CA C 118 55.793 55.793 56.192 -0.399 18717 3412 1 6 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.452 0.689 18717 3413 1 6 . 1 1 118 118 ARG H H 118 8.952 8.952 8.662 0.290 18717 3414 1 6 . 1 1 119 119 CYS N N 119 126.785 126.785 125.847 0.938 18717 3415 1 6 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.656 0.002 18717 3416 1 6 . 1 1 119 119 CYS CA C 119 56.448 56.448 56.527 -0.079 18717 3417 1 6 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.198 1.994 18717 3418 1 6 . 1 1 119 119 CYS H H 119 8.831 8.831 8.102 0.729 18717 3419 1 6 . 1 1 120 120 GLY N N 120 117.456 117.456 114.741 2.715 18717 3420 1 6 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.443 -0.931 18717 3421 1 6 . 1 1 120 120 GLY H H 120 8.873 8.873 8.154 0.719 18717 3422 1 6 . 1 1 122 122 LEU N N 122 121.777 121.777 118.691 3.086 18717 3423 1 6 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.558 -0.120 18717 3424 1 6 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.603 0.006 18717 3425 1 6 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.881 0.098 18717 3426 1 6 . 1 1 122 122 LEU H H 122 7.270 7.270 7.321 -0.051 18717 3427 1 6 . 1 1 123 123 THR N N 123 118.668 118.668 113.725 4.943 18717 3428 1 6 . 1 1 123 123 THR HA H 123 4.407 4.407 4.719 -0.312 18717 3429 1 6 . 1 1 123 123 THR CA C 123 61.769 61.769 61.606 0.163 18717 3430 1 6 . 1 1 123 123 THR CB C 123 69.263 69.263 70.972 -1.709 18717 3431 1 6 . 1 1 123 123 THR H H 123 7.649 7.649 8.042 -0.393 18717 3432 1 6 . 1 1 124 124 PHE N N 124 125.265 125.265 123.894 1.371 18717 3433 1 6 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.057 -0.786 18717 3434 1 6 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.048 1.539 18717 3435 1 6 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.080 0.948 18717 3436 1 6 . 1 1 124 124 PHE H H 124 8.553 8.553 8.265 0.288 18717 3437 1 6 . 1 1 125 125 TYR N N 125 118.544 118.544 116.034 2.510 18717 3438 1 6 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.719 0.567 18717 3439 1 6 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.534 -0.784 18717 3440 1 6 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.297 -0.180 18717 3441 1 6 . 1 1 125 125 TYR H H 125 8.616 8.616 8.026 0.590 18717 3442 1 6 . 1 1 126 126 TYR N N 126 115.848 115.848 118.272 -2.424 18717 3443 1 6 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.537 -0.277 18717 3444 1 6 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.078 0.850 18717 3445 1 6 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.621 -1.679 18717 3446 1 6 . 1 1 126 126 TYR H H 126 8.357 8.357 7.570 0.787 18717 3447 1 6 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.448 0.174 18717 3448 1 6 . 1 1 127 127 PRO CA C 127 62.929 62.929 63.067 -0.138 18717 3449 1 6 . 1 1 128 128 GLY N N 128 108.039 108.039 115.574 -7.535 18717 3450 1 6 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.966 -1.259 18717 3451 1 6 . 1 1 128 128 GLY H H 128 7.730 7.730 8.145 -0.415 18717 3452 1 6 . 1 1 129 129 SER N N 129 114.228 114.228 115.694 -1.466 18717 3453 1 6 . 1 1 129 129 SER HA H 129 4.438 4.438 4.526 -0.088 18717 3454 1 6 . 1 1 129 129 SER CA C 129 57.566 57.566 58.725 -1.159 18717 3455 1 6 . 1 1 129 129 SER CB C 129 63.772 63.772 63.766 0.006 18717 3456 1 6 . 1 1 129 129 SER H H 129 8.102 8.102 8.358 -0.256 18717 3457 1 7 . 1 1 3 3 ASP N N 3 120.763 120.763 119.346 1.417 18717 3458 1 7 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.933 -0.446 18717 3459 1 7 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.504 0.627 18717 3460 1 7 . 1 1 3 3 ASP CB C 3 40.887 40.887 41.150 -0.263 18717 3461 1 7 . 1 1 3 3 ASP H H 3 8.327 8.327 8.195 0.132 18717 3462 1 7 . 1 1 4 4 ILE N N 4 121.147 121.147 119.509 1.638 18717 3463 1 7 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.586 -0.541 18717 3464 1 7 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.776 1.947 18717 3465 1 7 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.654 -1.194 18717 3466 1 7 . 1 1 4 4 ILE H H 4 7.971 7.971 8.197 -0.226 18717 3467 1 7 . 1 1 5 5 ARG N N 5 123.685 123.685 122.124 1.561 18717 3468 1 7 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.162 0.309 18717 3469 1 7 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.261 -2.842 18717 3470 1 7 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.578 -0.435 18717 3471 1 7 . 1 1 5 5 ARG H H 5 8.067 8.067 8.462 -0.395 18717 3472 1 7 . 1 1 6 6 ILE N N 6 124.881 124.881 115.169 9.712 18717 3473 1 7 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.481 -0.698 18717 3474 1 7 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.663 1.778 18717 3475 1 7 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.496 -1.312 18717 3476 1 7 . 1 1 6 6 ILE H H 6 9.083 9.083 8.802 0.281 18717 3477 1 7 . 1 1 7 7 VAL N N 7 120.527 120.527 116.281 4.246 18717 3478 1 7 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.595 -0.504 18717 3479 1 7 . 1 1 7 7 VAL CA C 7 58.665 58.665 59.084 -0.419 18717 3480 1 7 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.149 -1.457 18717 3481 1 7 . 1 1 7 7 VAL H H 7 9.067 9.067 7.904 1.163 18717 3482 1 7 . 1 1 9 9 GLN N N 9 120.479 120.479 119.495 0.984 18717 3483 1 7 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.186 -0.326 18717 3484 1 7 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.269 -0.370 18717 3485 1 7 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.881 0.941 18717 3486 1 7 . 1 1 9 9 GLN H H 9 8.305 8.305 8.358 -0.053 18717 3487 1 7 . 1 1 10 10 ILE N N 10 125.746 125.746 115.990 9.756 18717 3488 1 7 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.516 -0.466 18717 3489 1 7 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.977 0.310 18717 3490 1 7 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.656 -2.506 18717 3491 1 7 . 1 1 10 10 ILE H H 10 10.040 10.040 8.165 1.875 18717 3492 1 7 . 1 1 11 11 THR HA H 11 4.459 4.459 4.435 0.024 18717 3493 1 7 . 1 1 11 11 THR CA C 11 60.124 60.124 60.668 -0.544 18717 3494 1 7 . 1 1 11 11 THR CB C 11 71.036 71.036 69.937 1.099 18717 3495 1 7 . 1 1 12 12 ASP N N 12 121.634 121.634 120.747 0.887 18717 3496 1 7 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.509 -0.276 18717 3497 1 7 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.514 0.277 18717 3498 1 7 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.664 0.180 18717 3499 1 7 . 1 1 12 12 ASP H H 12 8.892 8.892 8.791 0.101 18717 3500 1 7 . 1 1 13 13 GLU N N 13 117.207 117.207 117.739 -0.532 18717 3501 1 7 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.228 -0.379 18717 3502 1 7 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.510 1.173 18717 3503 1 7 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.674 -0.519 18717 3504 1 7 . 1 1 13 13 GLU H H 13 8.421 8.421 8.588 -0.167 18717 3505 1 7 . 1 1 14 14 GLU N N 14 118.579 118.579 118.331 0.248 18717 3506 1 7 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.292 -0.315 18717 3507 1 7 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.591 0.902 18717 3508 1 7 . 1 1 14 14 GLU CB C 14 31.415 31.415 29.846 1.569 18717 3509 1 7 . 1 1 14 14 GLU H H 14 7.647 7.647 7.562 0.085 18717 3510 1 7 . 1 1 15 15 PHE N N 15 122.867 122.867 122.101 0.766 18717 3511 1 7 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.385 -0.540 18717 3512 1 7 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.941 0.065 18717 3513 1 7 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.684 0.173 18717 3514 1 7 . 1 1 15 15 PHE H H 15 8.823 8.823 8.883 -0.060 18717 3515 1 7 . 1 1 16 16 LYS N N 16 115.192 115.192 116.290 -1.098 18717 3516 1 7 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.051 -0.088 18717 3517 1 7 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.145 -0.059 18717 3518 1 7 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.544 1.064 18717 3519 1 7 . 1 1 16 16 LYS H H 16 7.742 7.742 7.774 -0.032 18717 3520 1 7 . 1 1 17 17 THR N N 17 108.709 108.709 111.868 -3.159 18717 3521 1 7 . 1 1 17 17 THR HA H 17 4.269 4.269 4.232 0.037 18717 3522 1 7 . 1 1 17 17 THR CA C 17 61.767 61.767 63.388 -1.621 18717 3523 1 7 . 1 1 17 17 THR CB C 17 69.956 69.956 69.372 0.584 18717 3524 1 7 . 1 1 17 17 THR H H 17 7.518 7.518 7.366 0.152 18717 3525 1 7 . 1 1 18 18 ILE N N 18 124.707 124.707 124.320 0.387 18717 3526 1 7 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.497 -0.885 18717 3527 1 7 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.286 1.115 18717 3528 1 7 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.145 -0.862 18717 3529 1 7 . 1 1 18 18 ILE H H 18 7.063 7.063 7.285 -0.222 18717 3530 1 7 . 1 1 20 20 LYS N N 20 124.646 124.646 121.415 3.231 18717 3531 1 7 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.940 -0.231 18717 3532 1 7 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.984 0.196 18717 3533 1 7 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.529 -0.090 18717 3534 1 7 . 1 1 20 20 LYS H H 20 8.639 8.639 8.863 -0.224 18717 3535 1 7 . 1 1 21 21 TYR N N 21 115.093 115.093 118.001 -2.908 18717 3536 1 7 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.273 0.041 18717 3537 1 7 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.215 -1.301 18717 3538 1 7 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.695 -1.518 18717 3539 1 7 . 1 1 21 21 TYR H H 21 7.897 7.897 8.246 -0.349 18717 3540 1 7 . 1 1 22 22 GLN N N 22 119.745 119.745 116.694 3.051 18717 3541 1 7 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.302 -0.376 18717 3542 1 7 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.606 -0.000 18717 3543 1 7 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.758 -0.293 18717 3544 1 7 . 1 1 22 22 GLN H H 22 6.759 6.759 8.007 -1.248 18717 3545 1 7 . 1 1 23 23 LEU N N 23 118.619 118.619 118.081 0.538 18717 3546 1 7 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.061 -0.209 18717 3547 1 7 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.767 -0.198 18717 3548 1 7 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.318 1.272 18717 3549 1 7 . 1 1 23 23 LEU H H 23 7.115 7.115 7.629 -0.514 18717 3550 1 7 . 1 1 24 24 GLY N N 24 103.606 103.606 107.007 -3.401 18717 3551 1 7 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.687 0.236 18717 3552 1 7 . 1 1 24 24 GLY H H 24 7.541 7.541 8.249 -0.708 18717 3553 1 7 . 1 1 25 25 ARG N N 25 126.033 126.033 122.846 3.187 18717 3554 1 7 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.549 -0.269 18717 3555 1 7 . 1 1 25 25 ARG CA C 25 55.373 55.373 54.936 0.437 18717 3556 1 7 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.387 -0.441 18717 3557 1 7 . 1 1 25 25 ARG H H 25 8.850 8.850 8.139 0.711 18717 3558 1 7 . 1 1 26 26 LEU N N 26 121.287 121.287 121.053 0.234 18717 3559 1 7 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.466 -0.208 18717 3560 1 7 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.593 2.003 18717 3561 1 7 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.782 -1.036 18717 3562 1 7 . 1 1 26 26 LEU H H 26 8.017 8.017 7.497 0.520 18717 3563 1 7 . 1 1 27 27 THR N N 27 110.943 110.943 114.844 -3.901 18717 3564 1 7 . 1 1 27 27 THR HA H 27 4.626 4.626 4.583 0.043 18717 3565 1 7 . 1 1 27 27 THR CA C 27 58.272 58.272 60.173 -1.901 18717 3566 1 7 . 1 1 27 27 THR H H 27 7.129 7.129 7.924 -0.795 18717 3567 1 7 . 1 1 28 28 LEU N N 28 124.601 124.601 123.906 0.695 18717 3568 1 7 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.526 -0.299 18717 3569 1 7 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.788 -0.954 18717 3570 1 7 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.583 -1.671 18717 3571 1 7 . 1 1 28 28 LEU H H 28 8.404 8.404 8.068 0.336 18717 3572 1 7 . 1 1 29 29 GLU N N 29 117.021 117.021 118.366 -1.345 18717 3573 1 7 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.963 -0.077 18717 3574 1 7 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.514 0.453 18717 3575 1 7 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.183 -0.370 18717 3576 1 7 . 1 1 29 29 GLU H H 29 8.361 8.361 8.716 -0.355 18717 3577 1 7 . 1 1 30 30 MET N N 30 119.159 119.159 117.597 1.562 18717 3578 1 7 . 1 1 30 30 MET HA H 30 3.999 3.999 4.080 -0.081 18717 3579 1 7 . 1 1 30 30 MET CA C 30 58.946 58.946 58.767 0.179 18717 3580 1 7 . 1 1 30 30 MET CB C 30 31.941 31.941 32.499 -0.558 18717 3581 1 7 . 1 1 30 30 MET H H 30 7.541 7.541 7.661 -0.120 18717 3582 1 7 . 1 1 31 31 MET N N 31 117.316 117.316 117.181 0.135 18717 3583 1 7 . 1 1 31 31 MET HA H 31 3.833 3.833 4.001 -0.168 18717 3584 1 7 . 1 1 31 31 MET CA C 31 58.966 58.966 59.278 -0.312 18717 3585 1 7 . 1 1 31 31 MET CB C 31 32.253 32.253 32.248 0.005 18717 3586 1 7 . 1 1 31 31 MET H H 31 8.310 8.310 8.255 0.055 18717 3587 1 7 . 1 1 32 32 ASN N N 32 116.639 116.639 119.576 -2.937 18717 3588 1 7 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.393 0.565 18717 3589 1 7 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.941 -2.666 18717 3590 1 7 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.505 -1.590 18717 3591 1 7 . 1 1 32 32 ASN H H 32 8.728 8.728 8.552 0.176 18717 3592 1 7 . 1 1 33 33 GLU N N 33 125.338 125.338 119.454 5.884 18717 3593 1 7 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.136 0.050 18717 3594 1 7 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.658 0.853 18717 3595 1 7 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.155 0.073 18717 3596 1 7 . 1 1 33 33 GLU H H 33 7.918 7.918 7.976 -0.058 18717 3597 1 7 . 1 1 34 34 ILE N N 34 119.962 119.962 120.885 -0.923 18717 3598 1 7 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.615 -0.144 18717 3599 1 7 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.003 0.791 18717 3600 1 7 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.899 0.023 18717 3601 1 7 . 1 1 34 34 ILE H H 34 7.576 7.576 7.311 0.265 18717 3602 1 7 . 1 1 35 35 VAL N N 35 119.021 119.021 118.289 0.732 18717 3603 1 7 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.622 -0.047 18717 3604 1 7 . 1 1 35 35 VAL CA C 35 66.145 66.145 66.823 -0.678 18717 3605 1 7 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.247 0.252 18717 3606 1 7 . 1 1 35 35 VAL H H 35 8.657 8.657 8.395 0.262 18717 3607 1 7 . 1 1 36 36 SER N N 36 114.977 114.977 114.851 0.126 18717 3608 1 7 . 1 1 36 36 SER HA H 36 4.171 4.171 4.173 -0.002 18717 3609 1 7 . 1 1 36 36 SER CA C 36 61.604 61.604 61.689 -0.085 18717 3610 1 7 . 1 1 36 36 SER CB C 36 62.415 62.415 62.927 -0.512 18717 3611 1 7 . 1 1 36 36 SER H H 36 8.175 8.175 7.728 0.447 18717 3612 1 7 . 1 1 37 37 LYS N N 37 119.000 119.000 122.466 -3.466 18717 3613 1 7 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.060 0.117 18717 3614 1 7 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.607 -1.452 18717 3615 1 7 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.317 -1.937 18717 3616 1 7 . 1 1 37 37 LYS H H 37 7.283 7.283 7.654 -0.371 18717 3617 1 7 . 1 1 38 38 MET N N 38 119.061 119.061 115.489 3.572 18717 3618 1 7 . 1 1 38 38 MET HA H 38 3.430 3.430 3.677 -0.247 18717 3619 1 7 . 1 1 38 38 MET CA C 38 59.676 59.676 59.379 0.297 18717 3620 1 7 . 1 1 38 38 MET CB C 38 31.961 31.961 31.732 0.229 18717 3621 1 7 . 1 1 38 38 MET H H 38 7.740 7.740 7.999 -0.259 18717 3622 1 7 . 1 1 39 39 ASP N N 39 118.445 118.445 118.936 -0.491 18717 3623 1 7 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.449 -0.359 18717 3624 1 7 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.161 1.612 18717 3625 1 7 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.704 2.438 18717 3626 1 7 . 1 1 39 39 ASP H H 39 8.603 8.603 8.060 0.543 18717 3627 1 7 . 1 1 40 40 ASP N N 40 117.427 117.427 120.152 -2.725 18717 3628 1 7 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.378 -0.189 18717 3629 1 7 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.384 -0.057 18717 3630 1 7 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.789 0.252 18717 3631 1 7 . 1 1 40 40 ASP H H 40 8.397 8.397 7.632 0.765 18717 3632 1 7 . 1 1 41 41 PHE N N 41 119.507 119.507 119.907 -0.400 18717 3633 1 7 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.224 -0.253 18717 3634 1 7 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.893 1.269 18717 3635 1 7 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.115 0.383 18717 3636 1 7 . 1 1 41 41 PHE H H 41 8.248 8.248 7.782 0.466 18717 3637 1 7 . 1 1 42 42 LEU N N 42 118.072 118.072 119.968 -1.896 18717 3638 1 7 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.093 -0.368 18717 3639 1 7 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.705 -0.537 18717 3640 1 7 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.303 0.346 18717 3641 1 7 . 1 1 42 42 LEU H H 42 8.203 8.203 8.311 -0.108 18717 3642 1 7 . 1 1 43 43 MET N N 43 121.878 121.878 119.080 2.798 18717 3643 1 7 . 1 1 43 43 MET HA H 43 4.063 4.063 4.181 -0.118 18717 3644 1 7 . 1 1 43 43 MET CA C 43 57.664 57.664 59.108 -1.444 18717 3645 1 7 . 1 1 43 43 MET CB C 43 30.833 30.833 32.666 -1.833 18717 3646 1 7 . 1 1 43 43 MET H H 43 9.073 9.073 8.086 0.987 18717 3647 1 7 . 1 1 44 44 LYS N N 44 122.276 122.276 118.999 3.277 18717 3648 1 7 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.097 -0.232 18717 3649 1 7 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.367 0.117 18717 3650 1 7 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.242 -0.717 18717 3651 1 7 . 1 1 44 44 LYS H H 44 7.678 7.678 7.854 -0.176 18717 3652 1 7 . 1 1 46 46 SER N N 46 113.504 113.504 113.528 -0.024 18717 3653 1 7 . 1 1 46 46 SER HA H 46 3.744 3.744 4.109 -0.365 18717 3654 1 7 . 1 1 46 46 SER CA C 46 61.358 61.358 61.228 0.130 18717 3655 1 7 . 1 1 46 46 SER CB C 46 62.674 62.674 63.162 -0.488 18717 3656 1 7 . 1 1 46 46 SER H H 46 8.467 8.467 8.104 0.363 18717 3657 1 7 . 1 1 47 47 LYS N N 47 120.235 120.235 121.447 -1.212 18717 3658 1 7 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.425 -0.470 18717 3659 1 7 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.153 0.661 18717 3660 1 7 . 1 1 47 47 LYS CB C 47 32.013 32.013 32.001 0.012 18717 3661 1 7 . 1 1 47 47 LYS H H 47 7.659 7.659 7.521 0.138 18717 3662 1 7 . 1 1 48 48 ILE N N 48 120.699 120.699 118.974 1.725 18717 3663 1 7 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.937 -0.472 18717 3664 1 7 . 1 1 48 48 ILE CA C 48 66.092 66.092 64.000 2.092 18717 3665 1 7 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.517 -0.570 18717 3666 1 7 . 1 1 48 48 ILE H H 48 7.803 7.803 7.409 0.394 18717 3667 1 7 . 1 1 49 49 LEU N N 49 118.686 118.686 118.360 0.326 18717 3668 1 7 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.140 -0.075 18717 3669 1 7 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.575 0.539 18717 3670 1 7 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.675 -0.082 18717 3671 1 7 . 1 1 49 49 LEU H H 49 8.671 8.671 7.632 1.039 18717 3672 1 7 . 1 1 50 50 GLY N N 50 103.264 103.264 106.178 -2.914 18717 3673 1 7 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.940 -0.394 18717 3674 1 7 . 1 1 50 50 GLY H H 50 7.422 7.422 7.579 -0.157 18717 3675 1 7 . 1 1 51 51 LYS N N 51 121.616 121.616 120.768 0.848 18717 3676 1 7 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.304 -0.034 18717 3677 1 7 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.962 0.365 18717 3678 1 7 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.561 1.615 18717 3679 1 7 . 1 1 51 51 LYS H H 51 7.227 7.227 7.648 -0.421 18717 3680 1 7 . 1 1 52 52 THR N N 52 112.472 112.472 112.254 0.218 18717 3681 1 7 . 1 1 52 52 THR HA H 52 4.363 4.363 4.687 -0.324 18717 3682 1 7 . 1 1 52 52 THR CA C 52 60.280 60.280 59.921 0.359 18717 3683 1 7 . 1 1 52 52 THR CB C 52 69.989 69.989 70.803 -0.814 18717 3684 1 7 . 1 1 52 52 THR H H 52 8.298 8.298 7.829 0.469 18717 3685 1 7 . 1 1 53 53 ASN N N 53 118.660 118.660 119.790 -1.130 18717 3686 1 7 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.468 -0.205 18717 3687 1 7 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.341 1.225 18717 3688 1 7 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.194 -0.004 18717 3689 1 7 . 1 1 53 53 ASN H H 53 8.739 8.739 8.756 -0.017 18717 3690 1 7 . 1 1 54 54 LYS N N 54 116.241 116.241 118.060 -1.819 18717 3691 1 7 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.108 -0.024 18717 3692 1 7 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.117 -0.566 18717 3693 1 7 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.202 0.176 18717 3694 1 7 . 1 1 54 54 LYS H H 54 7.949 7.949 7.859 0.090 18717 3695 1 7 . 1 1 55 55 GLN N N 55 116.389 116.389 116.673 -0.284 18717 3696 1 7 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.293 -0.110 18717 3697 1 7 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.850 -0.229 18717 3698 1 7 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.117 0.406 18717 3699 1 7 . 1 1 55 55 GLN H H 55 7.492 7.492 7.642 -0.150 18717 3700 1 7 . 1 1 56 56 LEU N N 56 120.014 120.014 122.409 -2.395 18717 3701 1 7 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.196 0.251 18717 3702 1 7 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.868 -0.543 18717 3703 1 7 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.445 0.579 18717 3704 1 7 . 1 1 56 56 LEU H H 56 7.137 7.137 8.042 -0.905 18717 3705 1 7 . 1 1 57 57 THR N N 57 115.673 115.673 117.133 -1.460 18717 3706 1 7 . 1 1 57 57 THR HA H 57 4.491 4.491 4.633 -0.142 18717 3707 1 7 . 1 1 57 57 THR CA C 57 59.638 59.638 60.135 -0.497 18717 3708 1 7 . 1 1 57 57 THR CB C 57 71.233 71.233 70.541 0.692 18717 3709 1 7 . 1 1 57 57 THR H H 57 8.986 8.986 7.899 1.087 18717 3710 1 7 . 1 1 58 58 ARG N N 58 121.180 121.180 121.462 -0.282 18717 3711 1 7 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.028 -0.151 18717 3712 1 7 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.477 0.340 18717 3713 1 7 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.867 -0.536 18717 3714 1 7 . 1 1 58 58 ARG H H 58 8.783 8.783 8.726 0.057 18717 3715 1 7 . 1 1 59 59 SER N N 59 113.863 113.863 113.265 0.598 18717 3716 1 7 . 1 1 59 59 SER HA H 59 4.116 4.116 4.112 0.004 18717 3717 1 7 . 1 1 59 59 SER CA C 59 60.988 60.988 61.257 -0.269 18717 3718 1 7 . 1 1 59 59 SER CB C 59 62.156 62.156 62.464 -0.308 18717 3719 1 7 . 1 1 59 59 SER H H 59 8.198 8.198 8.535 -0.337 18717 3720 1 7 . 1 1 60 60 ASP N N 60 122.780 122.780 121.437 1.343 18717 3721 1 7 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.544 -0.492 18717 3722 1 7 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.359 0.179 18717 3723 1 7 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.925 1.053 18717 3724 1 7 . 1 1 60 60 ASP H H 60 7.623 7.623 7.678 -0.055 18717 3725 1 7 . 1 1 61 61 ARG N N 61 117.219 117.219 119.620 -2.401 18717 3726 1 7 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.111 -0.392 18717 3727 1 7 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.506 0.031 18717 3728 1 7 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.584 -0.980 18717 3729 1 7 . 1 1 61 61 ARG H H 61 7.966 7.966 7.913 0.053 18717 3730 1 7 . 1 1 62 62 GLU N N 62 118.341 118.341 120.310 -1.969 18717 3731 1 7 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.083 -0.141 18717 3732 1 7 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.382 -0.346 18717 3733 1 7 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.948 0.535 18717 3734 1 7 . 1 1 62 62 GLU H H 62 7.556 7.556 8.486 -0.930 18717 3735 1 7 . 1 1 63 63 VAL N N 63 116.650 116.650 116.289 0.361 18717 3736 1 7 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.385 0.196 18717 3737 1 7 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.797 -0.180 18717 3738 1 7 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.744 -0.463 18717 3739 1 7 . 1 1 63 63 VAL H H 63 7.398 7.398 7.488 -0.090 18717 3740 1 7 . 1 1 64 64 LEU N N 64 121.502 121.502 122.223 -0.721 18717 3741 1 7 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.361 -0.653 18717 3742 1 7 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.350 -0.483 18717 3743 1 7 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.144 0.792 18717 3744 1 7 . 1 1 64 64 LEU H H 64 7.889 7.889 7.875 0.014 18717 3745 1 7 . 1 1 65 65 ASP N N 65 119.200 119.200 118.577 0.623 18717 3746 1 7 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.407 -0.015 18717 3747 1 7 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.543 -0.281 18717 3748 1 7 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.729 -1.004 18717 3749 1 7 . 1 1 65 65 ASP H H 65 7.846 7.846 7.985 -0.139 18717 3750 1 7 . 1 1 66 66 ASN N N 66 120.252 120.252 119.051 1.201 18717 3751 1 7 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.534 -0.031 18717 3752 1 7 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.090 -0.000 18717 3753 1 7 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.815 -0.796 18717 3754 1 7 . 1 1 66 66 ASN H H 66 7.480 7.480 7.574 -0.094 18717 3755 1 7 . 1 1 67 67 TRP N N 67 122.830 122.830 121.047 1.783 18717 3756 1 7 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.551 -0.052 18717 3757 1 7 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.008 -2.721 18717 3758 1 7 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.861 -0.797 18717 3759 1 7 . 1 1 67 67 TRP H H 67 8.730 8.730 8.545 0.185 18717 3760 1 7 . 1 1 68 68 ARG N N 68 120.279 120.279 117.428 2.851 18717 3761 1 7 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.383 0.460 18717 3762 1 7 . 1 1 68 68 ARG CA C 68 58.177 58.177 57.969 0.208 18717 3763 1 7 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.811 -1.504 18717 3764 1 7 . 1 1 68 68 ARG H H 68 7.976 7.976 8.033 -0.057 18717 3765 1 7 . 1 1 69 69 GLU N N 69 121.656 121.656 120.861 0.795 18717 3766 1 7 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.234 0.048 18717 3767 1 7 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.014 0.291 18717 3768 1 7 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.207 0.775 18717 3769 1 7 . 1 1 69 69 GLU H H 69 8.676 8.676 7.743 0.933 18717 3770 1 7 . 1 1 70 70 LEU N N 70 120.066 120.066 117.673 2.393 18717 3771 1 7 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.295 -0.160 18717 3772 1 7 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.233 -0.232 18717 3773 1 7 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.285 1.085 18717 3774 1 7 . 1 1 70 70 LEU H H 70 7.963 7.963 8.148 -0.185 18717 3775 1 7 . 1 1 71 71 GLU N N 71 118.326 118.326 120.107 -1.781 18717 3776 1 7 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.280 -0.716 18717 3777 1 7 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.523 -0.205 18717 3778 1 7 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.372 -0.202 18717 3779 1 7 . 1 1 71 71 GLU H H 71 8.278 8.278 8.204 0.074 18717 3780 1 7 . 1 1 72 72 MET N N 72 117.881 117.881 114.454 3.427 18717 3781 1 7 . 1 1 72 72 MET HA H 72 4.163 4.163 4.634 -0.471 18717 3782 1 7 . 1 1 72 72 MET CA C 72 57.906 57.906 57.477 0.429 18717 3783 1 7 . 1 1 72 72 MET CB C 72 32.006 32.006 33.027 -1.021 18717 3784 1 7 . 1 1 72 72 MET H H 72 7.966 7.966 7.742 0.224 18717 3785 1 7 . 1 1 73 73 LYS N N 73 119.844 119.844 119.555 0.289 18717 3786 1 7 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.266 -0.209 18717 3787 1 7 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.871 0.246 18717 3788 1 7 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.512 -0.119 18717 3789 1 7 . 1 1 73 73 LYS H H 73 7.959 7.959 7.728 0.231 18717 3790 1 7 . 1 1 74 74 ALA N N 74 120.588 120.588 119.604 0.984 18717 3791 1 7 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.297 -0.280 18717 3792 1 7 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.070 1.040 18717 3793 1 7 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.109 -0.613 18717 3794 1 7 . 1 1 74 74 ALA H H 74 7.504 7.504 7.506 -0.002 18717 3795 1 7 . 1 1 75 75 ARG N N 75 111.895 111.895 116.954 -5.059 18717 3796 1 7 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.914 -0.109 18717 3797 1 7 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.389 -0.016 18717 3798 1 7 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.744 -0.348 18717 3799 1 7 . 1 1 75 75 ARG H H 75 7.550 7.550 7.799 -0.249 18717 3800 1 7 . 1 1 76 76 LYS N N 76 114.585 114.585 118.295 -3.710 18717 3801 1 7 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.306 -0.192 18717 3802 1 7 . 1 1 76 76 LYS CA C 76 55.502 55.502 56.098 -0.596 18717 3803 1 7 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.039 -2.763 18717 3804 1 7 . 1 1 76 76 LYS H H 76 7.810 7.810 8.159 -0.349 18717 3805 1 7 . 1 1 77 77 ARG N N 77 119.199 119.199 124.187 -4.988 18717 3806 1 7 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.223 -0.175 18717 3807 1 7 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.544 0.146 18717 3808 1 7 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.608 0.869 18717 3809 1 7 . 1 1 77 77 ARG H H 77 7.916 7.916 8.493 -0.577 18717 3810 1 7 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.153 0.010 18717 3811 1 7 . 1 1 80 80 THR N N 80 110.230 110.230 113.341 -3.111 18717 3812 1 7 . 1 1 80 80 THR HA H 80 4.526 4.526 4.242 0.284 18717 3813 1 7 . 1 1 80 80 THR CA C 80 58.081 58.081 61.294 -3.213 18717 3814 1 7 . 1 1 80 80 THR CB C 80 67.980 67.980 69.564 -1.584 18717 3815 1 7 . 1 1 80 80 THR H H 80 6.530 6.530 7.517 -0.987 18717 3816 1 7 . 1 1 81 81 THR N N 81 114.552 114.552 115.311 -0.759 18717 3817 1 7 . 1 1 81 81 THR HA H 81 4.260 4.260 3.774 0.486 18717 3818 1 7 . 1 1 81 81 THR CA C 81 61.767 61.767 62.413 -0.646 18717 3819 1 7 . 1 1 81 81 THR CB C 81 68.383 68.383 69.266 -0.883 18717 3820 1 7 . 1 1 81 81 THR H H 81 7.674 7.674 8.164 -0.490 18717 3821 1 7 . 1 1 82 82 LEU N N 82 127.155 127.155 123.827 3.328 18717 3822 1 7 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.188 -0.196 18717 3823 1 7 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.678 -0.964 18717 3824 1 7 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.830 -1.452 18717 3825 1 7 . 1 1 82 82 LEU H H 82 8.465 8.465 7.542 0.923 18717 3826 1 7 . 1 1 83 83 PHE N N 83 113.552 113.552 117.199 -3.647 18717 3827 1 7 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.644 0.278 18717 3828 1 7 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.679 -0.015 18717 3829 1 7 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.565 1.484 18717 3830 1 7 . 1 1 83 83 PHE H H 83 6.370 6.370 7.005 -0.635 18717 3831 1 7 . 1 1 84 84 PHE N N 84 116.628 116.628 115.987 0.641 18717 3832 1 7 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.113 0.162 18717 3833 1 7 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.510 -1.159 18717 3834 1 7 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.580 1.244 18717 3835 1 7 . 1 1 84 84 PHE H H 84 9.579 9.579 7.745 1.834 18717 3836 1 7 . 1 1 85 85 ILE N N 85 113.827 113.827 115.526 -1.699 18717 3837 1 7 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.111 0.031 18717 3838 1 7 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.487 -0.201 18717 3839 1 7 . 1 1 85 85 ILE CB C 85 41.287 41.287 40.733 0.554 18717 3840 1 7 . 1 1 85 85 ILE H H 85 9.410 9.410 8.298 1.112 18717 3841 1 7 . 1 1 86 86 GLU N N 86 124.724 124.724 125.214 -0.490 18717 3842 1 7 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.238 -0.613 18717 3843 1 7 . 1 1 86 86 GLU CA C 86 60.716 60.716 59.995 0.721 18717 3844 1 7 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.704 -0.694 18717 3845 1 7 . 1 1 86 86 GLU H H 86 9.957 9.957 8.677 1.280 18717 3846 1 7 . 1 1 87 87 THR N N 87 106.336 106.336 112.585 -6.249 18717 3847 1 7 . 1 1 87 87 THR HA H 87 3.695 3.695 4.178 -0.483 18717 3848 1 7 . 1 1 87 87 THR CA C 87 63.680 63.680 65.038 -1.358 18717 3849 1 7 . 1 1 87 87 THR CB C 87 67.530 67.530 68.276 -0.746 18717 3850 1 7 . 1 1 87 87 THR H H 87 7.659 7.659 8.133 -0.474 18717 3851 1 7 . 1 1 88 88 ASP N N 88 119.814 119.814 119.642 0.172 18717 3852 1 7 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.909 -0.695 18717 3853 1 7 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.252 2.246 18717 3854 1 7 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.249 -1.168 18717 3855 1 7 . 1 1 88 88 ASP H H 88 7.605 7.605 7.829 -0.224 18717 3856 1 7 . 1 1 89 89 ILE N N 89 113.246 113.246 118.334 -5.088 18717 3857 1 7 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.427 -0.613 18717 3858 1 7 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.811 -3.304 18717 3859 1 7 . 1 1 89 89 ILE CB C 89 36.800 36.800 40.084 -3.284 18717 3860 1 7 . 1 1 89 89 ILE H H 89 6.538 6.538 7.538 -1.000 18717 3861 1 7 . 1 1 90 90 ARG N N 90 119.499 119.499 123.411 -3.912 18717 3862 1 7 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.166 -0.550 18717 3863 1 7 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.389 0.676 18717 3864 1 7 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.442 0.451 18717 3865 1 7 . 1 1 90 90 ARG H H 90 7.721 7.721 8.725 -1.004 18717 3866 1 7 . 1 1 92 92 MET N N 92 113.492 113.492 116.603 -3.111 18717 3867 1 7 . 1 1 92 92 MET HA H 92 4.175 4.175 4.473 -0.298 18717 3868 1 7 . 1 1 92 92 MET CA C 92 55.799 55.799 56.234 -0.435 18717 3869 1 7 . 1 1 92 92 MET CB C 92 33.950 33.950 34.244 -0.294 18717 3870 1 7 . 1 1 92 92 MET H H 92 7.549 7.549 7.846 -0.297 18717 3871 1 7 . 1 1 93 93 LEU N N 93 117.943 117.943 118.369 -0.426 18717 3872 1 7 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.192 0.242 18717 3873 1 7 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.354 -3.499 18717 3874 1 7 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.263 0.596 18717 3875 1 7 . 1 1 93 93 LEU H H 93 7.297 7.297 7.475 -0.178 18717 3876 1 7 . 1 1 94 94 GLN N N 94 121.536 121.536 116.671 4.865 18717 3877 1 7 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.405 -0.237 18717 3878 1 7 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.056 1.035 18717 3879 1 7 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.655 -2.492 18717 3880 1 7 . 1 1 94 94 GLN H H 94 8.675 8.675 8.265 0.410 18717 3881 1 7 . 1 1 95 95 ASP N N 95 123.380 123.380 125.605 -2.225 18717 3882 1 7 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.426 -0.542 18717 3883 1 7 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.538 1.955 18717 3884 1 7 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.970 -0.790 18717 3885 1 7 . 1 1 95 95 ASP H H 95 8.804 8.804 8.862 -0.058 18717 3886 1 7 . 1 1 96 96 ARG N N 96 115.337 115.337 114.903 0.434 18717 3887 1 7 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.462 -0.373 18717 3888 1 7 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.090 1.717 18717 3889 1 7 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.108 -0.677 18717 3890 1 7 . 1 1 96 96 ARG H H 96 8.652 8.652 7.877 0.775 18717 3891 1 7 . 1 1 97 97 LEU N N 97 118.485 118.485 121.100 -2.615 18717 3892 1 7 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.180 0.210 18717 3893 1 7 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.365 -0.954 18717 3894 1 7 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.661 1.433 18717 3895 1 7 . 1 1 97 97 LEU H H 97 7.776 7.776 7.568 0.208 18717 3896 1 7 . 1 1 98 98 ARG N N 98 119.863 119.863 115.270 4.593 18717 3897 1 7 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.045 -0.136 18717 3898 1 7 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.710 5.581 18717 3899 1 7 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.392 -0.567 18717 3900 1 7 . 1 1 98 98 ARG H H 98 7.553 7.553 7.754 -0.201 18717 3901 1 7 . 1 1 100 100 SER N N 100 111.387 111.387 117.148 -5.761 18717 3902 1 7 . 1 1 100 100 SER HA H 100 4.360 4.360 4.383 -0.023 18717 3903 1 7 . 1 1 100 100 SER CA C 100 59.923 59.923 59.721 0.202 18717 3904 1 7 . 1 1 100 100 SER CB C 100 63.304 63.304 64.213 -0.909 18717 3905 1 7 . 1 1 100 100 SER H H 100 7.616 7.616 8.629 -1.013 18717 3906 1 7 . 1 1 101 101 PHE N N 101 123.367 123.367 123.351 0.016 18717 3907 1 7 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.074 -0.368 18717 3908 1 7 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.300 1.416 18717 3909 1 7 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.574 0.071 18717 3910 1 7 . 1 1 101 101 PHE H H 101 7.722 7.722 8.294 -0.572 18717 3911 1 7 . 1 1 102 102 ALA N N 102 117.466 117.466 117.869 -0.403 18717 3912 1 7 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.101 -0.225 18717 3913 1 7 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.625 -0.087 18717 3914 1 7 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.391 -0.261 18717 3915 1 7 . 1 1 102 102 ALA H H 102 8.525 8.525 8.802 -0.277 18717 3916 1 7 . 1 1 103 103 LYS N N 103 115.077 115.077 116.565 -1.488 18717 3917 1 7 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.268 -0.203 18717 3918 1 7 . 1 1 103 103 LYS CA C 103 56.736 56.736 56.782 -0.046 18717 3919 1 7 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.144 -1.097 18717 3920 1 7 . 1 1 103 103 LYS H H 103 7.000 7.000 7.975 -0.975 18717 3921 1 7 . 1 1 104 104 ALA N N 104 119.948 119.948 122.139 -2.191 18717 3922 1 7 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.314 -0.506 18717 3923 1 7 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.552 0.447 18717 3924 1 7 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.658 -0.743 18717 3925 1 7 . 1 1 104 104 ALA H H 104 7.955 7.955 7.726 0.229 18717 3926 1 7 . 1 1 105 105 ILE N N 105 116.011 116.011 120.348 -4.337 18717 3927 1 7 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.937 -0.488 18717 3928 1 7 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.178 -0.979 18717 3929 1 7 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.070 -2.073 18717 3930 1 7 . 1 1 105 105 ILE H H 105 7.030 7.030 8.584 -1.554 18717 3931 1 7 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.492 -0.459 18717 3932 1 7 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.841 0.081 18717 3933 1 7 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.951 0.012 18717 3934 1 7 . 1 1 107 107 CYS N N 107 115.533 115.533 115.533 0.000 18717 3935 1 7 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.495 -0.622 18717 3936 1 7 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.197 0.740 18717 3937 1 7 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.555 0.349 18717 3938 1 7 . 1 1 107 107 CYS H H 107 6.558 6.558 7.980 -1.422 18717 3939 1 7 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.376 -0.523 18717 3940 1 7 . 1 1 109 109 ARG N N 109 120.576 120.576 118.101 2.475 18717 3941 1 7 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.314 0.078 18717 3942 1 7 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.409 0.052 18717 3943 1 7 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.640 0.627 18717 3944 1 7 . 1 1 109 109 ARG H H 109 8.507 8.507 7.876 0.631 18717 3945 1 7 . 1 1 110 110 HIS N N 110 122.218 122.218 121.667 0.551 18717 3946 1 7 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.339 -0.253 18717 3947 1 7 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.213 1.545 18717 3948 1 7 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.756 1.139 18717 3949 1 7 . 1 1 110 110 HIS H H 110 7.998 7.998 8.382 -0.384 18717 3950 1 7 . 1 1 111 111 ILE N N 111 105.612 105.612 109.781 -4.169 18717 3951 1 7 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.150 0.180 18717 3952 1 7 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.631 -0.038 18717 3953 1 7 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.399 -1.449 18717 3954 1 7 . 1 1 111 111 ILE H H 111 6.904 6.904 7.131 -0.227 18717 3955 1 7 . 1 1 112 112 ARG N N 112 114.782 114.782 117.867 -3.085 18717 3956 1 7 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.089 -0.188 18717 3957 1 7 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.858 0.457 18717 3958 1 7 . 1 1 112 112 ARG CB C 112 26.240 26.240 28.101 -1.861 18717 3959 1 7 . 1 1 112 112 ARG H H 112 7.660 7.660 7.966 -0.306 18717 3960 1 7 . 1 1 113 113 ARG N N 113 114.996 114.996 117.854 -2.858 18717 3961 1 7 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.473 -0.223 18717 3962 1 7 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.457 -0.803 18717 3963 1 7 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.039 0.083 18717 3964 1 7 . 1 1 113 113 ARG H H 113 8.149 8.149 7.741 0.408 18717 3965 1 7 . 1 1 114 114 ILE N N 114 112.019 112.019 111.045 0.974 18717 3966 1 7 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.007 -0.133 18717 3967 1 7 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.319 -2.716 18717 3968 1 7 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.661 0.739 18717 3969 1 7 . 1 1 114 114 ILE H H 114 6.810 6.810 7.338 -0.528 18717 3970 1 7 . 1 1 115 115 ARG N N 115 122.894 122.894 118.799 4.095 18717 3971 1 7 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.708 -0.351 18717 3972 1 7 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.384 -0.272 18717 3973 1 7 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.023 -1.964 18717 3974 1 7 . 1 1 115 115 ARG H H 115 8.822 8.822 8.191 0.631 18717 3975 1 7 . 1 1 116 116 GLU N N 116 118.962 118.962 118.752 0.210 18717 3976 1 7 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.843 0.472 18717 3977 1 7 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.532 -1.430 18717 3978 1 7 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.711 3.223 18717 3979 1 7 . 1 1 116 116 GLU H H 116 8.329 8.329 8.315 0.014 18717 3980 1 7 . 1 1 117 117 GLU N N 117 124.627 124.627 125.338 -0.711 18717 3981 1 7 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.643 -0.112 18717 3982 1 7 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.989 0.123 18717 3983 1 7 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.880 1.453 18717 3984 1 7 . 1 1 117 117 GLU H H 117 9.028 9.028 8.385 0.643 18717 3985 1 7 . 1 1 118 118 ARG N N 118 127.916 127.916 126.632 1.284 18717 3986 1 7 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.409 0.203 18717 3987 1 7 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.861 -0.068 18717 3988 1 7 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.296 0.846 18717 3989 1 7 . 1 1 118 118 ARG H H 118 8.952 8.952 8.550 0.402 18717 3990 1 7 . 1 1 119 119 CYS N N 119 126.785 126.785 125.942 0.843 18717 3991 1 7 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.598 0.060 18717 3992 1 7 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.740 -2.292 18717 3993 1 7 . 1 1 119 119 CYS CB C 119 28.192 28.192 28.200 -0.008 18717 3994 1 7 . 1 1 119 119 CYS H H 119 8.831 8.831 8.161 0.670 18717 3995 1 7 . 1 1 120 120 GLY N N 120 117.456 117.456 114.506 2.950 18717 3996 1 7 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.110 -0.598 18717 3997 1 7 . 1 1 120 120 GLY H H 120 8.873 8.873 8.440 0.433 18717 3998 1 7 . 1 1 122 122 LEU N N 122 121.777 121.777 118.620 3.157 18717 3999 1 7 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.464 -0.026 18717 4000 1 7 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.870 -0.261 18717 4001 1 7 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.406 -1.427 18717 4002 1 7 . 1 1 122 122 LEU H H 122 7.270 7.270 7.769 -0.499 18717 4003 1 7 . 1 1 123 123 THR N N 123 118.668 118.668 113.731 4.937 18717 4004 1 7 . 1 1 123 123 THR HA H 123 4.407 4.407 4.640 -0.233 18717 4005 1 7 . 1 1 123 123 THR CA C 123 61.769 61.769 61.597 0.172 18717 4006 1 7 . 1 1 123 123 THR CB C 123 69.263 69.263 70.082 -0.819 18717 4007 1 7 . 1 1 123 123 THR H H 123 7.649 7.649 8.041 -0.392 18717 4008 1 7 . 1 1 124 124 PHE N N 124 125.265 125.265 124.061 1.204 18717 4009 1 7 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.053 -0.782 18717 4010 1 7 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.268 1.319 18717 4011 1 7 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.485 0.543 18717 4012 1 7 . 1 1 124 124 PHE H H 124 8.553 8.553 8.238 0.315 18717 4013 1 7 . 1 1 125 125 TYR N N 125 118.544 118.544 116.417 2.127 18717 4014 1 7 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.679 0.607 18717 4015 1 7 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.457 -0.707 18717 4016 1 7 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.414 -0.296 18717 4017 1 7 . 1 1 125 125 TYR H H 125 8.616 8.616 7.966 0.650 18717 4018 1 7 . 1 1 126 126 TYR N N 126 115.848 115.848 118.458 -2.610 18717 4019 1 7 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.431 -0.171 18717 4020 1 7 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.092 0.836 18717 4021 1 7 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.679 -1.737 18717 4022 1 7 . 1 1 126 126 TYR H H 126 8.357 8.357 7.546 0.811 18717 4023 1 7 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.516 0.106 18717 4024 1 7 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.839 0.090 18717 4025 1 7 . 1 1 128 128 GLY N N 128 108.039 108.039 115.005 -6.966 18717 4026 1 7 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.499 -0.792 18717 4027 1 7 . 1 1 128 128 GLY H H 128 7.730 7.730 8.076 -0.346 18717 4028 1 7 . 1 1 129 129 SER N N 129 114.228 114.228 117.320 -3.092 18717 4029 1 7 . 1 1 129 129 SER HA H 129 4.438 4.438 4.201 0.237 18717 4030 1 7 . 1 1 129 129 SER CA C 129 57.566 57.566 59.890 -2.324 18717 4031 1 7 . 1 1 129 129 SER CB C 129 63.772 63.772 63.647 0.125 18717 4032 1 7 . 1 1 129 129 SER H H 129 8.102 8.102 8.934 -0.832 18717 4033 1 8 . 1 1 3 3 ASP N N 3 120.763 120.763 120.360 0.403 18717 4034 1 8 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.821 -0.334 18717 4035 1 8 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.517 0.614 18717 4036 1 8 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.693 0.194 18717 4037 1 8 . 1 1 3 3 ASP H H 3 8.327 8.327 8.547 -0.220 18717 4038 1 8 . 1 1 4 4 ILE N N 4 121.147 121.147 120.070 1.077 18717 4039 1 8 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.510 -0.465 18717 4040 1 8 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.348 1.375 18717 4041 1 8 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.737 -1.277 18717 4042 1 8 . 1 1 4 4 ILE H H 4 7.971 7.971 8.167 -0.196 18717 4043 1 8 . 1 1 5 5 ARG N N 5 123.685 123.685 122.065 1.620 18717 4044 1 8 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.163 0.308 18717 4045 1 8 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.990 -2.571 18717 4046 1 8 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.610 -0.468 18717 4047 1 8 . 1 1 5 5 ARG H H 5 8.067 8.067 8.446 -0.379 18717 4048 1 8 . 1 1 6 6 ILE N N 6 124.881 124.881 116.111 8.770 18717 4049 1 8 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.504 -0.721 18717 4050 1 8 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.591 1.850 18717 4051 1 8 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.871 -1.687 18717 4052 1 8 . 1 1 6 6 ILE H H 6 9.083 9.083 8.940 0.143 18717 4053 1 8 . 1 1 7 7 VAL N N 7 120.527 120.527 116.864 3.663 18717 4054 1 8 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.607 -0.516 18717 4055 1 8 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.765 -0.100 18717 4056 1 8 . 1 1 7 7 VAL CB C 7 31.692 31.692 32.846 -1.154 18717 4057 1 8 . 1 1 7 7 VAL H H 7 9.067 9.067 7.974 1.093 18717 4058 1 8 . 1 1 9 9 GLN N N 9 120.479 120.479 117.810 2.669 18717 4059 1 8 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.317 -0.457 18717 4060 1 8 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.535 0.364 18717 4061 1 8 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.197 0.625 18717 4062 1 8 . 1 1 9 9 GLN H H 9 8.305 8.305 8.281 0.024 18717 4063 1 8 . 1 1 10 10 ILE N N 10 125.746 125.746 117.288 8.458 18717 4064 1 8 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.537 -0.487 18717 4065 1 8 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.983 0.304 18717 4066 1 8 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.539 -2.389 18717 4067 1 8 . 1 1 10 10 ILE H H 10 10.040 10.040 8.191 1.849 18717 4068 1 8 . 1 1 11 11 THR HA H 11 4.459 4.459 4.523 -0.064 18717 4069 1 8 . 1 1 11 11 THR CA C 11 60.124 60.124 60.128 -0.004 18717 4070 1 8 . 1 1 11 11 THR CB C 11 71.036 71.036 70.280 0.756 18717 4071 1 8 . 1 1 12 12 ASP N N 12 121.634 121.634 121.059 0.575 18717 4072 1 8 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.515 -0.282 18717 4073 1 8 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.537 0.254 18717 4074 1 8 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.583 0.262 18717 4075 1 8 . 1 1 12 12 ASP H H 12 8.892 8.892 8.800 0.092 18717 4076 1 8 . 1 1 13 13 GLU N N 13 117.207 117.207 117.643 -0.436 18717 4077 1 8 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.176 -0.327 18717 4078 1 8 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.553 1.130 18717 4079 1 8 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.571 -0.416 18717 4080 1 8 . 1 1 13 13 GLU H H 13 8.421 8.421 8.581 -0.160 18717 4081 1 8 . 1 1 14 14 GLU N N 14 118.579 118.579 116.976 1.603 18717 4082 1 8 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.427 -0.450 18717 4083 1 8 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.881 1.612 18717 4084 1 8 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.335 1.080 18717 4085 1 8 . 1 1 14 14 GLU H H 14 7.647 7.647 7.763 -0.116 18717 4086 1 8 . 1 1 15 15 PHE N N 15 122.867 122.867 122.315 0.552 18717 4087 1 8 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.272 -0.427 18717 4088 1 8 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.283 -0.277 18717 4089 1 8 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.424 0.433 18717 4090 1 8 . 1 1 15 15 PHE H H 15 8.823 8.823 8.952 -0.129 18717 4091 1 8 . 1 1 16 16 LYS N N 16 115.192 115.192 116.297 -1.105 18717 4092 1 8 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.087 -0.124 18717 4093 1 8 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.620 0.466 18717 4094 1 8 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.214 1.394 18717 4095 1 8 . 1 1 16 16 LYS H H 16 7.742 7.742 7.691 0.051 18717 4096 1 8 . 1 1 17 17 THR N N 17 108.709 108.709 114.355 -5.646 18717 4097 1 8 . 1 1 17 17 THR HA H 17 4.269 4.269 4.239 0.030 18717 4098 1 8 . 1 1 17 17 THR CA C 17 61.767 61.767 63.372 -1.605 18717 4099 1 8 . 1 1 17 17 THR CB C 17 69.956 69.956 69.206 0.750 18717 4100 1 8 . 1 1 17 17 THR H H 17 7.518 7.518 7.781 -0.263 18717 4101 1 8 . 1 1 18 18 ILE N N 18 124.707 124.707 121.563 3.144 18717 4102 1 8 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.414 -0.802 18717 4103 1 8 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.468 1.933 18717 4104 1 8 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.656 -1.373 18717 4105 1 8 . 1 1 18 18 ILE H H 18 7.063 7.063 7.145 -0.082 18717 4106 1 8 . 1 1 20 20 LYS N N 20 124.646 124.646 120.990 3.656 18717 4107 1 8 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.925 -0.216 18717 4108 1 8 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.954 0.226 18717 4109 1 8 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.539 -0.100 18717 4110 1 8 . 1 1 20 20 LYS H H 20 8.639 8.639 8.836 -0.197 18717 4111 1 8 . 1 1 21 21 TYR N N 21 115.093 115.093 117.661 -2.568 18717 4112 1 8 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.284 0.030 18717 4113 1 8 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.136 -1.222 18717 4114 1 8 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.702 -1.525 18717 4115 1 8 . 1 1 21 21 TYR H H 21 7.897 7.897 8.258 -0.361 18717 4116 1 8 . 1 1 22 22 GLN N N 22 119.745 119.745 116.406 3.339 18717 4117 1 8 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.310 -0.384 18717 4118 1 8 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.316 0.290 18717 4119 1 8 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.879 -0.414 18717 4120 1 8 . 1 1 22 22 GLN H H 22 6.759 6.759 7.901 -1.142 18717 4121 1 8 . 1 1 23 23 LEU N N 23 118.619 118.619 119.468 -0.849 18717 4122 1 8 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.033 -0.181 18717 4123 1 8 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.896 -0.327 18717 4124 1 8 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.554 1.036 18717 4125 1 8 . 1 1 23 23 LEU H H 23 7.115 7.115 7.676 -0.561 18717 4126 1 8 . 1 1 24 24 GLY N N 24 103.606 103.606 105.497 -1.891 18717 4127 1 8 . 1 1 24 24 GLY CA C 24 46.923 46.923 44.948 1.975 18717 4128 1 8 . 1 1 24 24 GLY H H 24 7.541 7.541 7.844 -0.303 18717 4129 1 8 . 1 1 25 25 ARG N N 25 126.033 126.033 117.972 8.061 18717 4130 1 8 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.925 0.355 18717 4131 1 8 . 1 1 25 25 ARG CA C 25 55.373 55.373 57.208 -1.835 18717 4132 1 8 . 1 1 25 25 ARG CB C 25 29.946 29.946 29.610 0.336 18717 4133 1 8 . 1 1 25 25 ARG H H 25 8.850 8.850 8.527 0.323 18717 4134 1 8 . 1 1 26 26 LEU N N 26 121.287 121.287 119.064 2.223 18717 4135 1 8 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.364 -0.106 18717 4136 1 8 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.369 1.227 18717 4137 1 8 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.980 -1.235 18717 4138 1 8 . 1 1 26 26 LEU H H 26 8.017 8.017 7.809 0.208 18717 4139 1 8 . 1 1 27 27 THR N N 27 110.943 110.943 112.670 -1.727 18717 4140 1 8 . 1 1 27 27 THR HA H 27 4.626 4.626 4.464 0.162 18717 4141 1 8 . 1 1 27 27 THR CA C 27 58.272 58.272 60.371 -2.099 18717 4142 1 8 . 1 1 27 27 THR H H 27 7.129 7.129 7.803 -0.674 18717 4143 1 8 . 1 1 28 28 LEU N N 28 124.601 124.601 123.107 1.494 18717 4144 1 8 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.508 -0.281 18717 4145 1 8 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.137 -1.303 18717 4146 1 8 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.546 -1.634 18717 4147 1 8 . 1 1 28 28 LEU H H 28 8.404 8.404 7.949 0.455 18717 4148 1 8 . 1 1 29 29 GLU N N 29 117.021 117.021 118.484 -1.463 18717 4149 1 8 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.940 -0.054 18717 4150 1 8 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.541 0.426 18717 4151 1 8 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.159 -0.346 18717 4152 1 8 . 1 1 29 29 GLU H H 29 8.361 8.361 8.663 -0.302 18717 4153 1 8 . 1 1 30 30 MET N N 30 119.159 119.159 118.273 0.886 18717 4154 1 8 . 1 1 30 30 MET HA H 30 3.999 3.999 4.313 -0.314 18717 4155 1 8 . 1 1 30 30 MET CA C 30 58.946 58.946 58.909 0.037 18717 4156 1 8 . 1 1 30 30 MET CB C 30 31.941 31.941 32.888 -0.947 18717 4157 1 8 . 1 1 30 30 MET H H 30 7.541 7.541 7.590 -0.049 18717 4158 1 8 . 1 1 31 31 MET N N 31 117.316 117.316 117.234 0.082 18717 4159 1 8 . 1 1 31 31 MET HA H 31 3.833 3.833 3.988 -0.155 18717 4160 1 8 . 1 1 31 31 MET CA C 31 58.966 58.966 59.454 -0.488 18717 4161 1 8 . 1 1 31 31 MET CB C 31 32.253 32.253 32.352 -0.099 18717 4162 1 8 . 1 1 31 31 MET H H 31 8.310 8.310 8.100 0.210 18717 4163 1 8 . 1 1 32 32 ASN N N 32 116.639 116.639 119.279 -2.640 18717 4164 1 8 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.400 0.558 18717 4165 1 8 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.008 -2.733 18717 4166 1 8 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.688 -1.772 18717 4167 1 8 . 1 1 32 32 ASN H H 32 8.728 8.728 8.590 0.138 18717 4168 1 8 . 1 1 33 33 GLU N N 33 125.338 125.338 118.573 6.765 18717 4169 1 8 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.179 0.007 18717 4170 1 8 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.811 0.700 18717 4171 1 8 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.324 -0.096 18717 4172 1 8 . 1 1 33 33 GLU H H 33 7.918 7.918 7.875 0.043 18717 4173 1 8 . 1 1 34 34 ILE N N 34 119.962 119.962 121.588 -1.626 18717 4174 1 8 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.655 -0.184 18717 4175 1 8 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.047 0.747 18717 4176 1 8 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.972 -0.050 18717 4177 1 8 . 1 1 34 34 ILE H H 34 7.576 7.576 7.425 0.151 18717 4178 1 8 . 1 1 35 35 VAL N N 35 119.021 119.021 118.397 0.624 18717 4179 1 8 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.709 -0.134 18717 4180 1 8 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.799 0.346 18717 4181 1 8 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.502 -0.003 18717 4182 1 8 . 1 1 35 35 VAL H H 35 8.657 8.657 8.418 0.239 18717 4183 1 8 . 1 1 36 36 SER N N 36 114.977 114.977 115.723 -0.746 18717 4184 1 8 . 1 1 36 36 SER HA H 36 4.171 4.171 4.161 0.010 18717 4185 1 8 . 1 1 36 36 SER CA C 36 61.604 61.604 61.333 0.271 18717 4186 1 8 . 1 1 36 36 SER CB C 36 62.415 62.415 63.126 -0.711 18717 4187 1 8 . 1 1 36 36 SER H H 36 8.175 8.175 7.769 0.406 18717 4188 1 8 . 1 1 37 37 LYS N N 37 119.000 119.000 121.693 -2.693 18717 4189 1 8 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.063 0.114 18717 4190 1 8 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.516 -1.361 18717 4191 1 8 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.252 -1.872 18717 4192 1 8 . 1 1 37 37 LYS H H 37 7.283 7.283 7.815 -0.532 18717 4193 1 8 . 1 1 38 38 MET N N 38 119.061 119.061 116.022 3.039 18717 4194 1 8 . 1 1 38 38 MET HA H 38 3.430 3.430 3.765 -0.335 18717 4195 1 8 . 1 1 38 38 MET CA C 38 59.676 59.676 59.591 0.085 18717 4196 1 8 . 1 1 38 38 MET CB C 38 31.961 31.961 31.959 0.002 18717 4197 1 8 . 1 1 38 38 MET H H 38 7.740 7.740 7.879 -0.139 18717 4198 1 8 . 1 1 39 39 ASP N N 39 118.445 118.445 119.146 -0.701 18717 4199 1 8 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.514 -0.424 18717 4200 1 8 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.075 1.698 18717 4201 1 8 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.694 2.449 18717 4202 1 8 . 1 1 39 39 ASP H H 39 8.603 8.603 7.943 0.660 18717 4203 1 8 . 1 1 40 40 ASP N N 40 117.427 117.427 120.515 -3.088 18717 4204 1 8 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.456 -0.267 18717 4205 1 8 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.392 -0.065 18717 4206 1 8 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.775 0.266 18717 4207 1 8 . 1 1 40 40 ASP H H 40 8.397 8.397 7.695 0.702 18717 4208 1 8 . 1 1 41 41 PHE N N 41 119.507 119.507 119.786 -0.279 18717 4209 1 8 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.356 -0.385 18717 4210 1 8 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.808 1.354 18717 4211 1 8 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.323 0.175 18717 4212 1 8 . 1 1 41 41 PHE H H 41 8.248 8.248 7.946 0.302 18717 4213 1 8 . 1 1 42 42 LEU N N 42 118.072 118.072 120.459 -2.387 18717 4214 1 8 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.065 -0.340 18717 4215 1 8 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.405 -0.237 18717 4216 1 8 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.453 0.196 18717 4217 1 8 . 1 1 42 42 LEU H H 42 8.203 8.203 8.323 -0.120 18717 4218 1 8 . 1 1 43 43 MET N N 43 121.878 121.878 119.193 2.685 18717 4219 1 8 . 1 1 43 43 MET HA H 43 4.063 4.063 4.160 -0.097 18717 4220 1 8 . 1 1 43 43 MET CA C 43 57.664 57.664 59.230 -1.566 18717 4221 1 8 . 1 1 43 43 MET CB C 43 30.833 30.833 32.729 -1.896 18717 4222 1 8 . 1 1 43 43 MET H H 43 9.073 9.073 8.214 0.859 18717 4223 1 8 . 1 1 44 44 LYS N N 44 122.276 122.276 117.956 4.320 18717 4224 1 8 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.058 -0.193 18717 4225 1 8 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.085 0.399 18717 4226 1 8 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.050 -0.525 18717 4227 1 8 . 1 1 44 44 LYS H H 44 7.678 7.678 7.978 -0.300 18717 4228 1 8 . 1 1 46 46 SER N N 46 113.504 113.504 113.395 0.109 18717 4229 1 8 . 1 1 46 46 SER HA H 46 3.744 3.744 4.176 -0.432 18717 4230 1 8 . 1 1 46 46 SER CA C 46 61.358 61.358 60.982 0.376 18717 4231 1 8 . 1 1 46 46 SER CB C 46 62.674 62.674 62.974 -0.300 18717 4232 1 8 . 1 1 46 46 SER H H 46 8.467 8.467 7.883 0.584 18717 4233 1 8 . 1 1 47 47 LYS N N 47 120.235 120.235 120.480 -0.245 18717 4234 1 8 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.207 -0.252 18717 4235 1 8 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.366 0.448 18717 4236 1 8 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.661 0.352 18717 4237 1 8 . 1 1 47 47 LYS H H 47 7.659 7.659 7.492 0.167 18717 4238 1 8 . 1 1 48 48 ILE N N 48 120.699 120.699 118.668 2.031 18717 4239 1 8 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.918 -0.453 18717 4240 1 8 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.713 2.379 18717 4241 1 8 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.497 -0.550 18717 4242 1 8 . 1 1 48 48 ILE H H 48 7.803 7.803 7.317 0.486 18717 4243 1 8 . 1 1 49 49 LEU N N 49 118.686 118.686 118.592 0.094 18717 4244 1 8 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.107 -0.042 18717 4245 1 8 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.585 0.529 18717 4246 1 8 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.724 -0.131 18717 4247 1 8 . 1 1 49 49 LEU H H 49 8.671 8.671 7.589 1.082 18717 4248 1 8 . 1 1 50 50 GLY N N 50 103.264 103.264 105.458 -2.194 18717 4249 1 8 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.680 -0.134 18717 4250 1 8 . 1 1 50 50 GLY H H 50 7.422 7.422 7.656 -0.234 18717 4251 1 8 . 1 1 51 51 LYS N N 51 121.616 121.616 120.700 0.916 18717 4252 1 8 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.209 0.061 18717 4253 1 8 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.884 0.444 18717 4254 1 8 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.529 1.647 18717 4255 1 8 . 1 1 51 51 LYS H H 51 7.227 7.227 7.524 -0.297 18717 4256 1 8 . 1 1 52 52 THR N N 52 112.472 112.472 113.158 -0.686 18717 4257 1 8 . 1 1 52 52 THR HA H 52 4.363 4.363 4.660 -0.297 18717 4258 1 8 . 1 1 52 52 THR CA C 52 60.280 60.280 59.985 0.295 18717 4259 1 8 . 1 1 52 52 THR CB C 52 69.989 69.989 70.479 -0.490 18717 4260 1 8 . 1 1 52 52 THR H H 52 8.298 8.298 7.867 0.431 18717 4261 1 8 . 1 1 53 53 ASN N N 53 118.660 118.660 119.976 -1.316 18717 4262 1 8 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.536 -0.273 18717 4263 1 8 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.202 1.364 18717 4264 1 8 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.330 -0.140 18717 4265 1 8 . 1 1 53 53 ASN H H 53 8.739 8.739 8.850 -0.111 18717 4266 1 8 . 1 1 54 54 LYS N N 54 116.241 116.241 117.683 -1.442 18717 4267 1 8 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.161 -0.077 18717 4268 1 8 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.970 -0.419 18717 4269 1 8 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.744 -0.366 18717 4270 1 8 . 1 1 54 54 LYS H H 54 7.949 7.949 7.435 0.514 18717 4271 1 8 . 1 1 55 55 GLN N N 55 116.389 116.389 117.973 -1.584 18717 4272 1 8 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.280 -0.097 18717 4273 1 8 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.289 -0.669 18717 4274 1 8 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.282 1.242 18717 4275 1 8 . 1 1 55 55 GLN H H 55 7.492 7.492 7.470 0.022 18717 4276 1 8 . 1 1 56 56 LEU N N 56 120.014 120.014 121.243 -1.229 18717 4277 1 8 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.250 0.197 18717 4278 1 8 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.724 -0.399 18717 4279 1 8 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.463 0.561 18717 4280 1 8 . 1 1 56 56 LEU H H 56 7.137 7.137 7.990 -0.853 18717 4281 1 8 . 1 1 57 57 THR N N 57 115.673 115.673 118.357 -2.684 18717 4282 1 8 . 1 1 57 57 THR HA H 57 4.491 4.491 4.700 -0.209 18717 4283 1 8 . 1 1 57 57 THR CA C 57 59.638 59.638 60.478 -0.841 18717 4284 1 8 . 1 1 57 57 THR CB C 57 71.233 71.233 71.300 -0.067 18717 4285 1 8 . 1 1 57 57 THR H H 57 8.986 8.986 8.364 0.622 18717 4286 1 8 . 1 1 58 58 ARG N N 58 121.180 121.180 121.430 -0.250 18717 4287 1 8 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.090 -0.213 18717 4288 1 8 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.367 0.450 18717 4289 1 8 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.719 -0.388 18717 4290 1 8 . 1 1 58 58 ARG H H 58 8.783 8.783 8.752 0.031 18717 4291 1 8 . 1 1 59 59 SER N N 59 113.863 113.863 113.396 0.467 18717 4292 1 8 . 1 1 59 59 SER HA H 59 4.116 4.116 4.530 -0.414 18717 4293 1 8 . 1 1 59 59 SER CA C 59 60.988 60.988 61.507 -0.519 18717 4294 1 8 . 1 1 59 59 SER CB C 59 62.156 62.156 61.952 0.204 18717 4295 1 8 . 1 1 59 59 SER H H 59 8.198 8.198 8.580 -0.382 18717 4296 1 8 . 1 1 60 60 ASP N N 60 122.780 122.780 120.908 1.872 18717 4297 1 8 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.507 -0.455 18717 4298 1 8 . 1 1 60 60 ASP CA C 60 56.538 56.538 57.081 -0.543 18717 4299 1 8 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.431 1.548 18717 4300 1 8 . 1 1 60 60 ASP H H 60 7.623 7.623 7.561 0.062 18717 4301 1 8 . 1 1 61 61 ARG N N 61 117.219 117.219 120.399 -3.180 18717 4302 1 8 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.103 -0.384 18717 4303 1 8 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.596 -0.060 18717 4304 1 8 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.652 -1.048 18717 4305 1 8 . 1 1 61 61 ARG H H 61 7.966 7.966 7.795 0.171 18717 4306 1 8 . 1 1 62 62 GLU N N 62 118.341 118.341 119.949 -1.608 18717 4307 1 8 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.003 -0.061 18717 4308 1 8 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.445 -0.409 18717 4309 1 8 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.253 0.230 18717 4310 1 8 . 1 1 62 62 GLU H H 62 7.556 7.556 8.547 -0.991 18717 4311 1 8 . 1 1 63 63 VAL N N 63 116.650 116.650 116.686 -0.036 18717 4312 1 8 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.381 0.200 18717 4313 1 8 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.246 0.371 18717 4314 1 8 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.224 0.057 18717 4315 1 8 . 1 1 63 63 VAL H H 63 7.398 7.398 7.527 -0.130 18717 4316 1 8 . 1 1 64 64 LEU N N 64 121.502 121.502 121.675 -0.173 18717 4317 1 8 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.244 -0.536 18717 4318 1 8 . 1 1 64 64 LEU CA C 64 57.867 57.867 59.020 -1.153 18717 4319 1 8 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.289 0.647 18717 4320 1 8 . 1 1 64 64 LEU H H 64 7.889 7.889 7.664 0.225 18717 4321 1 8 . 1 1 65 65 ASP N N 65 119.200 119.200 118.883 0.317 18717 4322 1 8 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.413 -0.021 18717 4323 1 8 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.529 -0.266 18717 4324 1 8 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.795 -1.071 18717 4325 1 8 . 1 1 65 65 ASP H H 65 7.846 7.846 7.981 -0.135 18717 4326 1 8 . 1 1 66 66 ASN N N 66 120.252 120.252 119.579 0.673 18717 4327 1 8 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.541 -0.038 18717 4328 1 8 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.239 -0.149 18717 4329 1 8 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.760 -0.741 18717 4330 1 8 . 1 1 66 66 ASN H H 66 7.480 7.480 7.662 -0.182 18717 4331 1 8 . 1 1 67 67 TRP N N 67 122.830 122.830 120.145 2.685 18717 4332 1 8 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.658 -0.159 18717 4333 1 8 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.567 -2.280 18717 4334 1 8 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.899 -0.835 18717 4335 1 8 . 1 1 67 67 TRP H H 67 8.730 8.730 8.622 0.108 18717 4336 1 8 . 1 1 68 68 ARG N N 68 120.279 120.279 117.407 2.872 18717 4337 1 8 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.527 0.316 18717 4338 1 8 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.451 -0.274 18717 4339 1 8 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.671 -1.365 18717 4340 1 8 . 1 1 68 68 ARG H H 68 7.976 7.976 8.067 -0.091 18717 4341 1 8 . 1 1 69 69 GLU N N 69 121.656 121.656 120.865 0.791 18717 4342 1 8 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.258 0.024 18717 4343 1 8 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.056 0.249 18717 4344 1 8 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.140 0.843 18717 4345 1 8 . 1 1 69 69 GLU H H 69 8.676 8.676 7.797 0.879 18717 4346 1 8 . 1 1 70 70 LEU N N 70 120.066 120.066 117.535 2.531 18717 4347 1 8 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.328 -0.193 18717 4348 1 8 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.149 -0.148 18717 4349 1 8 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.485 0.885 18717 4350 1 8 . 1 1 70 70 LEU H H 70 7.963 7.963 7.996 -0.033 18717 4351 1 8 . 1 1 71 71 GLU N N 71 118.326 118.326 119.673 -1.347 18717 4352 1 8 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.348 -0.783 18717 4353 1 8 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.237 0.081 18717 4354 1 8 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.055 0.115 18717 4355 1 8 . 1 1 71 71 GLU H H 71 8.278 8.278 8.298 -0.020 18717 4356 1 8 . 1 1 72 72 MET N N 72 117.881 117.881 116.162 1.719 18717 4357 1 8 . 1 1 72 72 MET HA H 72 4.163 4.163 4.628 -0.465 18717 4358 1 8 . 1 1 72 72 MET CA C 72 57.906 57.906 57.828 0.078 18717 4359 1 8 . 1 1 72 72 MET CB C 72 32.006 32.006 33.511 -1.505 18717 4360 1 8 . 1 1 72 72 MET H H 72 7.966 7.966 7.654 0.312 18717 4361 1 8 . 1 1 73 73 LYS N N 73 119.844 119.844 119.660 0.184 18717 4362 1 8 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.273 -0.216 18717 4363 1 8 . 1 1 73 73 LYS CA C 73 58.117 58.117 58.044 0.073 18717 4364 1 8 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.058 0.335 18717 4365 1 8 . 1 1 73 73 LYS H H 73 7.959 7.959 7.977 -0.018 18717 4366 1 8 . 1 1 74 74 ALA N N 74 120.588 120.588 121.408 -0.820 18717 4367 1 8 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.345 -0.328 18717 4368 1 8 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.372 0.738 18717 4369 1 8 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.296 -0.800 18717 4370 1 8 . 1 1 74 74 ALA H H 74 7.504 7.504 7.724 -0.220 18717 4371 1 8 . 1 1 75 75 ARG N N 75 111.895 111.895 116.141 -4.246 18717 4372 1 8 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.920 -0.115 18717 4373 1 8 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.119 0.254 18717 4374 1 8 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.459 -0.063 18717 4375 1 8 . 1 1 75 75 ARG H H 75 7.550 7.550 7.558 -0.008 18717 4376 1 8 . 1 1 76 76 LYS N N 76 114.585 114.585 119.119 -4.534 18717 4377 1 8 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.367 -0.253 18717 4378 1 8 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.804 -0.302 18717 4379 1 8 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.962 -2.686 18717 4380 1 8 . 1 1 76 76 LYS H H 76 7.810 7.810 8.071 -0.261 18717 4381 1 8 . 1 1 77 77 ARG N N 77 119.199 119.199 125.443 -6.244 18717 4382 1 8 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.205 -0.157 18717 4383 1 8 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.704 -0.014 18717 4384 1 8 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.404 1.072 18717 4385 1 8 . 1 1 77 77 ARG H H 77 7.916 7.916 8.542 -0.626 18717 4386 1 8 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.185 -0.022 18717 4387 1 8 . 1 1 80 80 THR N N 80 110.230 110.230 110.718 -0.488 18717 4388 1 8 . 1 1 80 80 THR HA H 80 4.526 4.526 4.201 0.325 18717 4389 1 8 . 1 1 80 80 THR CA C 80 58.081 58.081 61.457 -3.376 18717 4390 1 8 . 1 1 80 80 THR CB C 80 67.980 67.980 69.837 -1.857 18717 4391 1 8 . 1 1 80 80 THR H H 80 6.530 6.530 7.571 -1.041 18717 4392 1 8 . 1 1 81 81 THR N N 81 114.552 114.552 117.470 -2.918 18717 4393 1 8 . 1 1 81 81 THR HA H 81 4.260 4.260 3.702 0.558 18717 4394 1 8 . 1 1 81 81 THR CA C 81 61.767 61.767 63.038 -1.272 18717 4395 1 8 . 1 1 81 81 THR CB C 81 68.383 68.383 69.716 -1.333 18717 4396 1 8 . 1 1 81 81 THR H H 81 7.674 7.674 8.285 -0.611 18717 4397 1 8 . 1 1 82 82 LEU N N 82 127.155 127.155 125.958 1.197 18717 4398 1 8 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.056 -0.064 18717 4399 1 8 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.467 -1.753 18717 4400 1 8 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.285 -0.907 18717 4401 1 8 . 1 1 82 82 LEU H H 82 8.465 8.465 7.181 1.284 18717 4402 1 8 . 1 1 83 83 PHE N N 83 113.552 113.552 118.189 -4.637 18717 4403 1 8 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.584 0.338 18717 4404 1 8 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.899 -0.235 18717 4405 1 8 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.992 1.057 18717 4406 1 8 . 1 1 83 83 PHE H H 83 6.370 6.370 7.195 -0.825 18717 4407 1 8 . 1 1 84 84 PHE N N 84 116.628 116.628 114.327 2.301 18717 4408 1 8 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.329 -0.054 18717 4409 1 8 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.319 -0.968 18717 4410 1 8 . 1 1 84 84 PHE CB C 84 42.823 42.823 42.103 0.720 18717 4411 1 8 . 1 1 84 84 PHE H H 84 9.579 9.579 7.904 1.675 18717 4412 1 8 . 1 1 85 85 ILE N N 85 113.827 113.827 115.737 -1.910 18717 4413 1 8 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.240 -0.098 18717 4414 1 8 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.494 -0.208 18717 4415 1 8 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.004 0.283 18717 4416 1 8 . 1 1 85 85 ILE H H 85 9.410 9.410 8.714 0.696 18717 4417 1 8 . 1 1 86 86 GLU N N 86 124.724 124.724 125.574 -0.850 18717 4418 1 8 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.931 -0.306 18717 4419 1 8 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.447 0.269 18717 4420 1 8 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.491 -0.481 18717 4421 1 8 . 1 1 86 86 GLU H H 86 9.957 9.957 8.732 1.225 18717 4422 1 8 . 1 1 87 87 THR N N 87 106.336 106.336 111.297 -4.961 18717 4423 1 8 . 1 1 87 87 THR HA H 87 3.695 3.695 4.120 -0.425 18717 4424 1 8 . 1 1 87 87 THR CA C 87 63.680 63.680 64.505 -0.825 18717 4425 1 8 . 1 1 87 87 THR CB C 87 67.530 67.530 68.293 -0.763 18717 4426 1 8 . 1 1 87 87 THR H H 87 7.659 7.659 8.117 -0.458 18717 4427 1 8 . 1 1 88 88 ASP N N 88 119.814 119.814 121.291 -1.477 18717 4428 1 8 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.594 -0.380 18717 4429 1 8 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.640 0.858 18717 4430 1 8 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.148 -1.067 18717 4431 1 8 . 1 1 88 88 ASP H H 88 7.605 7.605 8.374 -0.769 18717 4432 1 8 . 1 1 89 89 ILE N N 89 113.246 113.246 116.701 -3.455 18717 4433 1 8 . 1 1 89 89 ILE HA H 89 3.814 3.814 3.886 -0.072 18717 4434 1 8 . 1 1 89 89 ILE CA C 89 58.507 58.507 60.598 -2.091 18717 4435 1 8 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.178 -1.378 18717 4436 1 8 . 1 1 89 89 ILE H H 89 6.538 6.538 6.984 -0.446 18717 4437 1 8 . 1 1 90 90 ARG N N 90 119.499 119.499 122.632 -3.133 18717 4438 1 8 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.064 -0.448 18717 4439 1 8 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.317 0.748 18717 4440 1 8 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.460 0.433 18717 4441 1 8 . 1 1 90 90 ARG H H 90 7.721 7.721 8.418 -0.697 18717 4442 1 8 . 1 1 92 92 MET N N 92 113.492 113.492 116.549 -3.057 18717 4443 1 8 . 1 1 92 92 MET HA H 92 4.175 4.175 4.414 -0.239 18717 4444 1 8 . 1 1 92 92 MET CA C 92 55.799 55.799 56.014 -0.215 18717 4445 1 8 . 1 1 92 92 MET CB C 92 33.950 33.950 34.274 -0.324 18717 4446 1 8 . 1 1 92 92 MET H H 92 7.549 7.549 7.753 -0.204 18717 4447 1 8 . 1 1 93 93 LEU N N 93 117.943 117.943 119.227 -1.284 18717 4448 1 8 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.116 0.318 18717 4449 1 8 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.257 -3.402 18717 4450 1 8 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.289 0.570 18717 4451 1 8 . 1 1 93 93 LEU H H 93 7.297 7.297 7.568 -0.271 18717 4452 1 8 . 1 1 94 94 GLN N N 94 121.536 121.536 116.670 4.866 18717 4453 1 8 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.366 -0.198 18717 4454 1 8 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.218 0.873 18717 4455 1 8 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.524 -2.361 18717 4456 1 8 . 1 1 94 94 GLN H H 94 8.675 8.675 8.094 0.581 18717 4457 1 8 . 1 1 95 95 ASP N N 95 123.380 123.380 126.417 -3.037 18717 4458 1 8 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.364 -0.480 18717 4459 1 8 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.936 1.557 18717 4460 1 8 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.897 -0.717 18717 4461 1 8 . 1 1 95 95 ASP H H 95 8.804 8.804 8.841 -0.037 18717 4462 1 8 . 1 1 96 96 ARG N N 96 115.337 115.337 118.747 -3.410 18717 4463 1 8 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.385 -0.296 18717 4464 1 8 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.595 1.212 18717 4465 1 8 . 1 1 96 96 ARG CB C 96 29.431 29.431 28.965 0.466 18717 4466 1 8 . 1 1 96 96 ARG H H 96 8.652 8.652 8.337 0.315 18717 4467 1 8 . 1 1 97 97 LEU N N 97 118.485 118.485 121.451 -2.966 18717 4468 1 8 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.288 0.102 18717 4469 1 8 . 1 1 97 97 LEU CA C 97 54.411 54.411 54.922 -0.511 18717 4470 1 8 . 1 1 97 97 LEU CB C 97 44.094 44.094 43.058 1.036 18717 4471 1 8 . 1 1 97 97 LEU H H 97 7.776 7.776 7.427 0.349 18717 4472 1 8 . 1 1 98 98 ARG N N 98 119.863 119.863 116.370 3.493 18717 4473 1 8 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.112 -0.203 18717 4474 1 8 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.665 5.626 18717 4475 1 8 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.794 0.031 18717 4476 1 8 . 1 1 98 98 ARG H H 98 7.553 7.553 7.420 0.133 18717 4477 1 8 . 1 1 100 100 SER N N 100 111.387 111.387 116.661 -5.274 18717 4478 1 8 . 1 1 100 100 SER HA H 100 4.360 4.360 4.366 -0.006 18717 4479 1 8 . 1 1 100 100 SER CA C 100 59.923 59.923 59.815 0.108 18717 4480 1 8 . 1 1 100 100 SER CB C 100 63.304 63.304 64.199 -0.895 18717 4481 1 8 . 1 1 100 100 SER H H 100 7.616 7.616 8.483 -0.867 18717 4482 1 8 . 1 1 101 101 PHE N N 101 123.367 123.367 123.858 -0.491 18717 4483 1 8 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.086 -0.380 18717 4484 1 8 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.205 1.511 18717 4485 1 8 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.619 0.026 18717 4486 1 8 . 1 1 101 101 PHE H H 101 7.722 7.722 8.286 -0.564 18717 4487 1 8 . 1 1 102 102 ALA N N 102 117.466 117.466 118.446 -0.980 18717 4488 1 8 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.128 -0.252 18717 4489 1 8 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.649 -0.111 18717 4490 1 8 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.160 -0.030 18717 4491 1 8 . 1 1 102 102 ALA H H 102 8.525 8.525 8.825 -0.300 18717 4492 1 8 . 1 1 103 103 LYS N N 103 115.077 115.077 116.802 -1.725 18717 4493 1 8 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.459 -0.394 18717 4494 1 8 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.301 -0.565 18717 4495 1 8 . 1 1 103 103 LYS CB C 103 32.047 32.047 32.985 -0.938 18717 4496 1 8 . 1 1 103 103 LYS H H 103 7.000 7.000 7.961 -0.961 18717 4497 1 8 . 1 1 104 104 ALA N N 104 119.948 119.948 123.864 -3.916 18717 4498 1 8 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.335 -0.527 18717 4499 1 8 . 1 1 104 104 ALA CA C 104 53.999 53.999 54.005 -0.006 18717 4500 1 8 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.449 -0.534 18717 4501 1 8 . 1 1 104 104 ALA H H 104 7.955 7.955 7.829 0.126 18717 4502 1 8 . 1 1 105 105 ILE N N 105 116.011 116.011 120.132 -4.121 18717 4503 1 8 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.920 -0.471 18717 4504 1 8 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.134 -0.935 18717 4505 1 8 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.215 -2.218 18717 4506 1 8 . 1 1 105 105 ILE H H 105 7.030 7.030 8.513 -1.483 18717 4507 1 8 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.519 -0.486 18717 4508 1 8 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.817 0.105 18717 4509 1 8 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.846 0.117 18717 4510 1 8 . 1 1 107 107 CYS N N 107 115.533 115.533 116.381 -0.848 18717 4511 1 8 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.410 -0.536 18717 4512 1 8 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.756 0.181 18717 4513 1 8 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.922 -1.018 18717 4514 1 8 . 1 1 107 107 CYS H H 107 6.558 6.558 7.655 -1.097 18717 4515 1 8 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.159 -0.306 18717 4516 1 8 . 1 1 109 109 ARG N N 109 120.576 120.576 116.832 3.744 18717 4517 1 8 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.223 0.169 18717 4518 1 8 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.315 0.146 18717 4519 1 8 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.639 0.628 18717 4520 1 8 . 1 1 109 109 ARG H H 109 8.507 8.507 7.829 0.678 18717 4521 1 8 . 1 1 110 110 HIS N N 110 122.218 122.218 121.613 0.605 18717 4522 1 8 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.372 -0.286 18717 4523 1 8 . 1 1 110 110 HIS CA C 110 60.758 60.758 58.947 1.811 18717 4524 1 8 . 1 1 110 110 HIS CB C 110 30.895 30.895 30.056 0.839 18717 4525 1 8 . 1 1 110 110 HIS H H 110 7.998 7.998 8.029 -0.031 18717 4526 1 8 . 1 1 111 111 ILE N N 111 105.612 105.612 110.487 -4.875 18717 4527 1 8 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.352 -0.022 18717 4528 1 8 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.196 -0.603 18717 4529 1 8 . 1 1 111 111 ILE CB C 111 36.950 36.950 39.333 -2.383 18717 4530 1 8 . 1 1 111 111 ILE H H 111 6.904 6.904 7.191 -0.287 18717 4531 1 8 . 1 1 112 112 ARG N N 112 114.782 114.782 117.360 -2.578 18717 4532 1 8 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.071 -0.170 18717 4533 1 8 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.024 0.291 18717 4534 1 8 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.238 -0.998 18717 4535 1 8 . 1 1 112 112 ARG H H 112 7.660 7.660 8.022 -0.362 18717 4536 1 8 . 1 1 113 113 ARG N N 113 114.996 114.996 117.686 -2.690 18717 4537 1 8 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.497 -0.247 18717 4538 1 8 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.415 -0.761 18717 4539 1 8 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.188 -0.066 18717 4540 1 8 . 1 1 113 113 ARG H H 113 8.149 8.149 7.739 0.410 18717 4541 1 8 . 1 1 114 114 ILE N N 114 112.019 112.019 111.358 0.661 18717 4542 1 8 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.022 -0.148 18717 4543 1 8 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.278 -2.676 18717 4544 1 8 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.596 0.804 18717 4545 1 8 . 1 1 114 114 ILE H H 114 6.810 6.810 7.319 -0.509 18717 4546 1 8 . 1 1 115 115 ARG N N 115 122.894 122.894 119.089 3.805 18717 4547 1 8 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.729 -0.372 18717 4548 1 8 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.386 -0.274 18717 4549 1 8 . 1 1 115 115 ARG CB C 115 33.058 33.058 35.072 -2.014 18717 4550 1 8 . 1 1 115 115 ARG H H 115 8.822 8.822 8.384 0.438 18717 4551 1 8 . 1 1 116 116 GLU N N 116 118.962 118.962 118.544 0.418 18717 4552 1 8 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.497 0.818 18717 4553 1 8 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.982 -1.880 18717 4554 1 8 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.280 2.654 18717 4555 1 8 . 1 1 116 116 GLU H H 116 8.329 8.329 8.342 -0.013 18717 4556 1 8 . 1 1 117 117 GLU N N 117 124.627 124.627 124.890 -0.263 18717 4557 1 8 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.638 -0.107 18717 4558 1 8 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.500 0.612 18717 4559 1 8 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.297 1.036 18717 4560 1 8 . 1 1 117 117 GLU H H 117 9.028 9.028 7.984 1.044 18717 4561 1 8 . 1 1 118 118 ARG N N 118 127.916 127.916 128.185 -0.269 18717 4562 1 8 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.421 0.191 18717 4563 1 8 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.666 0.127 18717 4564 1 8 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.158 0.983 18717 4565 1 8 . 1 1 118 118 ARG H H 118 8.952 8.952 8.648 0.304 18717 4566 1 8 . 1 1 119 119 CYS N N 119 126.785 126.785 128.610 -1.825 18717 4567 1 8 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.592 0.066 18717 4568 1 8 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.934 -2.486 18717 4569 1 8 . 1 1 119 119 CYS CB C 119 28.192 28.192 28.456 -0.264 18717 4570 1 8 . 1 1 119 119 CYS H H 119 8.831 8.831 8.131 0.700 18717 4571 1 8 . 1 1 120 120 GLY N N 120 117.456 117.456 113.819 3.637 18717 4572 1 8 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.078 -0.566 18717 4573 1 8 . 1 1 120 120 GLY H H 120 8.873 8.873 8.416 0.457 18717 4574 1 8 . 1 1 122 122 LEU N N 122 121.777 121.777 118.252 3.525 18717 4575 1 8 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.569 -0.131 18717 4576 1 8 . 1 1 122 122 LEU CA C 122 53.609 53.609 54.020 -0.411 18717 4577 1 8 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.256 -1.277 18717 4578 1 8 . 1 1 122 122 LEU H H 122 7.270 7.270 7.814 -0.543 18717 4579 1 8 . 1 1 123 123 THR N N 123 118.668 118.668 114.615 4.053 18717 4580 1 8 . 1 1 123 123 THR HA H 123 4.407 4.407 4.825 -0.418 18717 4581 1 8 . 1 1 123 123 THR CA C 123 61.769 61.769 61.833 -0.064 18717 4582 1 8 . 1 1 123 123 THR CB C 123 69.263 69.263 70.557 -1.294 18717 4583 1 8 . 1 1 123 123 THR H H 123 7.649 7.649 8.093 -0.444 18717 4584 1 8 . 1 1 124 124 PHE N N 124 125.265 125.265 124.327 0.938 18717 4585 1 8 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.285 -1.014 18717 4586 1 8 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.271 1.316 18717 4587 1 8 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.579 0.449 18717 4588 1 8 . 1 1 124 124 PHE H H 124 8.553 8.553 8.109 0.444 18717 4589 1 8 . 1 1 125 125 TYR N N 125 118.544 118.544 115.466 3.078 18717 4590 1 8 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.685 0.601 18717 4591 1 8 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.523 -0.773 18717 4592 1 8 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.599 -0.481 18717 4593 1 8 . 1 1 125 125 TYR H H 125 8.616 8.616 7.999 0.617 18717 4594 1 8 . 1 1 126 126 TYR N N 126 115.848 115.848 118.338 -2.490 18717 4595 1 8 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.429 -0.169 18717 4596 1 8 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.043 0.885 18717 4597 1 8 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.633 -1.690 18717 4598 1 8 . 1 1 126 126 TYR H H 126 8.357 8.357 7.541 0.816 18717 4599 1 8 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.551 0.071 18717 4600 1 8 . 1 1 127 127 PRO CA C 127 62.929 62.929 63.148 -0.219 18717 4601 1 8 . 1 1 128 128 GLY N N 128 108.039 108.039 112.178 -4.139 18717 4602 1 8 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.902 -1.195 18717 4603 1 8 . 1 1 128 128 GLY H H 128 7.730 7.730 8.159 -0.429 18717 4604 1 8 . 1 1 129 129 SER N N 129 114.228 114.228 114.985 -0.757 18717 4605 1 8 . 1 1 129 129 SER HA H 129 4.438 4.438 4.536 -0.098 18717 4606 1 8 . 1 1 129 129 SER CA C 129 57.566 57.566 58.141 -0.575 18717 4607 1 8 . 1 1 129 129 SER CB C 129 63.772 63.772 64.931 -1.159 18717 4608 1 8 . 1 1 129 129 SER H H 129 8.102 8.102 7.797 0.305 18717 4609 1 9 . 1 1 3 3 ASP N N 3 120.763 120.763 120.797 -0.034 18717 4610 1 9 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.878 -0.391 18717 4611 1 9 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.634 0.497 18717 4612 1 9 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.080 0.807 18717 4613 1 9 . 1 1 3 3 ASP H H 3 8.327 8.327 8.559 -0.232 18717 4614 1 9 . 1 1 4 4 ILE N N 4 121.147 121.147 120.142 1.005 18717 4615 1 9 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.522 -0.477 18717 4616 1 9 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.195 1.528 18717 4617 1 9 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.539 -1.079 18717 4618 1 9 . 1 1 4 4 ILE H H 4 7.971 7.971 8.083 -0.112 18717 4619 1 9 . 1 1 5 5 ARG N N 5 123.685 123.685 122.089 1.596 18717 4620 1 9 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.163 0.308 18717 4621 1 9 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.062 -2.643 18717 4622 1 9 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.327 -0.185 18717 4623 1 9 . 1 1 5 5 ARG H H 5 8.067 8.067 8.417 -0.350 18717 4624 1 9 . 1 1 6 6 ILE N N 6 124.881 124.881 120.681 4.200 18717 4625 1 9 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.228 -0.445 18717 4626 1 9 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.939 1.502 18717 4627 1 9 . 1 1 6 6 ILE CB C 6 38.184 38.184 38.898 -0.715 18717 4628 1 9 . 1 1 6 6 ILE H H 6 9.083 9.083 8.682 0.401 18717 4629 1 9 . 1 1 7 7 VAL N N 7 120.527 120.527 115.227 5.300 18717 4630 1 9 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.498 -0.407 18717 4631 1 9 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.450 0.215 18717 4632 1 9 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.178 -1.486 18717 4633 1 9 . 1 1 7 7 VAL H H 7 9.067 9.067 8.199 0.868 18717 4634 1 9 . 1 1 9 9 GLN N N 9 120.479 120.479 119.010 1.469 18717 4635 1 9 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.209 -0.349 18717 4636 1 9 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.031 -0.132 18717 4637 1 9 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.116 0.706 18717 4638 1 9 . 1 1 9 9 GLN H H 9 8.305 8.305 8.291 0.014 18717 4639 1 9 . 1 1 10 10 ILE N N 10 125.746 125.746 116.224 9.522 18717 4640 1 9 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.507 -0.457 18717 4641 1 9 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.758 0.529 18717 4642 1 9 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.387 -2.237 18717 4643 1 9 . 1 1 10 10 ILE H H 10 10.040 10.040 8.210 1.830 18717 4644 1 9 . 1 1 11 11 THR HA H 11 4.459 4.459 4.499 -0.040 18717 4645 1 9 . 1 1 11 11 THR CA C 11 60.124 60.124 60.489 -0.365 18717 4646 1 9 . 1 1 11 11 THR CB C 11 71.036 71.036 69.992 1.044 18717 4647 1 9 . 1 1 12 12 ASP N N 12 121.634 121.634 120.857 0.777 18717 4648 1 9 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.483 -0.250 18717 4649 1 9 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.446 0.345 18717 4650 1 9 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.621 0.224 18717 4651 1 9 . 1 1 12 12 ASP H H 12 8.892 8.892 8.784 0.108 18717 4652 1 9 . 1 1 13 13 GLU N N 13 117.207 117.207 117.529 -0.322 18717 4653 1 9 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.219 -0.370 18717 4654 1 9 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.388 1.295 18717 4655 1 9 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.656 -0.501 18717 4656 1 9 . 1 1 13 13 GLU H H 13 8.421 8.421 8.563 -0.142 18717 4657 1 9 . 1 1 14 14 GLU N N 14 118.579 118.579 117.918 0.661 18717 4658 1 9 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.307 -0.330 18717 4659 1 9 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.454 1.039 18717 4660 1 9 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.000 1.415 18717 4661 1 9 . 1 1 14 14 GLU H H 14 7.647 7.647 7.652 -0.005 18717 4662 1 9 . 1 1 15 15 PHE N N 15 122.867 122.867 121.930 0.937 18717 4663 1 9 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.356 -0.511 18717 4664 1 9 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.853 0.153 18717 4665 1 9 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.662 0.195 18717 4666 1 9 . 1 1 15 15 PHE H H 15 8.823 8.823 8.879 -0.056 18717 4667 1 9 . 1 1 16 16 LYS N N 16 115.192 115.192 116.159 -0.967 18717 4668 1 9 . 1 1 16 16 LYS HA H 16 3.963 3.963 3.971 -0.008 18717 4669 1 9 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.003 0.083 18717 4670 1 9 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.490 1.118 18717 4671 1 9 . 1 1 16 16 LYS H H 16 7.742 7.742 7.730 0.012 18717 4672 1 9 . 1 1 17 17 THR N N 17 108.709 108.709 110.598 -1.889 18717 4673 1 9 . 1 1 17 17 THR HA H 17 4.269 4.269 4.248 0.021 18717 4674 1 9 . 1 1 17 17 THR CA C 17 61.767 61.767 62.993 -1.226 18717 4675 1 9 . 1 1 17 17 THR CB C 17 69.956 69.956 69.435 0.521 18717 4676 1 9 . 1 1 17 17 THR H H 17 7.518 7.518 7.292 0.226 18717 4677 1 9 . 1 1 18 18 ILE N N 18 124.707 124.707 123.287 1.420 18717 4678 1 9 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.046 -0.434 18717 4679 1 9 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.169 1.232 18717 4680 1 9 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.138 -0.855 18717 4681 1 9 . 1 1 18 18 ILE H H 18 7.063 7.063 7.156 -0.093 18717 4682 1 9 . 1 1 20 20 LYS N N 20 124.646 124.646 121.098 3.548 18717 4683 1 9 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.836 -0.127 18717 4684 1 9 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.834 0.346 18717 4685 1 9 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.305 0.134 18717 4686 1 9 . 1 1 20 20 LYS H H 20 8.639 8.639 8.568 0.071 18717 4687 1 9 . 1 1 21 21 TYR N N 21 115.093 115.093 117.676 -2.583 18717 4688 1 9 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.298 0.016 18717 4689 1 9 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.768 -0.854 18717 4690 1 9 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.384 -1.207 18717 4691 1 9 . 1 1 21 21 TYR H H 21 7.897 7.897 7.659 0.238 18717 4692 1 9 . 1 1 22 22 GLN N N 22 119.745 119.745 116.745 3.000 18717 4693 1 9 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.332 -0.406 18717 4694 1 9 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.490 0.116 18717 4695 1 9 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.797 -0.332 18717 4696 1 9 . 1 1 22 22 GLN H H 22 6.759 6.759 7.882 -1.123 18717 4697 1 9 . 1 1 23 23 LEU N N 23 118.619 118.619 117.881 0.738 18717 4698 1 9 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.032 -0.180 18717 4699 1 9 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.622 -0.053 18717 4700 1 9 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.325 1.264 18717 4701 1 9 . 1 1 23 23 LEU H H 23 7.115 7.115 7.594 -0.479 18717 4702 1 9 . 1 1 24 24 GLY N N 24 103.606 103.606 107.460 -3.854 18717 4703 1 9 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.668 0.255 18717 4704 1 9 . 1 1 24 24 GLY H H 24 7.541 7.541 8.204 -0.663 18717 4705 1 9 . 1 1 25 25 ARG N N 25 126.033 126.033 124.439 1.594 18717 4706 1 9 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.691 -0.411 18717 4707 1 9 . 1 1 25 25 ARG CA C 25 55.373 55.373 54.761 0.612 18717 4708 1 9 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.235 -1.290 18717 4709 1 9 . 1 1 25 25 ARG H H 25 8.850 8.850 8.129 0.721 18717 4710 1 9 . 1 1 26 26 LEU N N 26 121.287 121.287 119.943 1.344 18717 4711 1 9 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.645 -0.387 18717 4712 1 9 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.357 2.239 18717 4713 1 9 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.132 -1.387 18717 4714 1 9 . 1 1 26 26 LEU H H 26 8.017 8.017 7.367 0.650 18717 4715 1 9 . 1 1 27 27 THR N N 27 110.943 110.943 111.033 -0.090 18717 4716 1 9 . 1 1 27 27 THR HA H 27 4.626 4.626 4.420 0.206 18717 4717 1 9 . 1 1 27 27 THR CA C 27 58.272 58.272 60.106 -1.834 18717 4718 1 9 . 1 1 27 27 THR H H 27 7.129 7.129 8.007 -0.878 18717 4719 1 9 . 1 1 28 28 LEU N N 28 124.601 124.601 122.581 2.020 18717 4720 1 9 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.561 -0.334 18717 4721 1 9 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.940 -1.106 18717 4722 1 9 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.533 -1.621 18717 4723 1 9 . 1 1 28 28 LEU H H 28 8.404 8.404 8.086 0.318 18717 4724 1 9 . 1 1 29 29 GLU N N 29 117.021 117.021 118.862 -1.841 18717 4725 1 9 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.966 -0.080 18717 4726 1 9 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.589 0.378 18717 4727 1 9 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.192 -0.379 18717 4728 1 9 . 1 1 29 29 GLU H H 29 8.361 8.361 8.626 -0.265 18717 4729 1 9 . 1 1 30 30 MET N N 30 119.159 119.159 117.933 1.226 18717 4730 1 9 . 1 1 30 30 MET HA H 30 3.999 3.999 4.344 -0.345 18717 4731 1 9 . 1 1 30 30 MET CA C 30 58.946 58.946 58.945 0.001 18717 4732 1 9 . 1 1 30 30 MET CB C 30 31.941 31.941 32.760 -0.819 18717 4733 1 9 . 1 1 30 30 MET H H 30 7.541 7.541 7.344 0.197 18717 4734 1 9 . 1 1 31 31 MET N N 31 117.316 117.316 117.313 0.003 18717 4735 1 9 . 1 1 31 31 MET HA H 31 3.833 3.833 3.996 -0.163 18717 4736 1 9 . 1 1 31 31 MET CA C 31 58.966 58.966 59.456 -0.490 18717 4737 1 9 . 1 1 31 31 MET CB C 31 32.253 32.253 32.264 -0.011 18717 4738 1 9 . 1 1 31 31 MET H H 31 8.310 8.310 8.189 0.121 18717 4739 1 9 . 1 1 32 32 ASN N N 32 116.639 116.639 118.978 -2.339 18717 4740 1 9 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.347 0.611 18717 4741 1 9 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.063 -2.788 18717 4742 1 9 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.836 -1.921 18717 4743 1 9 . 1 1 32 32 ASN H H 32 8.728 8.728 8.577 0.151 18717 4744 1 9 . 1 1 33 33 GLU N N 33 125.338 125.338 119.248 6.090 18717 4745 1 9 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.176 0.010 18717 4746 1 9 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.749 0.762 18717 4747 1 9 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.474 -0.246 18717 4748 1 9 . 1 1 33 33 GLU H H 33 7.918 7.918 7.880 0.038 18717 4749 1 9 . 1 1 34 34 ILE N N 34 119.962 119.962 121.696 -1.734 18717 4750 1 9 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.710 -0.239 18717 4751 1 9 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.346 0.448 18717 4752 1 9 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.828 0.094 18717 4753 1 9 . 1 1 34 34 ILE H H 34 7.576 7.576 7.504 0.072 18717 4754 1 9 . 1 1 35 35 VAL N N 35 119.021 119.021 117.821 1.200 18717 4755 1 9 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.650 -0.075 18717 4756 1 9 . 1 1 35 35 VAL CA C 35 66.145 66.145 66.262 -0.117 18717 4757 1 9 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.027 0.472 18717 4758 1 9 . 1 1 35 35 VAL H H 35 8.657 8.657 8.374 0.283 18717 4759 1 9 . 1 1 36 36 SER N N 36 114.977 114.977 116.351 -1.374 18717 4760 1 9 . 1 1 36 36 SER HA H 36 4.171 4.171 4.130 0.041 18717 4761 1 9 . 1 1 36 36 SER CA C 36 61.604 61.604 61.787 -0.183 18717 4762 1 9 . 1 1 36 36 SER CB C 36 62.415 62.415 62.981 -0.566 18717 4763 1 9 . 1 1 36 36 SER H H 36 8.175 8.175 7.613 0.562 18717 4764 1 9 . 1 1 37 37 LYS N N 37 119.000 119.000 121.620 -2.620 18717 4765 1 9 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.045 0.132 18717 4766 1 9 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.434 -1.278 18717 4767 1 9 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.080 -1.700 18717 4768 1 9 . 1 1 37 37 LYS H H 37 7.283 7.283 8.254 -0.971 18717 4769 1 9 . 1 1 38 38 MET N N 38 119.061 119.061 118.617 0.444 18717 4770 1 9 . 1 1 38 38 MET HA H 38 3.430 3.430 4.150 -0.720 18717 4771 1 9 . 1 1 38 38 MET CA C 38 59.676 59.676 58.171 1.505 18717 4772 1 9 . 1 1 38 38 MET CB C 38 31.961 31.961 32.024 -0.063 18717 4773 1 9 . 1 1 38 38 MET H H 38 7.740 7.740 7.964 -0.224 18717 4774 1 9 . 1 1 39 39 ASP N N 39 118.445 118.445 118.129 0.316 18717 4775 1 9 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.326 -0.236 18717 4776 1 9 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.103 1.670 18717 4777 1 9 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.606 2.536 18717 4778 1 9 . 1 1 39 39 ASP H H 39 8.603 8.603 7.845 0.758 18717 4779 1 9 . 1 1 40 40 ASP N N 40 117.427 117.427 120.819 -3.392 18717 4780 1 9 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.312 -0.123 18717 4781 1 9 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.512 -0.185 18717 4782 1 9 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.716 0.325 18717 4783 1 9 . 1 1 40 40 ASP H H 40 8.397 8.397 7.576 0.821 18717 4784 1 9 . 1 1 41 41 PHE N N 41 119.507 119.507 119.381 0.126 18717 4785 1 9 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.016 -0.045 18717 4786 1 9 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.215 1.948 18717 4787 1 9 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.432 1.066 18717 4788 1 9 . 1 1 41 41 PHE H H 41 8.248 8.248 7.738 0.510 18717 4789 1 9 . 1 1 42 42 LEU N N 42 118.072 118.072 119.756 -1.684 18717 4790 1 9 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.861 -0.136 18717 4791 1 9 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.369 -0.201 18717 4792 1 9 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.059 0.590 18717 4793 1 9 . 1 1 42 42 LEU H H 42 8.203 8.203 8.029 0.174 18717 4794 1 9 . 1 1 43 43 MET N N 43 121.878 121.878 119.026 2.852 18717 4795 1 9 . 1 1 43 43 MET HA H 43 4.063 4.063 4.049 0.014 18717 4796 1 9 . 1 1 43 43 MET CA C 43 57.664 57.664 59.227 -1.563 18717 4797 1 9 . 1 1 43 43 MET CB C 43 30.833 30.833 32.301 -1.468 18717 4798 1 9 . 1 1 43 43 MET H H 43 9.073 9.073 8.157 0.916 18717 4799 1 9 . 1 1 44 44 LYS N N 44 122.276 122.276 119.580 2.696 18717 4800 1 9 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.019 -0.154 18717 4801 1 9 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.661 -0.177 18717 4802 1 9 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.364 -0.839 18717 4803 1 9 . 1 1 44 44 LYS H H 44 7.678 7.678 7.664 0.014 18717 4804 1 9 . 1 1 46 46 SER N N 46 113.504 113.504 113.010 0.494 18717 4805 1 9 . 1 1 46 46 SER HA H 46 3.744 3.744 4.146 -0.402 18717 4806 1 9 . 1 1 46 46 SER CA C 46 61.358 61.358 61.309 0.049 18717 4807 1 9 . 1 1 46 46 SER CB C 46 62.674 62.674 63.018 -0.344 18717 4808 1 9 . 1 1 46 46 SER H H 46 8.467 8.467 7.965 0.502 18717 4809 1 9 . 1 1 47 47 LYS N N 47 120.235 120.235 121.630 -1.395 18717 4810 1 9 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.295 -0.340 18717 4811 1 9 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.264 0.550 18717 4812 1 9 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.681 0.332 18717 4813 1 9 . 1 1 47 47 LYS H H 47 7.659 7.659 7.475 0.184 18717 4814 1 9 . 1 1 48 48 ILE N N 48 120.699 120.699 119.285 1.414 18717 4815 1 9 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.896 -0.431 18717 4816 1 9 . 1 1 48 48 ILE CA C 48 66.092 66.092 64.281 1.811 18717 4817 1 9 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.197 -0.250 18717 4818 1 9 . 1 1 48 48 ILE H H 48 7.803 7.803 7.919 -0.116 18717 4819 1 9 . 1 1 49 49 LEU N N 49 118.686 118.686 118.548 0.138 18717 4820 1 9 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.068 -0.003 18717 4821 1 9 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.708 0.406 18717 4822 1 9 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.713 -0.120 18717 4823 1 9 . 1 1 49 49 LEU H H 49 8.671 8.671 7.565 1.106 18717 4824 1 9 . 1 1 50 50 GLY N N 50 103.264 103.264 105.693 -2.429 18717 4825 1 9 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.870 -0.324 18717 4826 1 9 . 1 1 50 50 GLY H H 50 7.422 7.422 7.712 -0.290 18717 4827 1 9 . 1 1 51 51 LYS N N 51 121.616 121.616 120.741 0.875 18717 4828 1 9 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.232 0.038 18717 4829 1 9 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.942 0.386 18717 4830 1 9 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.532 1.644 18717 4831 1 9 . 1 1 51 51 LYS H H 51 7.227 7.227 7.565 -0.338 18717 4832 1 9 . 1 1 52 52 THR N N 52 112.472 112.472 113.714 -1.242 18717 4833 1 9 . 1 1 52 52 THR HA H 52 4.363 4.363 4.601 -0.238 18717 4834 1 9 . 1 1 52 52 THR CA C 52 60.280 60.280 59.934 0.346 18717 4835 1 9 . 1 1 52 52 THR CB C 52 69.989 69.989 70.637 -0.648 18717 4836 1 9 . 1 1 52 52 THR H H 52 8.298 8.298 7.912 0.386 18717 4837 1 9 . 1 1 53 53 ASN N N 53 118.660 118.660 119.811 -1.151 18717 4838 1 9 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.454 -0.191 18717 4839 1 9 . 1 1 53 53 ASN CA C 53 56.566 56.566 56.039 0.527 18717 4840 1 9 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.396 -0.206 18717 4841 1 9 . 1 1 53 53 ASN H H 53 8.739 8.739 8.837 -0.098 18717 4842 1 9 . 1 1 54 54 LYS N N 54 116.241 116.241 117.585 -1.344 18717 4843 1 9 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.079 0.005 18717 4844 1 9 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.175 -0.625 18717 4845 1 9 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.296 0.082 18717 4846 1 9 . 1 1 54 54 LYS H H 54 7.949 7.949 7.674 0.275 18717 4847 1 9 . 1 1 55 55 GLN N N 55 116.389 116.389 116.533 -0.144 18717 4848 1 9 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.272 -0.089 18717 4849 1 9 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.711 -0.090 18717 4850 1 9 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.989 0.534 18717 4851 1 9 . 1 1 55 55 GLN H H 55 7.492 7.492 7.758 -0.266 18717 4852 1 9 . 1 1 56 56 LEU N N 56 120.014 120.014 122.486 -2.472 18717 4853 1 9 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.237 0.210 18717 4854 1 9 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.775 -0.450 18717 4855 1 9 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.336 0.688 18717 4856 1 9 . 1 1 56 56 LEU H H 56 7.137 7.137 8.214 -1.077 18717 4857 1 9 . 1 1 57 57 THR N N 57 115.673 115.673 117.078 -1.405 18717 4858 1 9 . 1 1 57 57 THR HA H 57 4.491 4.491 4.597 -0.106 18717 4859 1 9 . 1 1 57 57 THR CA C 57 59.638 59.638 59.956 -0.318 18717 4860 1 9 . 1 1 57 57 THR CB C 57 71.233 71.233 70.899 0.334 18717 4861 1 9 . 1 1 57 57 THR H H 57 8.986 8.986 7.886 1.100 18717 4862 1 9 . 1 1 58 58 ARG N N 58 121.180 121.180 121.405 -0.225 18717 4863 1 9 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.051 -0.174 18717 4864 1 9 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.867 -0.050 18717 4865 1 9 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.754 -0.423 18717 4866 1 9 . 1 1 58 58 ARG H H 58 8.783 8.783 8.752 0.031 18717 4867 1 9 . 1 1 59 59 SER N N 59 113.863 113.863 113.226 0.637 18717 4868 1 9 . 1 1 59 59 SER HA H 59 4.116 4.116 4.237 -0.121 18717 4869 1 9 . 1 1 59 59 SER CA C 59 60.988 60.988 61.459 -0.471 18717 4870 1 9 . 1 1 59 59 SER CB C 59 62.156 62.156 62.676 -0.520 18717 4871 1 9 . 1 1 59 59 SER H H 59 8.198 8.198 8.291 -0.093 18717 4872 1 9 . 1 1 60 60 ASP N N 60 122.780 122.780 121.548 1.232 18717 4873 1 9 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.509 -0.457 18717 4874 1 9 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.675 -0.137 18717 4875 1 9 . 1 1 60 60 ASP CB C 60 41.978 41.978 41.038 0.940 18717 4876 1 9 . 1 1 60 60 ASP H H 60 7.623 7.623 7.655 -0.032 18717 4877 1 9 . 1 1 61 61 ARG N N 61 117.219 117.219 120.213 -2.994 18717 4878 1 9 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.213 -0.494 18717 4879 1 9 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.271 0.266 18717 4880 1 9 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.673 -1.069 18717 4881 1 9 . 1 1 61 61 ARG H H 61 7.966 7.966 8.070 -0.104 18717 4882 1 9 . 1 1 62 62 GLU N N 62 118.341 118.341 120.046 -1.705 18717 4883 1 9 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.109 -0.167 18717 4884 1 9 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.741 -0.705 18717 4885 1 9 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.908 -0.425 18717 4886 1 9 . 1 1 62 62 GLU H H 62 7.556 7.556 8.619 -1.063 18717 4887 1 9 . 1 1 63 63 VAL N N 63 116.650 116.650 117.432 -0.782 18717 4888 1 9 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.876 -0.295 18717 4889 1 9 . 1 1 63 63 VAL CA C 63 64.617 64.617 66.364 -1.747 18717 4890 1 9 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.476 -1.195 18717 4891 1 9 . 1 1 63 63 VAL H H 63 7.398 7.398 7.869 -0.471 18717 4892 1 9 . 1 1 64 64 LEU N N 64 121.502 121.502 122.332 -0.830 18717 4893 1 9 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.139 -0.431 18717 4894 1 9 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.504 -0.637 18717 4895 1 9 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.145 0.791 18717 4896 1 9 . 1 1 64 64 LEU H H 64 7.889 7.889 7.978 -0.089 18717 4897 1 9 . 1 1 65 65 ASP N N 65 119.200 119.200 118.693 0.507 18717 4898 1 9 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.351 0.041 18717 4899 1 9 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.792 -0.530 18717 4900 1 9 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.793 -1.068 18717 4901 1 9 . 1 1 65 65 ASP H H 65 7.846 7.846 8.180 -0.334 18717 4902 1 9 . 1 1 66 66 ASN N N 66 120.252 120.252 119.241 1.011 18717 4903 1 9 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.501 0.002 18717 4904 1 9 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.914 0.175 18717 4905 1 9 . 1 1 66 66 ASN CB C 66 38.019 38.019 39.096 -1.077 18717 4906 1 9 . 1 1 66 66 ASN H H 66 7.480 7.480 7.763 -0.283 18717 4907 1 9 . 1 1 67 67 TRP N N 67 122.830 122.830 122.805 0.025 18717 4908 1 9 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.110 0.389 18717 4909 1 9 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.940 -2.653 18717 4910 1 9 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.043 -0.979 18717 4911 1 9 . 1 1 67 67 TRP H H 67 8.730 8.730 8.659 0.071 18717 4912 1 9 . 1 1 68 68 ARG N N 68 120.279 120.279 118.450 1.829 18717 4913 1 9 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.096 1.747 18717 4914 1 9 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.273 -0.096 18717 4915 1 9 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.218 -0.912 18717 4916 1 9 . 1 1 68 68 ARG H H 68 7.976 7.976 7.553 0.423 18717 4917 1 9 . 1 1 69 69 GLU N N 69 121.656 121.656 120.515 1.141 18717 4918 1 9 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.114 0.169 18717 4919 1 9 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.456 0.849 18717 4920 1 9 . 1 1 69 69 GLU CB C 69 29.982 29.982 28.957 1.025 18717 4921 1 9 . 1 1 69 69 GLU H H 69 8.676 8.676 7.309 1.367 18717 4922 1 9 . 1 1 70 70 LEU N N 70 120.066 120.066 119.596 0.470 18717 4923 1 9 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.199 -0.064 18717 4924 1 9 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.762 0.239 18717 4925 1 9 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.038 0.332 18717 4926 1 9 . 1 1 70 70 LEU H H 70 7.963 7.963 8.034 -0.071 18717 4927 1 9 . 1 1 71 71 GLU N N 71 118.326 118.326 118.739 -0.413 18717 4928 1 9 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.919 -0.354 18717 4929 1 9 . 1 1 71 71 GLU CA C 71 59.318 59.318 58.864 0.454 18717 4930 1 9 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.736 0.434 18717 4931 1 9 . 1 1 71 71 GLU H H 71 8.278 8.278 7.638 0.640 18717 4932 1 9 . 1 1 72 72 MET N N 72 117.881 117.881 114.474 3.407 18717 4933 1 9 . 1 1 72 72 MET HA H 72 4.163 4.163 4.430 -0.267 18717 4934 1 9 . 1 1 72 72 MET CA C 72 57.906 57.906 57.684 0.222 18717 4935 1 9 . 1 1 72 72 MET CB C 72 32.006 32.006 33.256 -1.250 18717 4936 1 9 . 1 1 72 72 MET H H 72 7.966 7.966 7.335 0.631 18717 4937 1 9 . 1 1 73 73 LYS N N 73 119.844 119.844 119.324 0.520 18717 4938 1 9 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.240 -0.183 18717 4939 1 9 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.665 0.452 18717 4940 1 9 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.031 0.362 18717 4941 1 9 . 1 1 73 73 LYS H H 73 7.959 7.959 7.769 0.190 18717 4942 1 9 . 1 1 74 74 ALA N N 74 120.588 120.588 122.380 -1.792 18717 4943 1 9 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.294 -0.277 18717 4944 1 9 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.408 0.702 18717 4945 1 9 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.027 -0.531 18717 4946 1 9 . 1 1 74 74 ALA H H 74 7.504 7.504 7.502 0.002 18717 4947 1 9 . 1 1 75 75 ARG N N 75 111.895 111.895 115.268 -3.373 18717 4948 1 9 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.977 -0.172 18717 4949 1 9 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.125 0.248 18717 4950 1 9 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.762 -0.366 18717 4951 1 9 . 1 1 75 75 ARG H H 75 7.550 7.550 7.796 -0.246 18717 4952 1 9 . 1 1 76 76 LYS N N 76 114.585 114.585 117.812 -3.227 18717 4953 1 9 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.299 -0.185 18717 4954 1 9 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.839 -0.337 18717 4955 1 9 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.734 -2.458 18717 4956 1 9 . 1 1 76 76 LYS H H 76 7.810 7.810 7.819 -0.009 18717 4957 1 9 . 1 1 77 77 ARG N N 77 119.199 119.199 124.007 -4.808 18717 4958 1 9 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.247 -0.199 18717 4959 1 9 . 1 1 77 77 ARG CA C 77 55.690 55.690 54.894 0.796 18717 4960 1 9 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.026 1.450 18717 4961 1 9 . 1 1 77 77 ARG H H 77 7.916 7.916 8.419 -0.503 18717 4962 1 9 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.031 0.132 18717 4963 1 9 . 1 1 80 80 THR N N 80 110.230 110.230 112.931 -2.701 18717 4964 1 9 . 1 1 80 80 THR HA H 80 4.526 4.526 4.524 0.002 18717 4965 1 9 . 1 1 80 80 THR CA C 80 58.081 58.081 60.264 -2.183 18717 4966 1 9 . 1 1 80 80 THR CB C 80 67.980 67.980 70.348 -2.368 18717 4967 1 9 . 1 1 80 80 THR H H 80 6.530 6.530 7.514 -0.984 18717 4968 1 9 . 1 1 81 81 THR N N 81 114.552 114.552 117.771 -3.219 18717 4969 1 9 . 1 1 81 81 THR HA H 81 4.260 4.260 4.617 -0.357 18717 4970 1 9 . 1 1 81 81 THR CA C 81 61.767 61.767 63.296 -1.529 18717 4971 1 9 . 1 1 81 81 THR CB C 81 68.383 68.383 69.796 -1.413 18717 4972 1 9 . 1 1 81 81 THR H H 81 7.674 7.674 8.451 -0.777 18717 4973 1 9 . 1 1 82 82 LEU N N 82 127.155 127.155 125.035 2.120 18717 4974 1 9 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.299 -0.307 18717 4975 1 9 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.782 -1.068 18717 4976 1 9 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.989 -1.611 18717 4977 1 9 . 1 1 82 82 LEU H H 82 8.465 8.465 7.507 0.958 18717 4978 1 9 . 1 1 83 83 PHE N N 83 113.552 113.552 117.505 -3.953 18717 4979 1 9 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.661 0.261 18717 4980 1 9 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.590 -0.926 18717 4981 1 9 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.805 1.244 18717 4982 1 9 . 1 1 83 83 PHE H H 83 6.370 6.370 6.991 -0.621 18717 4983 1 9 . 1 1 84 84 PHE N N 84 116.628 116.628 118.766 -2.138 18717 4984 1 9 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.138 0.137 18717 4985 1 9 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.766 -1.415 18717 4986 1 9 . 1 1 84 84 PHE CB C 84 42.823 42.823 44.005 -1.181 18717 4987 1 9 . 1 1 84 84 PHE H H 84 9.579 9.579 9.093 0.486 18717 4988 1 9 . 1 1 85 85 ILE N N 85 113.827 113.827 114.821 -0.994 18717 4989 1 9 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.051 0.091 18717 4990 1 9 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.079 0.207 18717 4991 1 9 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.737 -0.450 18717 4992 1 9 . 1 1 85 85 ILE H H 85 9.410 9.410 8.278 1.132 18717 4993 1 9 . 1 1 86 86 GLU N N 86 124.724 124.724 124.346 0.378 18717 4994 1 9 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.772 -0.147 18717 4995 1 9 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.533 0.183 18717 4996 1 9 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.762 -0.752 18717 4997 1 9 . 1 1 86 86 GLU H H 86 9.957 9.957 8.669 1.288 18717 4998 1 9 . 1 1 87 87 THR N N 87 106.336 106.336 111.423 -5.087 18717 4999 1 9 . 1 1 87 87 THR HA H 87 3.695 3.695 4.114 -0.419 18717 5000 1 9 . 1 1 87 87 THR CA C 87 63.680 63.680 64.844 -1.164 18717 5001 1 9 . 1 1 87 87 THR CB C 87 67.530 67.530 68.382 -0.852 18717 5002 1 9 . 1 1 87 87 THR H H 87 7.659 7.659 8.200 -0.541 18717 5003 1 9 . 1 1 88 88 ASP N N 88 119.814 119.814 119.562 0.252 18717 5004 1 9 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.963 -0.749 18717 5005 1 9 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.768 1.730 18717 5006 1 9 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.213 -1.132 18717 5007 1 9 . 1 1 88 88 ASP H H 88 7.605 7.605 8.006 -0.401 18717 5008 1 9 . 1 1 89 89 ILE N N 89 113.246 113.246 119.068 -5.822 18717 5009 1 9 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.425 -0.611 18717 5010 1 9 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.562 -3.054 18717 5011 1 9 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.553 -2.753 18717 5012 1 9 . 1 1 89 89 ILE H H 89 6.538 6.538 7.691 -1.153 18717 5013 1 9 . 1 1 90 90 ARG N N 90 119.499 119.499 122.195 -2.696 18717 5014 1 9 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.181 -0.565 18717 5015 1 9 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.255 0.810 18717 5016 1 9 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.494 0.399 18717 5017 1 9 . 1 1 90 90 ARG H H 90 7.721 7.721 8.472 -0.751 18717 5018 1 9 . 1 1 92 92 MET N N 92 113.492 113.492 114.540 -1.048 18717 5019 1 9 . 1 1 92 92 MET HA H 92 4.175 4.175 4.524 -0.349 18717 5020 1 9 . 1 1 92 92 MET CA C 92 55.799 55.799 56.036 -0.237 18717 5021 1 9 . 1 1 92 92 MET CB C 92 33.950 33.950 34.802 -0.852 18717 5022 1 9 . 1 1 92 92 MET H H 92 7.549 7.549 7.617 -0.069 18717 5023 1 9 . 1 1 93 93 LEU N N 93 117.943 117.943 118.452 -0.509 18717 5024 1 9 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.182 0.252 18717 5025 1 9 . 1 1 93 93 LEU CA C 93 52.855 52.855 55.713 -2.858 18717 5026 1 9 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.253 0.606 18717 5027 1 9 . 1 1 93 93 LEU H H 93 7.297 7.297 7.449 -0.152 18717 5028 1 9 . 1 1 94 94 GLN N N 94 121.536 121.536 117.894 3.642 18717 5029 1 9 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.417 -0.249 18717 5030 1 9 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.158 0.933 18717 5031 1 9 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.159 -1.996 18717 5032 1 9 . 1 1 94 94 GLN H H 94 8.675 8.675 8.224 0.451 18717 5033 1 9 . 1 1 95 95 ASP N N 95 123.380 123.380 127.332 -3.952 18717 5034 1 9 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.361 -0.477 18717 5035 1 9 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.696 1.797 18717 5036 1 9 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.579 -0.399 18717 5037 1 9 . 1 1 95 95 ASP H H 95 8.804 8.804 8.869 -0.065 18717 5038 1 9 . 1 1 96 96 ARG N N 96 115.337 115.337 117.862 -2.525 18717 5039 1 9 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.374 -0.285 18717 5040 1 9 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.348 1.459 18717 5041 1 9 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.300 0.131 18717 5042 1 9 . 1 1 96 96 ARG H H 96 8.652 8.652 8.312 0.340 18717 5043 1 9 . 1 1 97 97 LEU N N 97 118.485 118.485 121.200 -2.715 18717 5044 1 9 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.232 0.158 18717 5045 1 9 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.168 -0.757 18717 5046 1 9 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.830 1.264 18717 5047 1 9 . 1 1 97 97 LEU H H 97 7.776 7.776 7.446 0.330 18717 5048 1 9 . 1 1 98 98 ARG N N 98 119.863 119.863 116.559 3.304 18717 5049 1 9 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.111 -0.202 18717 5050 1 9 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.594 5.697 18717 5051 1 9 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.614 -0.789 18717 5052 1 9 . 1 1 98 98 ARG H H 98 7.553 7.553 7.445 0.108 18717 5053 1 9 . 1 1 100 100 SER N N 100 111.387 111.387 115.565 -4.178 18717 5054 1 9 . 1 1 100 100 SER HA H 100 4.360 4.360 4.375 -0.015 18717 5055 1 9 . 1 1 100 100 SER CA C 100 59.923 59.923 59.336 0.587 18717 5056 1 9 . 1 1 100 100 SER CB C 100 63.304 63.304 64.214 -0.910 18717 5057 1 9 . 1 1 100 100 SER H H 100 7.616 7.616 8.480 -0.864 18717 5058 1 9 . 1 1 101 101 PHE N N 101 123.367 123.367 124.058 -0.691 18717 5059 1 9 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.033 -0.327 18717 5060 1 9 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.663 1.053 18717 5061 1 9 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.829 -0.184 18717 5062 1 9 . 1 1 101 101 PHE H H 101 7.722 7.722 8.185 -0.463 18717 5063 1 9 . 1 1 102 102 ALA N N 102 117.466 117.466 118.427 -0.961 18717 5064 1 9 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.148 -0.272 18717 5065 1 9 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.689 -0.151 18717 5066 1 9 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.187 -0.057 18717 5067 1 9 . 1 1 102 102 ALA H H 102 8.525 8.525 8.837 -0.312 18717 5068 1 9 . 1 1 103 103 LYS N N 103 115.077 115.077 116.330 -1.253 18717 5069 1 9 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.439 -0.374 18717 5070 1 9 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.184 -0.448 18717 5071 1 9 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.106 -1.059 18717 5072 1 9 . 1 1 103 103 LYS H H 103 7.000 7.000 7.933 -0.933 18717 5073 1 9 . 1 1 104 104 ALA N N 104 119.948 119.948 122.766 -2.818 18717 5074 1 9 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.297 -0.489 18717 5075 1 9 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.641 0.358 18717 5076 1 9 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.559 -0.644 18717 5077 1 9 . 1 1 104 104 ALA H H 104 7.955 7.955 7.679 0.276 18717 5078 1 9 . 1 1 105 105 ILE N N 105 116.011 116.011 120.127 -4.116 18717 5079 1 9 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.896 -0.447 18717 5080 1 9 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.064 -0.865 18717 5081 1 9 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.186 -2.189 18717 5082 1 9 . 1 1 105 105 ILE H H 105 7.030 7.030 8.311 -1.281 18717 5083 1 9 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.402 -0.369 18717 5084 1 9 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.949 -0.027 18717 5085 1 9 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.887 0.076 18717 5086 1 9 . 1 1 107 107 CYS N N 107 115.533 115.533 115.513 0.020 18717 5087 1 9 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.303 -0.429 18717 5088 1 9 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.639 0.298 18717 5089 1 9 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.584 -0.680 18717 5090 1 9 . 1 1 107 107 CYS H H 107 6.558 6.558 7.705 -1.147 18717 5091 1 9 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.312 -0.459 18717 5092 1 9 . 1 1 109 109 ARG N N 109 120.576 120.576 117.808 2.768 18717 5093 1 9 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.333 0.059 18717 5094 1 9 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.551 -0.090 18717 5095 1 9 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.628 0.639 18717 5096 1 9 . 1 1 109 109 ARG H H 109 8.507 8.507 7.949 0.558 18717 5097 1 9 . 1 1 110 110 HIS N N 110 122.218 122.218 122.145 0.073 18717 5098 1 9 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.371 -0.285 18717 5099 1 9 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.184 1.574 18717 5100 1 9 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.930 0.965 18717 5101 1 9 . 1 1 110 110 HIS H H 110 7.998 7.998 8.406 -0.408 18717 5102 1 9 . 1 1 111 111 ILE N N 111 105.612 105.612 109.961 -4.349 18717 5103 1 9 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.395 -0.065 18717 5104 1 9 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.675 -0.082 18717 5105 1 9 . 1 1 111 111 ILE CB C 111 36.950 36.950 39.228 -2.278 18717 5106 1 9 . 1 1 111 111 ILE H H 111 6.904 6.904 7.205 -0.301 18717 5107 1 9 . 1 1 112 112 ARG N N 112 114.782 114.782 118.482 -3.700 18717 5108 1 9 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.038 -0.137 18717 5109 1 9 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.740 0.574 18717 5110 1 9 . 1 1 112 112 ARG CB C 112 26.240 26.240 28.184 -1.944 18717 5111 1 9 . 1 1 112 112 ARG H H 112 7.660 7.660 7.890 -0.230 18717 5112 1 9 . 1 1 113 113 ARG N N 113 114.996 114.996 117.646 -2.650 18717 5113 1 9 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.432 -0.182 18717 5114 1 9 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.512 -0.858 18717 5115 1 9 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.849 0.273 18717 5116 1 9 . 1 1 113 113 ARG H H 113 8.149 8.149 7.966 0.183 18717 5117 1 9 . 1 1 114 114 ILE N N 114 112.019 112.019 110.896 1.123 18717 5118 1 9 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.837 0.037 18717 5119 1 9 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.354 -2.752 18717 5120 1 9 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.489 0.911 18717 5121 1 9 . 1 1 114 114 ILE H H 114 6.810 6.810 7.292 -0.482 18717 5122 1 9 . 1 1 115 115 ARG N N 115 122.894 122.894 118.110 4.784 18717 5123 1 9 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.647 -0.290 18717 5124 1 9 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.212 -0.100 18717 5125 1 9 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.566 -1.508 18717 5126 1 9 . 1 1 115 115 ARG H H 115 8.822 8.822 8.403 0.419 18717 5127 1 9 . 1 1 116 116 GLU N N 116 118.962 118.962 119.089 -0.127 18717 5128 1 9 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.796 0.519 18717 5129 1 9 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.692 -1.590 18717 5130 1 9 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.308 2.626 18717 5131 1 9 . 1 1 116 116 GLU H H 116 8.329 8.329 8.440 -0.111 18717 5132 1 9 . 1 1 117 117 GLU N N 117 124.627 124.627 124.326 0.301 18717 5133 1 9 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.626 -0.095 18717 5134 1 9 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.373 -0.261 18717 5135 1 9 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.907 1.426 18717 5136 1 9 . 1 1 117 117 GLU H H 117 9.028 9.028 8.453 0.575 18717 5137 1 9 . 1 1 118 118 ARG N N 118 127.916 127.916 128.377 -0.461 18717 5138 1 9 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.293 0.319 18717 5139 1 9 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.702 0.091 18717 5140 1 9 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.148 0.993 18717 5141 1 9 . 1 1 118 118 ARG H H 118 8.952 8.952 8.724 0.228 18717 5142 1 9 . 1 1 119 119 CYS N N 119 126.785 126.785 127.906 -1.121 18717 5143 1 9 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.683 -0.025 18717 5144 1 9 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.088 -0.640 18717 5145 1 9 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.425 1.767 18717 5146 1 9 . 1 1 119 119 CYS H H 119 8.831 8.831 8.169 0.662 18717 5147 1 9 . 1 1 120 120 GLY N N 120 117.456 117.456 114.598 2.858 18717 5148 1 9 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.385 -0.873 18717 5149 1 9 . 1 1 120 120 GLY H H 120 8.873 8.873 8.095 0.778 18717 5150 1 9 . 1 1 122 122 LEU N N 122 121.777 121.777 119.385 2.392 18717 5151 1 9 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.577 -0.139 18717 5152 1 9 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.143 0.466 18717 5153 1 9 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.584 0.395 18717 5154 1 9 . 1 1 122 122 LEU H H 122 7.270 7.270 7.347 -0.077 18717 5155 1 9 . 1 1 123 123 THR N N 123 118.668 118.668 114.115 4.553 18717 5156 1 9 . 1 1 123 123 THR HA H 123 4.407 4.407 4.699 -0.292 18717 5157 1 9 . 1 1 123 123 THR CA C 123 61.769 61.769 61.615 0.154 18717 5158 1 9 . 1 1 123 123 THR CB C 123 69.263 69.263 71.067 -1.804 18717 5159 1 9 . 1 1 123 123 THR H H 123 7.649 7.649 7.980 -0.331 18717 5160 1 9 . 1 1 124 124 PHE N N 124 125.265 125.265 123.428 1.837 18717 5161 1 9 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.592 -1.321 18717 5162 1 9 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.441 1.146 18717 5163 1 9 . 1 1 124 124 PHE CB C 124 42.028 42.028 42.204 -0.176 18717 5164 1 9 . 1 1 124 124 PHE H H 124 8.553 8.553 8.634 -0.081 18717 5165 1 9 . 1 1 125 125 TYR N N 125 118.544 118.544 115.747 2.797 18717 5166 1 9 . 1 1 125 125 TYR HA H 125 5.286 5.286 5.001 0.285 18717 5167 1 9 . 1 1 125 125 TYR CA C 125 55.750 55.750 57.285 -1.535 18717 5168 1 9 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.289 -1.171 18717 5169 1 9 . 1 1 125 125 TYR H H 125 8.616 8.616 9.236 -0.620 18717 5170 1 9 . 1 1 126 126 TYR N N 126 115.848 115.848 119.010 -3.162 18717 5171 1 9 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.650 -0.390 18717 5172 1 9 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.171 0.757 18717 5173 1 9 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.612 -1.670 18717 5174 1 9 . 1 1 126 126 TYR H H 126 8.357 8.357 7.961 0.396 18717 5175 1 9 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.438 0.184 18717 5176 1 9 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.876 0.053 18717 5177 1 9 . 1 1 128 128 GLY N N 128 108.039 108.039 113.595 -5.556 18717 5178 1 9 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.633 -0.926 18717 5179 1 9 . 1 1 128 128 GLY H H 128 7.730 7.730 7.944 -0.214 18717 5180 1 9 . 1 1 129 129 SER N N 129 114.228 114.228 116.486 -2.258 18717 5181 1 9 . 1 1 129 129 SER HA H 129 4.438 4.438 4.841 -0.403 18717 5182 1 9 . 1 1 129 129 SER CA C 129 57.566 57.566 57.615 -0.049 18717 5183 1 9 . 1 1 129 129 SER CB C 129 63.772 63.772 65.946 -2.174 18717 5184 1 9 . 1 1 129 129 SER H H 129 8.102 8.102 8.265 -0.163 18717 5185 1 10 . 1 1 3 3 ASP N N 3 120.763 120.763 120.816 -0.053 18717 5186 1 10 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.886 -0.399 18717 5187 1 10 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.611 0.520 18717 5188 1 10 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.203 0.684 18717 5189 1 10 . 1 1 3 3 ASP H H 3 8.327 8.327 8.631 -0.304 18717 5190 1 10 . 1 1 4 4 ILE N N 4 121.147 121.147 121.149 -0.002 18717 5191 1 10 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.524 -0.479 18717 5192 1 10 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.645 2.078 18717 5193 1 10 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.806 -2.346 18717 5194 1 10 . 1 1 4 4 ILE H H 4 7.971 7.971 7.928 0.043 18717 5195 1 10 . 1 1 5 5 ARG N N 5 123.685 123.685 122.886 0.799 18717 5196 1 10 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.287 0.184 18717 5197 1 10 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.466 -2.047 18717 5198 1 10 . 1 1 5 5 ARG CB C 5 30.142 30.142 31.248 -1.106 18717 5199 1 10 . 1 1 5 5 ARG H H 5 8.067 8.067 8.142 -0.075 18717 5200 1 10 . 1 1 6 6 ILE N N 6 124.881 124.881 112.771 12.110 18717 5201 1 10 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.542 -0.759 18717 5202 1 10 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.130 2.311 18717 5203 1 10 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.864 -1.680 18717 5204 1 10 . 1 1 6 6 ILE H H 6 9.083 9.083 8.755 0.328 18717 5205 1 10 . 1 1 7 7 VAL N N 7 120.527 120.527 116.078 4.449 18717 5206 1 10 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.599 -0.508 18717 5207 1 10 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.826 -0.161 18717 5208 1 10 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.340 -1.648 18717 5209 1 10 . 1 1 7 7 VAL H H 7 9.067 9.067 7.884 1.183 18717 5210 1 10 . 1 1 9 9 GLN N N 9 120.479 120.479 120.231 0.248 18717 5211 1 10 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.154 -0.294 18717 5212 1 10 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.372 -0.473 18717 5213 1 10 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.871 0.951 18717 5214 1 10 . 1 1 9 9 GLN H H 9 8.305 8.305 8.420 -0.115 18717 5215 1 10 . 1 1 10 10 ILE N N 10 125.746 125.746 116.596 9.150 18717 5216 1 10 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.543 -0.493 18717 5217 1 10 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.895 0.392 18717 5218 1 10 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.446 -2.296 18717 5219 1 10 . 1 1 10 10 ILE H H 10 10.040 10.040 8.264 1.776 18717 5220 1 10 . 1 1 11 11 THR HA H 11 4.459 4.459 4.511 -0.052 18717 5221 1 10 . 1 1 11 11 THR CA C 11 60.124 60.124 60.036 0.088 18717 5222 1 10 . 1 1 11 11 THR CB C 11 71.036 71.036 70.586 0.450 18717 5223 1 10 . 1 1 12 12 ASP N N 12 121.634 121.634 120.994 0.640 18717 5224 1 10 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.497 -0.264 18717 5225 1 10 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.523 0.268 18717 5226 1 10 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.563 0.282 18717 5227 1 10 . 1 1 12 12 ASP H H 12 8.892 8.892 8.802 0.090 18717 5228 1 10 . 1 1 13 13 GLU N N 13 117.207 117.207 117.743 -0.536 18717 5229 1 10 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.149 -0.300 18717 5230 1 10 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.725 0.958 18717 5231 1 10 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.531 -0.376 18717 5232 1 10 . 1 1 13 13 GLU H H 13 8.421 8.421 8.592 -0.171 18717 5233 1 10 . 1 1 14 14 GLU N N 14 118.579 118.579 117.338 1.241 18717 5234 1 10 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.435 -0.458 18717 5235 1 10 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.959 1.534 18717 5236 1 10 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.265 1.150 18717 5237 1 10 . 1 1 14 14 GLU H H 14 7.647 7.647 7.952 -0.305 18717 5238 1 10 . 1 1 15 15 PHE N N 15 122.867 122.867 122.520 0.347 18717 5239 1 10 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.248 -0.403 18717 5240 1 10 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.383 -0.377 18717 5241 1 10 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.198 0.659 18717 5242 1 10 . 1 1 15 15 PHE H H 15 8.823 8.823 9.054 -0.231 18717 5243 1 10 . 1 1 16 16 LYS N N 16 115.192 115.192 117.234 -2.042 18717 5244 1 10 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.036 -0.073 18717 5245 1 10 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.393 -0.307 18717 5246 1 10 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.144 1.464 18717 5247 1 10 . 1 1 16 16 LYS H H 16 7.742 7.742 7.812 -0.070 18717 5248 1 10 . 1 1 17 17 THR N N 17 108.709 108.709 113.207 -4.498 18717 5249 1 10 . 1 1 17 17 THR HA H 17 4.269 4.269 4.211 0.058 18717 5250 1 10 . 1 1 17 17 THR CA C 17 61.767 61.767 63.233 -1.466 18717 5251 1 10 . 1 1 17 17 THR CB C 17 69.956 69.956 69.505 0.451 18717 5252 1 10 . 1 1 17 17 THR H H 17 7.518 7.518 7.797 -0.279 18717 5253 1 10 . 1 1 18 18 ILE N N 18 124.707 124.707 123.014 1.693 18717 5254 1 10 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.408 -0.796 18717 5255 1 10 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.810 1.591 18717 5256 1 10 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.815 -0.532 18717 5257 1 10 . 1 1 18 18 ILE H H 18 7.063 7.063 7.458 -0.395 18717 5258 1 10 . 1 1 20 20 LYS N N 20 124.646 124.646 119.971 4.675 18717 5259 1 10 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.919 -0.210 18717 5260 1 10 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.179 0.001 18717 5261 1 10 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.407 0.032 18717 5262 1 10 . 1 1 20 20 LYS H H 20 8.639 8.639 8.527 0.112 18717 5263 1 10 . 1 1 21 21 TYR N N 21 115.093 115.093 116.614 -1.521 18717 5264 1 10 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.342 -0.028 18717 5265 1 10 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.614 -0.700 18717 5266 1 10 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.414 -1.237 18717 5267 1 10 . 1 1 21 21 TYR H H 21 7.897 7.897 7.650 0.247 18717 5268 1 10 . 1 1 22 22 GLN N N 22 119.745 119.745 116.117 3.628 18717 5269 1 10 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.365 -0.439 18717 5270 1 10 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.020 0.586 18717 5271 1 10 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.407 -0.942 18717 5272 1 10 . 1 1 22 22 GLN H H 22 6.759 6.759 8.079 -1.320 18717 5273 1 10 . 1 1 23 23 LEU N N 23 118.619 118.619 120.084 -1.465 18717 5274 1 10 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.079 -0.227 18717 5275 1 10 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.707 -0.138 18717 5276 1 10 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.550 1.040 18717 5277 1 10 . 1 1 23 23 LEU H H 23 7.115 7.115 8.000 -0.885 18717 5278 1 10 . 1 1 24 24 GLY N N 24 103.606 103.606 106.628 -3.022 18717 5279 1 10 . 1 1 24 24 GLY CA C 24 46.923 46.923 45.089 1.834 18717 5280 1 10 . 1 1 24 24 GLY H H 24 7.541 7.541 7.869 -0.328 18717 5281 1 10 . 1 1 25 25 ARG N N 25 126.033 126.033 119.151 6.882 18717 5282 1 10 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.976 0.304 18717 5283 1 10 . 1 1 25 25 ARG CA C 25 55.373 55.373 57.181 -1.808 18717 5284 1 10 . 1 1 25 25 ARG CB C 25 29.946 29.946 29.974 -0.028 18717 5285 1 10 . 1 1 25 25 ARG H H 25 8.850 8.850 8.667 0.183 18717 5286 1 10 . 1 1 26 26 LEU N N 26 121.287 121.287 117.830 3.457 18717 5287 1 10 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.463 -0.205 18717 5288 1 10 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.334 2.262 18717 5289 1 10 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.364 -1.619 18717 5290 1 10 . 1 1 26 26 LEU H H 26 8.017 8.017 7.743 0.274 18717 5291 1 10 . 1 1 27 27 THR N N 27 110.943 110.943 109.912 1.031 18717 5292 1 10 . 1 1 27 27 THR HA H 27 4.626 4.626 4.540 0.086 18717 5293 1 10 . 1 1 27 27 THR CA C 27 58.272 58.272 61.068 -2.796 18717 5294 1 10 . 1 1 27 27 THR H H 27 7.129 7.129 7.837 -0.708 18717 5295 1 10 . 1 1 28 28 LEU N N 28 124.601 124.601 122.622 1.979 18717 5296 1 10 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.654 -0.427 18717 5297 1 10 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.888 -1.054 18717 5298 1 10 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.553 -1.641 18717 5299 1 10 . 1 1 28 28 LEU H H 28 8.404 8.404 8.016 0.388 18717 5300 1 10 . 1 1 29 29 GLU N N 29 117.021 117.021 118.581 -1.560 18717 5301 1 10 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.845 0.041 18717 5302 1 10 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.496 0.471 18717 5303 1 10 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.308 -0.495 18717 5304 1 10 . 1 1 29 29 GLU H H 29 8.361 8.361 8.629 -0.268 18717 5305 1 10 . 1 1 30 30 MET N N 30 119.159 119.159 118.357 0.802 18717 5306 1 10 . 1 1 30 30 MET HA H 30 3.999 3.999 4.345 -0.346 18717 5307 1 10 . 1 1 30 30 MET CA C 30 58.946 58.946 58.135 0.811 18717 5308 1 10 . 1 1 30 30 MET CB C 30 31.941 31.941 32.397 -0.456 18717 5309 1 10 . 1 1 30 30 MET H H 30 7.541 7.541 7.335 0.206 18717 5310 1 10 . 1 1 31 31 MET N N 31 117.316 117.316 118.425 -1.109 18717 5311 1 10 . 1 1 31 31 MET HA H 31 3.833 3.833 3.984 -0.151 18717 5312 1 10 . 1 1 31 31 MET CA C 31 58.966 58.966 59.175 -0.209 18717 5313 1 10 . 1 1 31 31 MET CB C 31 32.253 32.253 32.216 0.037 18717 5314 1 10 . 1 1 31 31 MET H H 31 8.310 8.310 7.951 0.359 18717 5315 1 10 . 1 1 32 32 ASN N N 32 116.639 116.639 119.310 -2.671 18717 5316 1 10 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.396 0.562 18717 5317 1 10 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.724 -2.450 18717 5318 1 10 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.420 -1.505 18717 5319 1 10 . 1 1 32 32 ASN H H 32 8.728 8.728 8.625 0.103 18717 5320 1 10 . 1 1 33 33 GLU N N 33 125.338 125.338 118.529 6.809 18717 5321 1 10 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.139 0.047 18717 5322 1 10 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.902 0.609 18717 5323 1 10 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.410 -0.182 18717 5324 1 10 . 1 1 33 33 GLU H H 33 7.918 7.918 7.859 0.059 18717 5325 1 10 . 1 1 34 34 ILE N N 34 119.962 119.962 121.842 -1.880 18717 5326 1 10 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.653 -0.182 18717 5327 1 10 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.184 0.610 18717 5328 1 10 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.776 0.146 18717 5329 1 10 . 1 1 34 34 ILE H H 34 7.576 7.576 7.588 -0.012 18717 5330 1 10 . 1 1 35 35 VAL N N 35 119.021 119.021 117.954 1.067 18717 5331 1 10 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.766 -0.191 18717 5332 1 10 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.947 0.198 18717 5333 1 10 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.712 0.787 18717 5334 1 10 . 1 1 35 35 VAL H H 35 8.657 8.657 8.531 0.126 18717 5335 1 10 . 1 1 36 36 SER N N 36 114.977 114.977 116.527 -1.550 18717 5336 1 10 . 1 1 36 36 SER HA H 36 4.171 4.171 4.218 -0.047 18717 5337 1 10 . 1 1 36 36 SER CA C 36 61.604 61.604 61.709 -0.105 18717 5338 1 10 . 1 1 36 36 SER CB C 36 62.415 62.415 62.955 -0.540 18717 5339 1 10 . 1 1 36 36 SER H H 36 8.175 8.175 7.714 0.461 18717 5340 1 10 . 1 1 37 37 LYS N N 37 119.000 119.000 122.122 -3.122 18717 5341 1 10 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.041 0.136 18717 5342 1 10 . 1 1 37 37 LYS CA C 37 57.155 57.155 59.395 -2.240 18717 5343 1 10 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.393 -2.013 18717 5344 1 10 . 1 1 37 37 LYS H H 37 7.283 7.283 8.116 -0.833 18717 5345 1 10 . 1 1 38 38 MET N N 38 119.061 119.061 116.448 2.613 18717 5346 1 10 . 1 1 38 38 MET HA H 38 3.430 3.430 3.899 -0.469 18717 5347 1 10 . 1 1 38 38 MET CA C 38 59.676 59.676 59.150 0.526 18717 5348 1 10 . 1 1 38 38 MET CB C 38 31.961 31.961 31.784 0.177 18717 5349 1 10 . 1 1 38 38 MET H H 38 7.740 7.740 7.954 -0.214 18717 5350 1 10 . 1 1 39 39 ASP N N 39 118.445 118.445 118.644 -0.199 18717 5351 1 10 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.475 -0.385 18717 5352 1 10 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.280 1.493 18717 5353 1 10 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.786 2.356 18717 5354 1 10 . 1 1 39 39 ASP H H 39 8.603 8.603 8.013 0.590 18717 5355 1 10 . 1 1 40 40 ASP N N 40 117.427 117.427 120.446 -3.019 18717 5356 1 10 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.404 -0.215 18717 5357 1 10 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.399 -0.072 18717 5358 1 10 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.833 0.208 18717 5359 1 10 . 1 1 40 40 ASP H H 40 8.397 8.397 7.762 0.635 18717 5360 1 10 . 1 1 41 41 PHE N N 41 119.507 119.507 120.973 -1.466 18717 5361 1 10 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.157 -0.186 18717 5362 1 10 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.541 2.621 18717 5363 1 10 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.882 0.616 18717 5364 1 10 . 1 1 41 41 PHE H H 41 8.248 8.248 7.949 0.299 18717 5365 1 10 . 1 1 42 42 LEU N N 42 118.072 118.072 120.072 -2.000 18717 5366 1 10 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.886 -0.161 18717 5367 1 10 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.305 -0.137 18717 5368 1 10 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.319 0.330 18717 5369 1 10 . 1 1 42 42 LEU H H 42 8.203 8.203 8.113 0.090 18717 5370 1 10 . 1 1 43 43 MET N N 43 121.878 121.878 119.274 2.604 18717 5371 1 10 . 1 1 43 43 MET HA H 43 4.063 4.063 4.101 -0.038 18717 5372 1 10 . 1 1 43 43 MET CA C 43 57.664 57.664 59.169 -1.505 18717 5373 1 10 . 1 1 43 43 MET CB C 43 30.833 30.833 32.699 -1.866 18717 5374 1 10 . 1 1 43 43 MET H H 43 9.073 9.073 8.193 0.880 18717 5375 1 10 . 1 1 44 44 LYS N N 44 122.276 122.276 118.893 3.383 18717 5376 1 10 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.048 -0.183 18717 5377 1 10 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.264 0.220 18717 5378 1 10 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.056 -0.531 18717 5379 1 10 . 1 1 44 44 LYS H H 44 7.678 7.678 7.936 -0.258 18717 5380 1 10 . 1 1 46 46 SER N N 46 113.504 113.504 113.779 -0.275 18717 5381 1 10 . 1 1 46 46 SER HA H 46 3.744 3.744 4.110 -0.366 18717 5382 1 10 . 1 1 46 46 SER CA C 46 61.358 61.358 61.201 0.157 18717 5383 1 10 . 1 1 46 46 SER CB C 46 62.674 62.674 63.071 -0.397 18717 5384 1 10 . 1 1 46 46 SER H H 46 8.467 8.467 7.869 0.598 18717 5385 1 10 . 1 1 47 47 LYS N N 47 120.235 120.235 120.941 -0.706 18717 5386 1 10 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.087 -0.132 18717 5387 1 10 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.963 -0.149 18717 5388 1 10 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.864 0.149 18717 5389 1 10 . 1 1 47 47 LYS H H 47 7.659 7.659 7.465 0.194 18717 5390 1 10 . 1 1 48 48 ILE N N 48 120.699 120.699 118.920 1.779 18717 5391 1 10 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.906 -0.441 18717 5392 1 10 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.567 2.525 18717 5393 1 10 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.485 -0.538 18717 5394 1 10 . 1 1 48 48 ILE H H 48 7.803 7.803 7.283 0.520 18717 5395 1 10 . 1 1 49 49 LEU N N 49 118.686 118.686 118.446 0.240 18717 5396 1 10 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.032 0.033 18717 5397 1 10 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.574 0.540 18717 5398 1 10 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.541 0.052 18717 5399 1 10 . 1 1 49 49 LEU H H 49 8.671 8.671 7.428 1.243 18717 5400 1 10 . 1 1 50 50 GLY N N 50 103.264 103.264 105.753 -2.489 18717 5401 1 10 . 1 1 50 50 GLY CA C 50 44.546 44.546 45.009 -0.463 18717 5402 1 10 . 1 1 50 50 GLY H H 50 7.422 7.422 7.725 -0.303 18717 5403 1 10 . 1 1 51 51 LYS N N 51 121.616 121.616 121.610 0.006 18717 5404 1 10 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.144 0.126 18717 5405 1 10 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.836 0.492 18717 5406 1 10 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.778 1.398 18717 5407 1 10 . 1 1 51 51 LYS H H 51 7.227 7.227 7.595 -0.368 18717 5408 1 10 . 1 1 52 52 THR N N 52 112.472 112.472 113.053 -0.581 18717 5409 1 10 . 1 1 52 52 THR HA H 52 4.363 4.363 4.698 -0.335 18717 5410 1 10 . 1 1 52 52 THR CA C 52 60.280 60.280 59.633 0.647 18717 5411 1 10 . 1 1 52 52 THR CB C 52 69.989 69.989 71.970 -1.981 18717 5412 1 10 . 1 1 52 52 THR H H 52 8.298 8.298 8.208 0.090 18717 5413 1 10 . 1 1 53 53 ASN N N 53 118.660 118.660 118.017 0.643 18717 5414 1 10 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.387 -0.124 18717 5415 1 10 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.866 0.700 18717 5416 1 10 . 1 1 53 53 ASN CB C 53 38.190 38.190 37.856 0.334 18717 5417 1 10 . 1 1 53 53 ASN H H 53 8.739 8.739 8.772 -0.033 18717 5418 1 10 . 1 1 54 54 LYS N N 54 116.241 116.241 118.903 -2.662 18717 5419 1 10 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.212 -0.128 18717 5420 1 10 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.049 -0.498 18717 5421 1 10 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.454 -0.076 18717 5422 1 10 . 1 1 54 54 LYS H H 54 7.949 7.949 7.710 0.239 18717 5423 1 10 . 1 1 55 55 GLN N N 55 116.389 116.389 116.845 -0.456 18717 5424 1 10 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.356 -0.173 18717 5425 1 10 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.565 0.056 18717 5426 1 10 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.007 0.516 18717 5427 1 10 . 1 1 55 55 GLN H H 55 7.492 7.492 7.562 -0.070 18717 5428 1 10 . 1 1 56 56 LEU N N 56 120.014 120.014 122.737 -2.723 18717 5429 1 10 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.173 0.274 18717 5430 1 10 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.594 -0.269 18717 5431 1 10 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.443 0.581 18717 5432 1 10 . 1 1 56 56 LEU H H 56 7.137 7.137 7.967 -0.830 18717 5433 1 10 . 1 1 57 57 THR N N 57 115.673 115.673 117.295 -1.622 18717 5434 1 10 . 1 1 57 57 THR HA H 57 4.491 4.491 4.649 -0.158 18717 5435 1 10 . 1 1 57 57 THR CA C 57 59.638 59.638 60.147 -0.509 18717 5436 1 10 . 1 1 57 57 THR CB C 57 71.233 71.233 70.875 0.358 18717 5437 1 10 . 1 1 57 57 THR H H 57 8.986 8.986 7.910 1.076 18717 5438 1 10 . 1 1 58 58 ARG N N 58 121.180 121.180 120.732 0.448 18717 5439 1 10 . 1 1 58 58 ARG HA H 58 3.877 3.877 3.962 -0.085 18717 5440 1 10 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.166 -0.348 18717 5441 1 10 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.112 -0.781 18717 5442 1 10 . 1 1 58 58 ARG H H 58 8.783 8.783 8.812 -0.029 18717 5443 1 10 . 1 1 59 59 SER N N 59 113.863 113.863 113.506 0.357 18717 5444 1 10 . 1 1 59 59 SER HA H 59 4.116 4.116 4.218 -0.102 18717 5445 1 10 . 1 1 59 59 SER CA C 59 60.988 60.988 61.499 -0.512 18717 5446 1 10 . 1 1 59 59 SER CB C 59 62.156 62.156 62.760 -0.604 18717 5447 1 10 . 1 1 59 59 SER H H 59 8.198 8.198 8.015 0.183 18717 5448 1 10 . 1 1 60 60 ASP N N 60 122.780 122.780 122.626 0.154 18717 5449 1 10 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.508 -0.456 18717 5450 1 10 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.570 -0.032 18717 5451 1 10 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.880 1.098 18717 5452 1 10 . 1 1 60 60 ASP H H 60 7.623 7.623 8.118 -0.495 18717 5453 1 10 . 1 1 61 61 ARG N N 61 117.219 117.219 119.598 -2.379 18717 5454 1 10 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.122 -0.403 18717 5455 1 10 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.366 0.171 18717 5456 1 10 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.522 -0.918 18717 5457 1 10 . 1 1 61 61 ARG H H 61 7.966 7.966 7.931 0.035 18717 5458 1 10 . 1 1 62 62 GLU N N 62 118.341 118.341 120.508 -2.167 18717 5459 1 10 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.155 -0.213 18717 5460 1 10 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.515 -0.479 18717 5461 1 10 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.979 0.504 18717 5462 1 10 . 1 1 62 62 GLU H H 62 7.556 7.556 8.413 -0.857 18717 5463 1 10 . 1 1 63 63 VAL N N 63 116.650 116.650 117.350 -0.700 18717 5464 1 10 . 1 1 63 63 VAL HA H 63 3.581 3.581 4.076 -0.495 18717 5465 1 10 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.990 -0.373 18717 5466 1 10 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.317 -1.036 18717 5467 1 10 . 1 1 63 63 VAL H H 63 7.398 7.398 7.697 -0.299 18717 5468 1 10 . 1 1 64 64 LEU N N 64 121.502 121.502 121.884 -0.382 18717 5469 1 10 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.162 -0.454 18717 5470 1 10 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.430 -0.563 18717 5471 1 10 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.030 0.906 18717 5472 1 10 . 1 1 64 64 LEU H H 64 7.889 7.889 7.954 -0.065 18717 5473 1 10 . 1 1 65 65 ASP N N 65 119.200 119.200 118.696 0.504 18717 5474 1 10 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.389 0.003 18717 5475 1 10 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.904 -0.641 18717 5476 1 10 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.894 -1.169 18717 5477 1 10 . 1 1 65 65 ASP H H 65 7.846 7.846 8.161 -0.315 18717 5478 1 10 . 1 1 66 66 ASN N N 66 120.252 120.252 118.941 1.311 18717 5479 1 10 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.561 -0.058 18717 5480 1 10 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.274 -0.184 18717 5481 1 10 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.990 -0.971 18717 5482 1 10 . 1 1 66 66 ASN H H 66 7.480 7.480 7.953 -0.473 18717 5483 1 10 . 1 1 67 67 TRP N N 67 122.830 122.830 122.422 0.408 18717 5484 1 10 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.331 0.168 18717 5485 1 10 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.739 -2.452 18717 5486 1 10 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.499 -1.435 18717 5487 1 10 . 1 1 67 67 TRP H H 67 8.730 8.730 8.665 0.065 18717 5488 1 10 . 1 1 68 68 ARG N N 68 120.279 120.279 118.732 1.547 18717 5489 1 10 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.178 1.665 18717 5490 1 10 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.664 -0.487 18717 5491 1 10 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.414 -1.108 18717 5492 1 10 . 1 1 68 68 ARG H H 68 7.976 7.976 7.796 0.180 18717 5493 1 10 . 1 1 69 69 GLU N N 69 121.656 121.656 120.262 1.394 18717 5494 1 10 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.172 0.110 18717 5495 1 10 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.645 0.659 18717 5496 1 10 . 1 1 69 69 GLU CB C 69 29.982 29.982 28.746 1.236 18717 5497 1 10 . 1 1 69 69 GLU H H 69 8.676 8.676 7.481 1.195 18717 5498 1 10 . 1 1 70 70 LEU N N 70 120.066 120.066 120.489 -0.423 18717 5499 1 10 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.285 -0.150 18717 5500 1 10 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.978 0.023 18717 5501 1 10 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.011 0.359 18717 5502 1 10 . 1 1 70 70 LEU H H 70 7.963 7.963 7.591 0.372 18717 5503 1 10 . 1 1 71 71 GLU N N 71 118.326 118.326 119.217 -0.891 18717 5504 1 10 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.933 -0.368 18717 5505 1 10 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.194 0.124 18717 5506 1 10 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.733 0.437 18717 5507 1 10 . 1 1 71 71 GLU H H 71 8.278 8.278 7.637 0.641 18717 5508 1 10 . 1 1 72 72 MET N N 72 117.881 117.881 114.539 3.342 18717 5509 1 10 . 1 1 72 72 MET HA H 72 4.163 4.163 4.561 -0.398 18717 5510 1 10 . 1 1 72 72 MET CA C 72 57.906 57.906 58.022 -0.116 18717 5511 1 10 . 1 1 72 72 MET CB C 72 32.006 32.006 32.898 -0.892 18717 5512 1 10 . 1 1 72 72 MET H H 72 7.966 7.966 7.523 0.443 18717 5513 1 10 . 1 1 73 73 LYS N N 73 119.844 119.844 120.139 -0.295 18717 5514 1 10 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.237 -0.180 18717 5515 1 10 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.799 0.318 18717 5516 1 10 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.345 0.048 18717 5517 1 10 . 1 1 73 73 LYS H H 73 7.959 7.959 7.717 0.242 18717 5518 1 10 . 1 1 74 74 ALA N N 74 120.588 120.588 119.920 0.668 18717 5519 1 10 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.411 -0.394 18717 5520 1 10 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.161 0.949 18717 5521 1 10 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.054 -0.558 18717 5522 1 10 . 1 1 74 74 ALA H H 74 7.504 7.504 7.551 -0.047 18717 5523 1 10 . 1 1 75 75 ARG N N 75 111.895 111.895 116.487 -4.592 18717 5524 1 10 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.886 -0.081 18717 5525 1 10 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.254 0.119 18717 5526 1 10 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.300 -0.904 18717 5527 1 10 . 1 1 75 75 ARG H H 75 7.550 7.550 7.750 -0.200 18717 5528 1 10 . 1 1 76 76 LYS N N 76 114.585 114.585 116.057 -1.472 18717 5529 1 10 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.348 -0.234 18717 5530 1 10 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.514 -0.012 18717 5531 1 10 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.499 -3.223 18717 5532 1 10 . 1 1 76 76 LYS H H 76 7.810 7.810 7.853 -0.043 18717 5533 1 10 . 1 1 77 77 ARG N N 77 119.199 119.199 120.426 -1.227 18717 5534 1 10 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.498 -0.450 18717 5535 1 10 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.251 0.439 18717 5536 1 10 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.578 0.897 18717 5537 1 10 . 1 1 77 77 ARG H H 77 7.916 7.916 8.488 -0.572 18717 5538 1 10 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.076 0.087 18717 5539 1 10 . 1 1 80 80 THR N N 80 110.230 110.230 114.174 -3.944 18717 5540 1 10 . 1 1 80 80 THR HA H 80 4.526 4.526 4.466 0.060 18717 5541 1 10 . 1 1 80 80 THR CA C 80 58.081 58.081 60.436 -2.355 18717 5542 1 10 . 1 1 80 80 THR CB C 80 67.980 67.980 69.815 -1.835 18717 5543 1 10 . 1 1 80 80 THR H H 80 6.530 6.530 7.658 -1.128 18717 5544 1 10 . 1 1 81 81 THR N N 81 114.552 114.552 113.307 1.245 18717 5545 1 10 . 1 1 81 81 THR HA H 81 4.260 4.260 4.453 -0.193 18717 5546 1 10 . 1 1 81 81 THR CA C 81 61.767 61.767 62.489 -0.723 18717 5547 1 10 . 1 1 81 81 THR CB C 81 68.383 68.383 69.567 -1.184 18717 5548 1 10 . 1 1 81 81 THR H H 81 7.674 7.674 8.127 -0.453 18717 5549 1 10 . 1 1 82 82 LEU N N 82 127.155 127.155 125.222 1.933 18717 5550 1 10 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.159 -0.167 18717 5551 1 10 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.761 -1.047 18717 5552 1 10 . 1 1 82 82 LEU CB C 82 39.378 39.378 41.085 -1.707 18717 5553 1 10 . 1 1 82 82 LEU H H 82 8.465 8.465 7.749 0.716 18717 5554 1 10 . 1 1 83 83 PHE N N 83 113.552 113.552 117.542 -3.990 18717 5555 1 10 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.759 0.163 18717 5556 1 10 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.329 -0.665 18717 5557 1 10 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.047 1.002 18717 5558 1 10 . 1 1 83 83 PHE H H 83 6.370 6.370 7.092 -0.722 18717 5559 1 10 . 1 1 84 84 PHE N N 84 116.628 116.628 115.609 1.019 18717 5560 1 10 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.537 -0.262 18717 5561 1 10 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.328 -0.977 18717 5562 1 10 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.694 1.129 18717 5563 1 10 . 1 1 84 84 PHE H H 84 9.579 9.579 8.103 1.476 18717 5564 1 10 . 1 1 85 85 ILE N N 85 113.827 113.827 114.705 -0.878 18717 5565 1 10 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.194 -0.052 18717 5566 1 10 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.418 -0.132 18717 5567 1 10 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.553 -0.266 18717 5568 1 10 . 1 1 85 85 ILE H H 85 9.410 9.410 8.725 0.685 18717 5569 1 10 . 1 1 86 86 GLU N N 86 124.724 124.724 125.081 -0.357 18717 5570 1 10 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.002 -0.377 18717 5571 1 10 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.521 0.195 18717 5572 1 10 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.609 -0.599 18717 5573 1 10 . 1 1 86 86 GLU H H 86 9.957 9.957 8.716 1.241 18717 5574 1 10 . 1 1 87 87 THR N N 87 106.336 106.336 111.451 -5.115 18717 5575 1 10 . 1 1 87 87 THR HA H 87 3.695 3.695 4.142 -0.447 18717 5576 1 10 . 1 1 87 87 THR CA C 87 63.680 63.680 64.706 -1.026 18717 5577 1 10 . 1 1 87 87 THR CB C 87 67.530 67.530 68.179 -0.649 18717 5578 1 10 . 1 1 87 87 THR H H 87 7.659 7.659 7.946 -0.287 18717 5579 1 10 . 1 1 88 88 ASP N N 88 119.814 119.814 119.728 0.086 18717 5580 1 10 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.627 -0.413 18717 5581 1 10 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.087 1.411 18717 5582 1 10 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.799 -0.718 18717 5583 1 10 . 1 1 88 88 ASP H H 88 7.605 7.605 8.367 -0.762 18717 5584 1 10 . 1 1 89 89 ILE N N 89 113.246 113.246 118.668 -5.422 18717 5585 1 10 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.218 -0.404 18717 5586 1 10 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.117 -2.610 18717 5587 1 10 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.629 -1.829 18717 5588 1 10 . 1 1 89 89 ILE H H 89 6.538 6.538 7.146 -0.608 18717 5589 1 10 . 1 1 90 90 ARG N N 90 119.499 119.499 122.931 -3.432 18717 5590 1 10 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.110 -0.494 18717 5591 1 10 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.374 0.691 18717 5592 1 10 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.523 0.370 18717 5593 1 10 . 1 1 90 90 ARG H H 90 7.721 7.721 8.512 -0.791 18717 5594 1 10 . 1 1 92 92 MET N N 92 113.492 113.492 116.579 -3.087 18717 5595 1 10 . 1 1 92 92 MET HA H 92 4.175 4.175 4.424 -0.249 18717 5596 1 10 . 1 1 92 92 MET CA C 92 55.799 55.799 56.315 -0.516 18717 5597 1 10 . 1 1 92 92 MET CB C 92 33.950 33.950 34.181 -0.231 18717 5598 1 10 . 1 1 92 92 MET H H 92 7.549 7.549 7.738 -0.189 18717 5599 1 10 . 1 1 93 93 LEU N N 93 117.943 117.943 119.063 -1.120 18717 5600 1 10 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.108 0.326 18717 5601 1 10 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.406 -3.551 18717 5602 1 10 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.293 0.566 18717 5603 1 10 . 1 1 93 93 LEU H H 93 7.297 7.297 7.735 -0.438 18717 5604 1 10 . 1 1 94 94 GLN N N 94 121.536 121.536 116.504 5.032 18717 5605 1 10 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.376 -0.208 18717 5606 1 10 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.263 0.828 18717 5607 1 10 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.626 -2.463 18717 5608 1 10 . 1 1 94 94 GLN H H 94 8.675 8.675 8.120 0.555 18717 5609 1 10 . 1 1 95 95 ASP N N 95 123.380 123.380 126.424 -3.044 18717 5610 1 10 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.397 -0.513 18717 5611 1 10 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.865 1.628 18717 5612 1 10 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.834 -0.654 18717 5613 1 10 . 1 1 95 95 ASP H H 95 8.804 8.804 8.836 -0.032 18717 5614 1 10 . 1 1 96 96 ARG N N 96 115.337 115.337 118.324 -2.987 18717 5615 1 10 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.309 -0.220 18717 5616 1 10 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.893 0.914 18717 5617 1 10 . 1 1 96 96 ARG CB C 96 29.431 29.431 28.941 0.490 18717 5618 1 10 . 1 1 96 96 ARG H H 96 8.652 8.652 8.215 0.437 18717 5619 1 10 . 1 1 97 97 LEU N N 97 118.485 118.485 119.378 -0.893 18717 5620 1 10 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.259 0.131 18717 5621 1 10 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.212 -0.801 18717 5622 1 10 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.163 1.931 18717 5623 1 10 . 1 1 97 97 LEU H H 97 7.776 7.776 7.378 0.398 18717 5624 1 10 . 1 1 98 98 ARG N N 98 119.863 119.863 116.636 3.227 18717 5625 1 10 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.082 -0.173 18717 5626 1 10 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.438 5.853 18717 5627 1 10 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.574 -0.749 18717 5628 1 10 . 1 1 98 98 ARG H H 98 7.553 7.553 7.404 0.149 18717 5629 1 10 . 1 1 100 100 SER N N 100 111.387 111.387 115.763 -4.376 18717 5630 1 10 . 1 1 100 100 SER HA H 100 4.360 4.360 4.497 -0.137 18717 5631 1 10 . 1 1 100 100 SER CA C 100 59.923 59.923 59.200 0.723 18717 5632 1 10 . 1 1 100 100 SER CB C 100 63.304 63.304 64.374 -1.070 18717 5633 1 10 . 1 1 100 100 SER H H 100 7.616 7.616 8.542 -0.926 18717 5634 1 10 . 1 1 101 101 PHE N N 101 123.367 123.367 122.436 0.931 18717 5635 1 10 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.079 -0.372 18717 5636 1 10 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.469 1.247 18717 5637 1 10 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.739 -0.094 18717 5638 1 10 . 1 1 101 101 PHE H H 101 7.722 7.722 8.406 -0.684 18717 5639 1 10 . 1 1 102 102 ALA N N 102 117.466 117.466 117.998 -0.532 18717 5640 1 10 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.168 -0.292 18717 5641 1 10 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.532 0.006 18717 5642 1 10 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.458 -0.328 18717 5643 1 10 . 1 1 102 102 ALA H H 102 8.525 8.525 8.739 -0.214 18717 5644 1 10 . 1 1 103 103 LYS N N 103 115.077 115.077 116.625 -1.548 18717 5645 1 10 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.388 -0.323 18717 5646 1 10 . 1 1 103 103 LYS CA C 103 56.736 56.736 56.910 -0.174 18717 5647 1 10 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.078 -1.031 18717 5648 1 10 . 1 1 103 103 LYS H H 103 7.000 7.000 7.884 -0.884 18717 5649 1 10 . 1 1 104 104 ALA N N 104 119.948 119.948 120.781 -0.833 18717 5650 1 10 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.264 -0.456 18717 5651 1 10 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.376 0.623 18717 5652 1 10 . 1 1 104 104 ALA CB C 104 17.915 17.915 19.004 -1.089 18717 5653 1 10 . 1 1 104 104 ALA H H 104 7.955 7.955 7.622 0.333 18717 5654 1 10 . 1 1 105 105 ILE N N 105 116.011 116.011 120.132 -4.121 18717 5655 1 10 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.913 -0.464 18717 5656 1 10 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.268 -1.069 18717 5657 1 10 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.176 -2.179 18717 5658 1 10 . 1 1 105 105 ILE H H 105 7.030 7.030 8.408 -1.378 18717 5659 1 10 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.502 -0.469 18717 5660 1 10 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.870 0.052 18717 5661 1 10 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.964 -0.001 18717 5662 1 10 . 1 1 107 107 CYS N N 107 115.533 115.533 116.331 -0.798 18717 5663 1 10 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.408 -0.534 18717 5664 1 10 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.138 0.799 18717 5665 1 10 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.417 0.487 18717 5666 1 10 . 1 1 107 107 CYS H H 107 6.558 6.558 7.793 -1.235 18717 5667 1 10 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.413 -0.560 18717 5668 1 10 . 1 1 109 109 ARG N N 109 120.576 120.576 118.620 1.956 18717 5669 1 10 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.256 0.136 18717 5670 1 10 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.583 -0.122 18717 5671 1 10 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.591 0.676 18717 5672 1 10 . 1 1 109 109 ARG H H 109 8.507 8.507 8.082 0.425 18717 5673 1 10 . 1 1 110 110 HIS N N 110 122.218 122.218 121.842 0.376 18717 5674 1 10 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.360 -0.274 18717 5675 1 10 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.131 1.627 18717 5676 1 10 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.739 1.156 18717 5677 1 10 . 1 1 110 110 HIS H H 110 7.998 7.998 8.407 -0.409 18717 5678 1 10 . 1 1 111 111 ILE N N 111 105.612 105.612 111.367 -5.755 18717 5679 1 10 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.360 -0.030 18717 5680 1 10 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.343 -0.750 18717 5681 1 10 . 1 1 111 111 ILE CB C 111 36.950 36.950 39.097 -2.147 18717 5682 1 10 . 1 1 111 111 ILE H H 111 6.904 6.904 7.357 -0.454 18717 5683 1 10 . 1 1 112 112 ARG N N 112 114.782 114.782 117.441 -2.659 18717 5684 1 10 . 1 1 112 112 ARG HA H 112 3.901 3.901 3.982 -0.081 18717 5685 1 10 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.035 0.279 18717 5686 1 10 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.973 -0.733 18717 5687 1 10 . 1 1 112 112 ARG H H 112 7.660 7.660 8.002 -0.342 18717 5688 1 10 . 1 1 113 113 ARG N N 113 114.996 114.996 117.861 -2.865 18717 5689 1 10 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.469 -0.219 18717 5690 1 10 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.262 -0.608 18717 5691 1 10 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.943 0.179 18717 5692 1 10 . 1 1 113 113 ARG H H 113 8.149 8.149 7.913 0.236 18717 5693 1 10 . 1 1 114 114 ILE N N 114 112.019 112.019 110.964 1.055 18717 5694 1 10 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.803 0.071 18717 5695 1 10 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.554 -2.952 18717 5696 1 10 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.480 0.920 18717 5697 1 10 . 1 1 114 114 ILE H H 114 6.810 6.810 7.300 -0.490 18717 5698 1 10 . 1 1 115 115 ARG N N 115 122.894 122.894 118.269 4.625 18717 5699 1 10 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.618 -0.261 18717 5700 1 10 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.181 -0.069 18717 5701 1 10 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.684 -1.627 18717 5702 1 10 . 1 1 115 115 ARG H H 115 8.822 8.822 8.181 0.641 18717 5703 1 10 . 1 1 116 116 GLU N N 116 118.962 118.962 118.796 0.166 18717 5704 1 10 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.787 0.528 18717 5705 1 10 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.695 -1.593 18717 5706 1 10 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.800 3.134 18717 5707 1 10 . 1 1 116 116 GLU H H 116 8.329 8.329 8.389 -0.060 18717 5708 1 10 . 1 1 117 117 GLU N N 117 124.627 124.627 124.619 0.008 18717 5709 1 10 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.705 -0.174 18717 5710 1 10 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.145 -0.033 18717 5711 1 10 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.167 1.166 18717 5712 1 10 . 1 1 117 117 GLU H H 117 9.028 9.028 8.718 0.310 18717 5713 1 10 . 1 1 118 118 ARG N N 118 127.916 127.916 126.604 1.312 18717 5714 1 10 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.347 0.265 18717 5715 1 10 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.912 -0.119 18717 5716 1 10 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.252 0.889 18717 5717 1 10 . 1 1 118 118 ARG H H 118 8.952 8.952 8.628 0.324 18717 5718 1 10 . 1 1 119 119 CYS N N 119 126.785 126.785 126.384 0.401 18717 5719 1 10 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.614 0.044 18717 5720 1 10 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.349 -1.901 18717 5721 1 10 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.659 1.533 18717 5722 1 10 . 1 1 119 119 CYS H H 119 8.831 8.831 8.232 0.599 18717 5723 1 10 . 1 1 120 120 GLY N N 120 117.456 117.456 115.039 2.417 18717 5724 1 10 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.413 -0.901 18717 5725 1 10 . 1 1 120 120 GLY H H 120 8.873 8.873 8.309 0.564 18717 5726 1 10 . 1 1 122 122 LEU N N 122 121.777 121.777 119.198 2.579 18717 5727 1 10 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.515 -0.077 18717 5728 1 10 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.763 -0.154 18717 5729 1 10 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.291 0.688 18717 5730 1 10 . 1 1 122 122 LEU H H 122 7.270 7.270 7.328 -0.058 18717 5731 1 10 . 1 1 123 123 THR N N 123 118.668 118.668 114.494 4.174 18717 5732 1 10 . 1 1 123 123 THR HA H 123 4.407 4.407 4.685 -0.278 18717 5733 1 10 . 1 1 123 123 THR CA C 123 61.769 61.769 61.614 0.155 18717 5734 1 10 . 1 1 123 123 THR CB C 123 69.263 69.263 70.544 -1.281 18717 5735 1 10 . 1 1 123 123 THR H H 123 7.649 7.649 7.982 -0.333 18717 5736 1 10 . 1 1 124 124 PHE N N 124 125.265 125.265 123.963 1.302 18717 5737 1 10 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.528 -1.257 18717 5738 1 10 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.252 1.335 18717 5739 1 10 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.511 0.517 18717 5740 1 10 . 1 1 124 124 PHE H H 124 8.553 8.553 8.693 -0.140 18717 5741 1 10 . 1 1 125 125 TYR N N 125 118.544 118.544 115.567 2.977 18717 5742 1 10 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.870 0.416 18717 5743 1 10 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.828 -1.078 18717 5744 1 10 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.720 -0.602 18717 5745 1 10 . 1 1 125 125 TYR H H 125 8.616 8.616 8.242 0.374 18717 5746 1 10 . 1 1 126 126 TYR N N 126 115.848 115.848 118.331 -2.483 18717 5747 1 10 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.487 -0.227 18717 5748 1 10 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.916 1.012 18717 5749 1 10 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.586 -1.644 18717 5750 1 10 . 1 1 126 126 TYR H H 126 8.357 8.357 7.866 0.491 18717 5751 1 10 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.417 0.205 18717 5752 1 10 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.948 -0.019 18717 5753 1 10 . 1 1 128 128 GLY N N 128 108.039 108.039 113.982 -5.943 18717 5754 1 10 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.580 -0.873 18717 5755 1 10 . 1 1 128 128 GLY H H 128 7.730 7.730 7.829 -0.099 18717 5756 1 10 . 1 1 129 129 SER N N 129 114.228 114.228 116.605 -2.377 18717 5757 1 10 . 1 1 129 129 SER HA H 129 4.438 4.438 4.811 -0.373 18717 5758 1 10 . 1 1 129 129 SER CA C 129 57.566 57.566 57.430 0.136 18717 5759 1 10 . 1 1 129 129 SER CB C 129 63.772 63.772 64.124 -0.352 18717 5760 1 10 . 1 1 129 129 SER H H 129 8.102 8.102 8.330 -0.228 18717 5761 1 11 . 1 1 3 3 ASP N N 3 120.763 120.763 122.163 -1.400 18717 5762 1 11 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.862 -0.375 18717 5763 1 11 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.536 0.595 18717 5764 1 11 . 1 1 3 3 ASP CB C 3 40.887 40.887 42.035 -1.148 18717 5765 1 11 . 1 1 3 3 ASP H H 3 8.327 8.327 8.492 -0.165 18717 5766 1 11 . 1 1 4 4 ILE N N 4 121.147 121.147 119.337 1.810 18717 5767 1 11 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.528 -0.483 18717 5768 1 11 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.967 1.756 18717 5769 1 11 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.334 -1.874 18717 5770 1 11 . 1 1 4 4 ILE H H 4 7.971 7.971 8.196 -0.225 18717 5771 1 11 . 1 1 5 5 ARG N N 5 123.685 123.685 122.495 1.190 18717 5772 1 11 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.180 0.291 18717 5773 1 11 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.116 -2.697 18717 5774 1 11 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.773 -0.631 18717 5775 1 11 . 1 1 5 5 ARG H H 5 8.067 8.067 8.254 -0.187 18717 5776 1 11 . 1 1 6 6 ILE N N 6 124.881 124.881 116.373 8.508 18717 5777 1 11 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.346 -0.563 18717 5778 1 11 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.131 2.310 18717 5779 1 11 . 1 1 6 6 ILE CB C 6 38.184 38.184 40.309 -2.125 18717 5780 1 11 . 1 1 6 6 ILE H H 6 9.083 9.083 8.719 0.364 18717 5781 1 11 . 1 1 7 7 VAL N N 7 120.527 120.527 114.930 5.597 18717 5782 1 11 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.617 -0.526 18717 5783 1 11 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.482 0.183 18717 5784 1 11 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.486 -1.794 18717 5785 1 11 . 1 1 7 7 VAL H H 7 9.067 9.067 8.180 0.887 18717 5786 1 11 . 1 1 9 9 GLN N N 9 120.479 120.479 117.905 2.574 18717 5787 1 11 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.329 -0.469 18717 5788 1 11 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.674 0.225 18717 5789 1 11 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.179 0.643 18717 5790 1 11 . 1 1 9 9 GLN H H 9 8.305 8.305 8.228 0.077 18717 5791 1 11 . 1 1 10 10 ILE N N 10 125.746 125.746 118.336 7.410 18717 5792 1 11 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.531 -0.481 18717 5793 1 11 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.986 0.301 18717 5794 1 11 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.165 -2.015 18717 5795 1 11 . 1 1 10 10 ILE H H 10 10.040 10.040 8.250 1.790 18717 5796 1 11 . 1 1 11 11 THR HA H 11 4.459 4.459 4.516 -0.057 18717 5797 1 11 . 1 1 11 11 THR CA C 11 60.124 60.124 59.893 0.231 18717 5798 1 11 . 1 1 11 11 THR CB C 11 71.036 71.036 69.825 1.211 18717 5799 1 11 . 1 1 12 12 ASP N N 12 121.634 121.634 120.684 0.950 18717 5800 1 11 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.507 -0.274 18717 5801 1 11 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.571 0.220 18717 5802 1 11 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.704 0.141 18717 5803 1 11 . 1 1 12 12 ASP H H 12 8.892 8.892 8.756 0.136 18717 5804 1 11 . 1 1 13 13 GLU N N 13 117.207 117.207 118.707 -1.500 18717 5805 1 11 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.220 -0.371 18717 5806 1 11 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.397 1.286 18717 5807 1 11 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.648 -0.493 18717 5808 1 11 . 1 1 13 13 GLU H H 13 8.421 8.421 8.746 -0.325 18717 5809 1 11 . 1 1 14 14 GLU N N 14 118.579 118.579 118.463 0.116 18717 5810 1 11 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.341 -0.364 18717 5811 1 11 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.090 1.403 18717 5812 1 11 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.236 1.179 18717 5813 1 11 . 1 1 14 14 GLU H H 14 7.647 7.647 7.760 -0.113 18717 5814 1 11 . 1 1 15 15 PHE N N 15 122.867 122.867 122.196 0.671 18717 5815 1 11 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.397 -0.552 18717 5816 1 11 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.831 0.175 18717 5817 1 11 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.684 0.173 18717 5818 1 11 . 1 1 15 15 PHE H H 15 8.823 8.823 8.871 -0.048 18717 5819 1 11 . 1 1 16 16 LYS N N 16 115.192 115.192 115.812 -0.620 18717 5820 1 11 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.074 -0.111 18717 5821 1 11 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.960 0.126 18717 5822 1 11 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.615 0.993 18717 5823 1 11 . 1 1 16 16 LYS H H 16 7.742 7.742 7.753 -0.011 18717 5824 1 11 . 1 1 17 17 THR N N 17 108.709 108.709 111.745 -3.036 18717 5825 1 11 . 1 1 17 17 THR HA H 17 4.269 4.269 4.267 0.002 18717 5826 1 11 . 1 1 17 17 THR CA C 17 61.767 61.767 63.328 -1.561 18717 5827 1 11 . 1 1 17 17 THR CB C 17 69.956 69.956 69.201 0.755 18717 5828 1 11 . 1 1 17 17 THR H H 17 7.518 7.518 7.375 0.143 18717 5829 1 11 . 1 1 18 18 ILE N N 18 124.707 124.707 123.957 0.750 18717 5830 1 11 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.376 -0.764 18717 5831 1 11 . 1 1 18 18 ILE CA C 18 59.401 59.401 58.008 1.393 18717 5832 1 11 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.511 -1.228 18717 5833 1 11 . 1 1 18 18 ILE H H 18 7.063 7.063 7.210 -0.147 18717 5834 1 11 . 1 1 20 20 LYS N N 20 124.646 124.646 121.021 3.625 18717 5835 1 11 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.941 -0.232 18717 5836 1 11 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.876 0.304 18717 5837 1 11 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.541 -0.102 18717 5838 1 11 . 1 1 20 20 LYS H H 20 8.639 8.639 8.834 -0.195 18717 5839 1 11 . 1 1 21 21 TYR N N 21 115.093 115.093 117.888 -2.795 18717 5840 1 11 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.279 0.035 18717 5841 1 11 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.175 -1.261 18717 5842 1 11 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.735 -1.558 18717 5843 1 11 . 1 1 21 21 TYR H H 21 7.897 7.897 8.196 -0.299 18717 5844 1 11 . 1 1 22 22 GLN N N 22 119.745 119.745 116.899 2.846 18717 5845 1 11 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.317 -0.391 18717 5846 1 11 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.584 0.021 18717 5847 1 11 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.707 -0.242 18717 5848 1 11 . 1 1 22 22 GLN H H 22 6.759 6.759 7.875 -1.116 18717 5849 1 11 . 1 1 23 23 LEU N N 23 118.619 118.619 118.129 0.490 18717 5850 1 11 . 1 1 23 23 LEU HA H 23 3.852 3.852 3.981 -0.129 18717 5851 1 11 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.843 -0.274 18717 5852 1 11 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.261 1.329 18717 5853 1 11 . 1 1 23 23 LEU H H 23 7.115 7.115 7.658 -0.543 18717 5854 1 11 . 1 1 24 24 GLY N N 24 103.606 103.606 106.543 -2.937 18717 5855 1 11 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.635 0.288 18717 5856 1 11 . 1 1 24 24 GLY H H 24 7.541 7.541 8.392 -0.851 18717 5857 1 11 . 1 1 25 25 ARG N N 25 126.033 126.033 122.316 3.717 18717 5858 1 11 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.578 -0.298 18717 5859 1 11 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.092 0.281 18717 5860 1 11 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.677 -0.731 18717 5861 1 11 . 1 1 25 25 ARG H H 25 8.850 8.850 8.126 0.724 18717 5862 1 11 . 1 1 26 26 LEU N N 26 121.287 121.287 120.823 0.464 18717 5863 1 11 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.440 -0.182 18717 5864 1 11 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.627 1.969 18717 5865 1 11 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.138 -1.393 18717 5866 1 11 . 1 1 26 26 LEU H H 26 8.017 8.017 7.452 0.565 18717 5867 1 11 . 1 1 27 27 THR N N 27 110.943 110.943 113.284 -2.341 18717 5868 1 11 . 1 1 27 27 THR HA H 27 4.626 4.626 4.567 0.059 18717 5869 1 11 . 1 1 27 27 THR CA C 27 58.272 58.272 60.329 -2.057 18717 5870 1 11 . 1 1 27 27 THR H H 27 7.129 7.129 7.874 -0.745 18717 5871 1 11 . 1 1 28 28 LEU N N 28 124.601 124.601 123.102 1.499 18717 5872 1 11 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.434 -0.207 18717 5873 1 11 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.158 -1.324 18717 5874 1 11 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.549 -1.637 18717 5875 1 11 . 1 1 28 28 LEU H H 28 8.404 8.404 8.071 0.333 18717 5876 1 11 . 1 1 29 29 GLU N N 29 117.021 117.021 118.304 -1.283 18717 5877 1 11 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.808 0.078 18717 5878 1 11 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.606 0.361 18717 5879 1 11 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.346 -0.533 18717 5880 1 11 . 1 1 29 29 GLU H H 29 8.361 8.361 8.721 -0.360 18717 5881 1 11 . 1 1 30 30 MET N N 30 119.159 119.159 117.869 1.290 18717 5882 1 11 . 1 1 30 30 MET HA H 30 3.999 3.999 4.318 -0.319 18717 5883 1 11 . 1 1 30 30 MET CA C 30 58.946 58.946 58.875 0.071 18717 5884 1 11 . 1 1 30 30 MET CB C 30 31.941 31.941 32.664 -0.723 18717 5885 1 11 . 1 1 30 30 MET H H 30 7.541 7.541 7.393 0.148 18717 5886 1 11 . 1 1 31 31 MET N N 31 117.316 117.316 118.095 -0.779 18717 5887 1 11 . 1 1 31 31 MET HA H 31 3.833 3.833 4.045 -0.212 18717 5888 1 11 . 1 1 31 31 MET CA C 31 58.966 58.966 59.134 -0.168 18717 5889 1 11 . 1 1 31 31 MET CB C 31 32.253 32.253 32.360 -0.107 18717 5890 1 11 . 1 1 31 31 MET H H 31 8.310 8.310 8.096 0.214 18717 5891 1 11 . 1 1 32 32 ASN N N 32 116.639 116.639 119.047 -2.408 18717 5892 1 11 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.395 0.563 18717 5893 1 11 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.916 -2.641 18717 5894 1 11 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.526 -1.611 18717 5895 1 11 . 1 1 32 32 ASN H H 32 8.728 8.728 8.656 0.072 18717 5896 1 11 . 1 1 33 33 GLU N N 33 125.338 125.338 119.094 6.244 18717 5897 1 11 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.172 0.014 18717 5898 1 11 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.734 0.777 18717 5899 1 11 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.394 -0.166 18717 5900 1 11 . 1 1 33 33 GLU H H 33 7.918 7.918 7.916 0.002 18717 5901 1 11 . 1 1 34 34 ILE N N 34 119.962 119.962 121.703 -1.741 18717 5902 1 11 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.584 -0.113 18717 5903 1 11 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.426 0.368 18717 5904 1 11 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.918 0.004 18717 5905 1 11 . 1 1 34 34 ILE H H 34 7.576 7.576 7.377 0.199 18717 5906 1 11 . 1 1 35 35 VAL N N 35 119.021 119.021 117.966 1.055 18717 5907 1 11 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.777 -0.202 18717 5908 1 11 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.518 0.627 18717 5909 1 11 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.453 0.046 18717 5910 1 11 . 1 1 35 35 VAL H H 35 8.657 8.657 8.476 0.181 18717 5911 1 11 . 1 1 36 36 SER N N 36 114.977 114.977 115.851 -0.874 18717 5912 1 11 . 1 1 36 36 SER HA H 36 4.171 4.171 4.170 0.001 18717 5913 1 11 . 1 1 36 36 SER CA C 36 61.604 61.604 61.476 0.128 18717 5914 1 11 . 1 1 36 36 SER CB C 36 62.415 62.415 63.250 -0.835 18717 5915 1 11 . 1 1 36 36 SER H H 36 8.175 8.175 7.691 0.484 18717 5916 1 11 . 1 1 37 37 LYS N N 37 119.000 119.000 121.872 -2.872 18717 5917 1 11 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.041 0.136 18717 5918 1 11 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.558 -1.403 18717 5919 1 11 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.277 -1.897 18717 5920 1 11 . 1 1 37 37 LYS H H 37 7.283 7.283 7.967 -0.684 18717 5921 1 11 . 1 1 38 38 MET N N 38 119.061 119.061 116.054 3.007 18717 5922 1 11 . 1 1 38 38 MET HA H 38 3.430 3.430 3.724 -0.294 18717 5923 1 11 . 1 1 38 38 MET CA C 38 59.676 59.676 59.580 0.096 18717 5924 1 11 . 1 1 38 38 MET CB C 38 31.961 31.961 31.900 0.061 18717 5925 1 11 . 1 1 38 38 MET H H 38 7.740 7.740 7.850 -0.110 18717 5926 1 11 . 1 1 39 39 ASP N N 39 118.445 118.445 118.941 -0.496 18717 5927 1 11 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.473 -0.383 18717 5928 1 11 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.222 1.551 18717 5929 1 11 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.677 2.465 18717 5930 1 11 . 1 1 39 39 ASP H H 39 8.603 8.603 8.006 0.597 18717 5931 1 11 . 1 1 40 40 ASP N N 40 117.427 117.427 120.123 -2.696 18717 5932 1 11 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.429 -0.240 18717 5933 1 11 . 1 1 40 40 ASP CA C 40 57.327 57.327 56.905 0.422 18717 5934 1 11 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.846 0.195 18717 5935 1 11 . 1 1 40 40 ASP H H 40 8.397 8.397 7.594 0.803 18717 5936 1 11 . 1 1 41 41 PHE N N 41 119.507 119.507 121.888 -2.381 18717 5937 1 11 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.233 -0.262 18717 5938 1 11 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.622 2.540 18717 5939 1 11 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.995 0.503 18717 5940 1 11 . 1 1 41 41 PHE H H 41 8.248 8.248 7.975 0.273 18717 5941 1 11 . 1 1 42 42 LEU N N 42 118.072 118.072 119.841 -1.769 18717 5942 1 11 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.943 -0.218 18717 5943 1 11 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.188 -0.021 18717 5944 1 11 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.077 0.572 18717 5945 1 11 . 1 1 42 42 LEU H H 42 8.203 8.203 8.068 0.135 18717 5946 1 11 . 1 1 43 43 MET N N 43 121.878 121.878 119.494 2.384 18717 5947 1 11 . 1 1 43 43 MET HA H 43 4.063 4.063 4.279 -0.216 18717 5948 1 11 . 1 1 43 43 MET CA C 43 57.664 57.664 57.524 0.140 18717 5949 1 11 . 1 1 43 43 MET CB C 43 30.833 30.833 32.363 -1.530 18717 5950 1 11 . 1 1 43 43 MET H H 43 9.073 9.073 8.177 0.896 18717 5951 1 11 . 1 1 44 44 LYS N N 44 122.276 122.276 118.377 3.899 18717 5952 1 11 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.039 -0.174 18717 5953 1 11 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.299 0.185 18717 5954 1 11 . 1 1 44 44 LYS CB C 44 31.525 31.525 31.854 -0.329 18717 5955 1 11 . 1 1 44 44 LYS H H 44 7.678 7.678 7.896 -0.218 18717 5956 1 11 . 1 1 46 46 SER N N 46 113.504 113.504 113.453 0.051 18717 5957 1 11 . 1 1 46 46 SER HA H 46 3.744 3.744 4.125 -0.381 18717 5958 1 11 . 1 1 46 46 SER CA C 46 61.358 61.358 61.097 0.261 18717 5959 1 11 . 1 1 46 46 SER CB C 46 62.674 62.674 62.908 -0.234 18717 5960 1 11 . 1 1 46 46 SER H H 46 8.467 8.467 7.848 0.619 18717 5961 1 11 . 1 1 47 47 LYS N N 47 120.235 120.235 120.787 -0.552 18717 5962 1 11 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.137 -0.182 18717 5963 1 11 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.397 0.417 18717 5964 1 11 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.605 0.408 18717 5965 1 11 . 1 1 47 47 LYS H H 47 7.659 7.659 7.472 0.187 18717 5966 1 11 . 1 1 48 48 ILE N N 48 120.699 120.699 118.596 2.103 18717 5967 1 11 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.859 -0.394 18717 5968 1 11 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.951 2.141 18717 5969 1 11 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.402 -0.455 18717 5970 1 11 . 1 1 48 48 ILE H H 48 7.803 7.803 7.328 0.475 18717 5971 1 11 . 1 1 49 49 LEU N N 49 118.686 118.686 118.501 0.185 18717 5972 1 11 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.048 0.017 18717 5973 1 11 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.162 0.952 18717 5974 1 11 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.509 0.084 18717 5975 1 11 . 1 1 49 49 LEU H H 49 8.671 8.671 7.476 1.195 18717 5976 1 11 . 1 1 50 50 GLY N N 50 103.264 103.264 105.405 -2.141 18717 5977 1 11 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.675 -0.129 18717 5978 1 11 . 1 1 50 50 GLY H H 50 7.422 7.422 7.478 -0.056 18717 5979 1 11 . 1 1 51 51 LYS N N 51 121.616 121.616 120.381 1.235 18717 5980 1 11 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.391 -0.121 18717 5981 1 11 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.452 0.876 18717 5982 1 11 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.980 1.196 18717 5983 1 11 . 1 1 51 51 LYS H H 51 7.227 7.227 7.666 -0.439 18717 5984 1 11 . 1 1 52 52 THR N N 52 112.472 112.472 111.007 1.465 18717 5985 1 11 . 1 1 52 52 THR HA H 52 4.363 4.363 4.457 -0.094 18717 5986 1 11 . 1 1 52 52 THR CA C 52 60.280 60.280 60.257 0.023 18717 5987 1 11 . 1 1 52 52 THR CB C 52 69.989 69.989 71.216 -1.227 18717 5988 1 11 . 1 1 52 52 THR H H 52 8.298 8.298 7.801 0.497 18717 5989 1 11 . 1 1 53 53 ASN N N 53 118.660 118.660 117.598 1.062 18717 5990 1 11 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.677 -0.414 18717 5991 1 11 . 1 1 53 53 ASN CA C 53 56.566 56.566 54.581 1.985 18717 5992 1 11 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.263 -0.073 18717 5993 1 11 . 1 1 53 53 ASN H H 53 8.739 8.739 8.749 -0.010 18717 5994 1 11 . 1 1 54 54 LYS N N 54 116.241 116.241 117.884 -1.643 18717 5995 1 11 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.250 -0.166 18717 5996 1 11 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.747 -0.196 18717 5997 1 11 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.845 -0.467 18717 5998 1 11 . 1 1 54 54 LYS H H 54 7.949 7.949 7.992 -0.043 18717 5999 1 11 . 1 1 55 55 GLN N N 55 116.389 116.389 116.892 -0.503 18717 6000 1 11 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.292 -0.109 18717 6001 1 11 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.917 -0.296 18717 6002 1 11 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.149 0.374 18717 6003 1 11 . 1 1 55 55 GLN H H 55 7.492 7.492 7.787 -0.295 18717 6004 1 11 . 1 1 56 56 LEU N N 56 120.014 120.014 121.051 -1.037 18717 6005 1 11 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.315 0.132 18717 6006 1 11 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.562 -0.237 18717 6007 1 11 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.430 0.594 18717 6008 1 11 . 1 1 56 56 LEU H H 56 7.137 7.137 7.589 -0.452 18717 6009 1 11 . 1 1 57 57 THR N N 57 115.673 115.673 117.512 -1.839 18717 6010 1 11 . 1 1 57 57 THR HA H 57 4.491 4.491 4.725 -0.234 18717 6011 1 11 . 1 1 57 57 THR CA C 57 59.638 59.638 60.045 -0.407 18717 6012 1 11 . 1 1 57 57 THR CB C 57 71.233 71.233 71.707 -0.474 18717 6013 1 11 . 1 1 57 57 THR H H 57 8.986 8.986 7.894 1.092 18717 6014 1 11 . 1 1 58 58 ARG N N 58 121.180 121.180 119.126 2.054 18717 6015 1 11 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.060 -0.183 18717 6016 1 11 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.952 -0.135 18717 6017 1 11 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.784 -0.453 18717 6018 1 11 . 1 1 58 58 ARG H H 58 8.783 8.783 8.733 0.050 18717 6019 1 11 . 1 1 59 59 SER N N 59 113.863 113.863 114.801 -0.938 18717 6020 1 11 . 1 1 59 59 SER HA H 59 4.116 4.116 4.276 -0.160 18717 6021 1 11 . 1 1 59 59 SER CA C 59 60.988 60.988 60.899 0.089 18717 6022 1 11 . 1 1 59 59 SER CB C 59 62.156 62.156 62.782 -0.626 18717 6023 1 11 . 1 1 59 59 SER H H 59 8.198 8.198 8.265 -0.067 18717 6024 1 11 . 1 1 60 60 ASP N N 60 122.780 122.780 121.804 0.976 18717 6025 1 11 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.566 -0.514 18717 6026 1 11 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.915 -0.377 18717 6027 1 11 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.408 1.570 18717 6028 1 11 . 1 1 60 60 ASP H H 60 7.623 7.623 7.625 -0.002 18717 6029 1 11 . 1 1 61 61 ARG N N 61 117.219 117.219 119.981 -2.762 18717 6030 1 11 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.249 -0.530 18717 6031 1 11 . 1 1 61 61 ARG CA C 61 59.537 59.537 58.599 0.938 18717 6032 1 11 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.368 -0.764 18717 6033 1 11 . 1 1 61 61 ARG H H 61 7.966 7.966 7.718 0.248 18717 6034 1 11 . 1 1 62 62 GLU N N 62 118.341 118.341 119.777 -1.436 18717 6035 1 11 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.163 -0.221 18717 6036 1 11 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.408 -0.372 18717 6037 1 11 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.896 0.587 18717 6038 1 11 . 1 1 62 62 GLU H H 62 7.556 7.556 8.162 -0.606 18717 6039 1 11 . 1 1 63 63 VAL N N 63 116.650 116.650 116.136 0.514 18717 6040 1 11 . 1 1 63 63 VAL HA H 63 3.581 3.581 4.011 -0.430 18717 6041 1 11 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.722 -1.105 18717 6042 1 11 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.986 -1.705 18717 6043 1 11 . 1 1 63 63 VAL H H 63 7.398 7.398 7.628 -0.230 18717 6044 1 11 . 1 1 64 64 LEU N N 64 121.502 121.502 121.752 -0.250 18717 6045 1 11 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.307 -0.599 18717 6046 1 11 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.625 -0.758 18717 6047 1 11 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.311 0.625 18717 6048 1 11 . 1 1 64 64 LEU H H 64 7.889 7.889 8.002 -0.113 18717 6049 1 11 . 1 1 65 65 ASP N N 65 119.200 119.200 118.564 0.636 18717 6050 1 11 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.391 0.001 18717 6051 1 11 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.818 -0.556 18717 6052 1 11 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.910 -1.185 18717 6053 1 11 . 1 1 65 65 ASP H H 65 7.846 7.846 8.160 -0.314 18717 6054 1 11 . 1 1 66 66 ASN N N 66 120.252 120.252 119.478 0.774 18717 6055 1 11 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.646 -0.143 18717 6056 1 11 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.781 0.309 18717 6057 1 11 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.929 -0.910 18717 6058 1 11 . 1 1 66 66 ASN H H 66 7.480 7.480 7.881 -0.401 18717 6059 1 11 . 1 1 67 67 TRP N N 67 122.830 122.830 122.293 0.537 18717 6060 1 11 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.657 -0.158 18717 6061 1 11 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.429 -2.142 18717 6062 1 11 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.699 -1.635 18717 6063 1 11 . 1 1 67 67 TRP H H 67 8.730 8.730 8.879 -0.149 18717 6064 1 11 . 1 1 68 68 ARG N N 68 120.279 120.279 118.577 1.702 18717 6065 1 11 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.049 1.794 18717 6066 1 11 . 1 1 68 68 ARG CA C 68 58.177 58.177 57.803 0.374 18717 6067 1 11 . 1 1 68 68 ARG CB C 68 28.306 28.306 28.641 -0.335 18717 6068 1 11 . 1 1 68 68 ARG H H 68 7.976 7.976 7.730 0.246 18717 6069 1 11 . 1 1 69 69 GLU N N 69 121.656 121.656 121.218 0.438 18717 6070 1 11 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.048 0.234 18717 6071 1 11 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.265 0.040 18717 6072 1 11 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.566 0.416 18717 6073 1 11 . 1 1 69 69 GLU H H 69 8.676 8.676 7.638 1.038 18717 6074 1 11 . 1 1 70 70 LEU N N 70 120.066 120.066 116.793 3.273 18717 6075 1 11 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.196 -0.061 18717 6076 1 11 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.126 -0.125 18717 6077 1 11 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.526 0.844 18717 6078 1 11 . 1 1 70 70 LEU H H 70 7.963 7.963 7.818 0.145 18717 6079 1 11 . 1 1 71 71 GLU N N 71 118.326 118.326 120.060 -1.734 18717 6080 1 11 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.143 -0.578 18717 6081 1 11 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.520 -0.202 18717 6082 1 11 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.030 0.140 18717 6083 1 11 . 1 1 71 71 GLU H H 71 8.278 8.278 7.928 0.350 18717 6084 1 11 . 1 1 72 72 MET N N 72 117.881 117.881 114.299 3.582 18717 6085 1 11 . 1 1 72 72 MET HA H 72 4.163 4.163 4.607 -0.444 18717 6086 1 11 . 1 1 72 72 MET CA C 72 57.906 57.906 57.543 0.363 18717 6087 1 11 . 1 1 72 72 MET CB C 72 32.006 32.006 32.782 -0.776 18717 6088 1 11 . 1 1 72 72 MET H H 72 7.966 7.966 7.548 0.418 18717 6089 1 11 . 1 1 73 73 LYS N N 73 119.844 119.844 120.144 -0.300 18717 6090 1 11 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.234 -0.177 18717 6091 1 11 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.807 0.310 18717 6092 1 11 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.276 0.117 18717 6093 1 11 . 1 1 73 73 LYS H H 73 7.959 7.959 7.701 0.258 18717 6094 1 11 . 1 1 74 74 ALA N N 74 120.588 120.588 120.086 0.502 18717 6095 1 11 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.342 -0.325 18717 6096 1 11 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.162 0.948 18717 6097 1 11 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.343 -0.847 18717 6098 1 11 . 1 1 74 74 ALA H H 74 7.504 7.504 7.455 0.049 18717 6099 1 11 . 1 1 75 75 ARG N N 75 111.895 111.895 114.997 -3.102 18717 6100 1 11 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.939 -0.134 18717 6101 1 11 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.418 -0.045 18717 6102 1 11 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.883 -0.486 18717 6103 1 11 . 1 1 75 75 ARG H H 75 7.550 7.550 7.696 -0.146 18717 6104 1 11 . 1 1 76 76 LYS N N 76 114.585 114.585 116.677 -2.092 18717 6105 1 11 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.391 -0.277 18717 6106 1 11 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.398 0.104 18717 6107 1 11 . 1 1 76 76 LYS CB C 76 32.276 32.276 36.113 -3.837 18717 6108 1 11 . 1 1 76 76 LYS H H 76 7.810 7.810 7.936 -0.126 18717 6109 1 11 . 1 1 77 77 ARG N N 77 119.199 119.199 120.402 -1.203 18717 6110 1 11 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.518 -0.470 18717 6111 1 11 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.391 0.299 18717 6112 1 11 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.477 0.999 18717 6113 1 11 . 1 1 77 77 ARG H H 77 7.916 7.916 8.543 -0.627 18717 6114 1 11 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.080 0.083 18717 6115 1 11 . 1 1 80 80 THR N N 80 110.230 110.230 112.148 -1.918 18717 6116 1 11 . 1 1 80 80 THR HA H 80 4.526 4.526 4.336 0.190 18717 6117 1 11 . 1 1 80 80 THR CA C 80 58.081 58.081 60.937 -2.856 18717 6118 1 11 . 1 1 80 80 THR CB C 80 67.980 67.980 69.515 -1.535 18717 6119 1 11 . 1 1 80 80 THR H H 80 6.530 6.530 7.600 -1.070 18717 6120 1 11 . 1 1 81 81 THR N N 81 114.552 114.552 118.486 -3.934 18717 6121 1 11 . 1 1 81 81 THR HA H 81 4.260 4.260 4.020 0.240 18717 6122 1 11 . 1 1 81 81 THR CA C 81 61.767 61.767 62.733 -0.966 18717 6123 1 11 . 1 1 81 81 THR CB C 81 68.383 68.383 69.674 -1.291 18717 6124 1 11 . 1 1 81 81 THR H H 81 7.674 7.674 8.380 -0.706 18717 6125 1 11 . 1 1 82 82 LEU N N 82 127.155 127.155 124.876 2.279 18717 6126 1 11 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.230 -0.238 18717 6127 1 11 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.696 -0.982 18717 6128 1 11 . 1 1 82 82 LEU CB C 82 39.378 39.378 41.283 -1.905 18717 6129 1 11 . 1 1 82 82 LEU H H 82 8.465 8.465 7.318 1.147 18717 6130 1 11 . 1 1 83 83 PHE N N 83 113.552 113.552 117.055 -3.503 18717 6131 1 11 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.649 0.273 18717 6132 1 11 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.820 -0.156 18717 6133 1 11 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.583 1.466 18717 6134 1 11 . 1 1 83 83 PHE H H 83 6.370 6.370 7.029 -0.659 18717 6135 1 11 . 1 1 84 84 PHE N N 84 116.628 116.628 114.737 1.891 18717 6136 1 11 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.318 -0.043 18717 6137 1 11 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.228 -0.877 18717 6138 1 11 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.740 1.083 18717 6139 1 11 . 1 1 84 84 PHE H H 84 9.579 9.579 7.833 1.746 18717 6140 1 11 . 1 1 85 85 ILE N N 85 113.827 113.827 115.640 -1.813 18717 6141 1 11 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.319 -0.177 18717 6142 1 11 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.715 -0.429 18717 6143 1 11 . 1 1 85 85 ILE CB C 85 41.287 41.287 40.984 0.303 18717 6144 1 11 . 1 1 85 85 ILE H H 85 9.410 9.410 8.630 0.780 18717 6145 1 11 . 1 1 86 86 GLU N N 86 124.724 124.724 124.115 0.609 18717 6146 1 11 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.049 -0.424 18717 6147 1 11 . 1 1 86 86 GLU CA C 86 60.716 60.716 59.801 0.915 18717 6148 1 11 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.662 -0.652 18717 6149 1 11 . 1 1 86 86 GLU H H 86 9.957 9.957 8.769 1.188 18717 6150 1 11 . 1 1 87 87 THR N N 87 106.336 106.336 110.997 -4.661 18717 6151 1 11 . 1 1 87 87 THR HA H 87 3.695 3.695 4.180 -0.485 18717 6152 1 11 . 1 1 87 87 THR CA C 87 63.680 63.680 64.121 -0.440 18717 6153 1 11 . 1 1 87 87 THR CB C 87 67.530 67.530 68.709 -1.179 18717 6154 1 11 . 1 1 87 87 THR H H 87 7.659 7.659 8.275 -0.616 18717 6155 1 11 . 1 1 88 88 ASP N N 88 119.814 119.814 119.841 -0.027 18717 6156 1 11 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.609 -0.395 18717 6157 1 11 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.540 0.958 18717 6158 1 11 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.640 -0.559 18717 6159 1 11 . 1 1 88 88 ASP H H 88 7.605 7.605 7.716 -0.111 18717 6160 1 11 . 1 1 89 89 ILE N N 89 113.246 113.246 118.844 -5.598 18717 6161 1 11 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.222 -0.408 18717 6162 1 11 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.545 -3.038 18717 6163 1 11 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.864 -2.063 18717 6164 1 11 . 1 1 89 89 ILE H H 89 6.538 6.538 7.090 -0.552 18717 6165 1 11 . 1 1 90 90 ARG N N 90 119.499 119.499 122.613 -3.114 18717 6166 1 11 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.165 -0.549 18717 6167 1 11 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.374 0.691 18717 6168 1 11 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.554 0.339 18717 6169 1 11 . 1 1 90 90 ARG H H 90 7.721 7.721 8.464 -0.743 18717 6170 1 11 . 1 1 92 92 MET N N 92 113.492 113.492 116.363 -2.871 18717 6171 1 11 . 1 1 92 92 MET HA H 92 4.175 4.175 4.413 -0.238 18717 6172 1 11 . 1 1 92 92 MET CA C 92 55.799 55.799 56.093 -0.294 18717 6173 1 11 . 1 1 92 92 MET CB C 92 33.950 33.950 34.190 -0.240 18717 6174 1 11 . 1 1 92 92 MET H H 92 7.549 7.549 7.573 -0.024 18717 6175 1 11 . 1 1 93 93 LEU N N 93 117.943 117.943 119.276 -1.333 18717 6176 1 11 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.118 0.316 18717 6177 1 11 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.471 -3.616 18717 6178 1 11 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.273 0.586 18717 6179 1 11 . 1 1 93 93 LEU H H 93 7.297 7.297 7.295 0.002 18717 6180 1 11 . 1 1 94 94 GLN N N 94 121.536 121.536 116.026 5.510 18717 6181 1 11 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.445 -0.277 18717 6182 1 11 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.188 0.903 18717 6183 1 11 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.784 -2.621 18717 6184 1 11 . 1 1 94 94 GLN H H 94 8.675 8.675 8.229 0.446 18717 6185 1 11 . 1 1 95 95 ASP N N 95 123.380 123.380 125.597 -2.217 18717 6186 1 11 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.385 -0.501 18717 6187 1 11 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.708 1.785 18717 6188 1 11 . 1 1 95 95 ASP CB C 95 40.180 40.180 41.050 -0.870 18717 6189 1 11 . 1 1 95 95 ASP H H 95 8.804 8.804 8.860 -0.056 18717 6190 1 11 . 1 1 96 96 ARG N N 96 115.337 115.337 116.582 -1.245 18717 6191 1 11 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.344 -0.255 18717 6192 1 11 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.303 1.504 18717 6193 1 11 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.939 -0.508 18717 6194 1 11 . 1 1 96 96 ARG H H 96 8.652 8.652 7.840 0.812 18717 6195 1 11 . 1 1 97 97 LEU N N 97 118.485 118.485 122.180 -3.695 18717 6196 1 11 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.136 0.254 18717 6197 1 11 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.542 -1.131 18717 6198 1 11 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.567 1.527 18717 6199 1 11 . 1 1 97 97 LEU H H 97 7.776 7.776 7.547 0.229 18717 6200 1 11 . 1 1 98 98 ARG N N 98 119.863 119.863 115.718 4.145 18717 6201 1 11 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.088 -0.179 18717 6202 1 11 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.498 5.793 18717 6203 1 11 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.697 -0.872 18717 6204 1 11 . 1 1 98 98 ARG H H 98 7.553 7.553 7.855 -0.302 18717 6205 1 11 . 1 1 100 100 SER N N 100 111.387 111.387 115.479 -4.092 18717 6206 1 11 . 1 1 100 100 SER HA H 100 4.360 4.360 4.501 -0.141 18717 6207 1 11 . 1 1 100 100 SER CA C 100 59.923 59.923 59.322 0.602 18717 6208 1 11 . 1 1 100 100 SER CB C 100 63.304 63.304 63.780 -0.476 18717 6209 1 11 . 1 1 100 100 SER H H 100 7.616 7.616 8.484 -0.868 18717 6210 1 11 . 1 1 101 101 PHE N N 101 123.367 123.367 124.158 -0.791 18717 6211 1 11 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.059 -0.353 18717 6212 1 11 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.286 1.430 18717 6213 1 11 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.735 -0.090 18717 6214 1 11 . 1 1 101 101 PHE H H 101 7.722 7.722 8.193 -0.471 18717 6215 1 11 . 1 1 102 102 ALA N N 102 117.466 117.466 118.500 -1.034 18717 6216 1 11 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.124 -0.248 18717 6217 1 11 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.691 -0.153 18717 6218 1 11 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.155 -0.025 18717 6219 1 11 . 1 1 102 102 ALA H H 102 8.525 8.525 8.864 -0.339 18717 6220 1 11 . 1 1 103 103 LYS N N 103 115.077 115.077 116.511 -1.434 18717 6221 1 11 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.433 -0.368 18717 6222 1 11 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.334 -0.598 18717 6223 1 11 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.109 -1.062 18717 6224 1 11 . 1 1 103 103 LYS H H 103 7.000 7.000 7.979 -0.979 18717 6225 1 11 . 1 1 104 104 ALA N N 104 119.948 119.948 122.328 -2.380 18717 6226 1 11 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.353 -0.545 18717 6227 1 11 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.668 0.331 18717 6228 1 11 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.797 -0.882 18717 6229 1 11 . 1 1 104 104 ALA H H 104 7.955 7.955 7.702 0.253 18717 6230 1 11 . 1 1 105 105 ILE N N 105 116.011 116.011 120.502 -4.491 18717 6231 1 11 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.041 -0.592 18717 6232 1 11 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.631 -0.432 18717 6233 1 11 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.230 -2.233 18717 6234 1 11 . 1 1 105 105 ILE H H 105 7.030 7.030 8.504 -1.474 18717 6235 1 11 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.406 -0.373 18717 6236 1 11 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.865 0.057 18717 6237 1 11 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.923 0.040 18717 6238 1 11 . 1 1 107 107 CYS N N 107 115.533 115.533 115.122 0.411 18717 6239 1 11 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.465 -0.591 18717 6240 1 11 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.183 0.754 18717 6241 1 11 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.266 -0.362 18717 6242 1 11 . 1 1 107 107 CYS H H 107 6.558 6.558 7.347 -0.789 18717 6243 1 11 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.470 -0.617 18717 6244 1 11 . 1 1 109 109 ARG N N 109 120.576 120.576 117.730 2.846 18717 6245 1 11 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.320 0.072 18717 6246 1 11 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.233 0.228 18717 6247 1 11 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.667 0.600 18717 6248 1 11 . 1 1 109 109 ARG H H 109 8.507 8.507 8.003 0.504 18717 6249 1 11 . 1 1 110 110 HIS N N 110 122.218 122.218 122.458 -0.240 18717 6250 1 11 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.354 -0.268 18717 6251 1 11 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.041 1.717 18717 6252 1 11 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.559 1.336 18717 6253 1 11 . 1 1 110 110 HIS H H 110 7.998 7.998 8.261 -0.263 18717 6254 1 11 . 1 1 111 111 ILE N N 111 105.612 105.612 110.521 -4.909 18717 6255 1 11 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.182 0.148 18717 6256 1 11 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.956 -0.363 18717 6257 1 11 . 1 1 111 111 ILE CB C 111 36.950 36.950 39.049 -2.099 18717 6258 1 11 . 1 1 111 111 ILE H H 111 6.904 6.904 7.248 -0.344 18717 6259 1 11 . 1 1 112 112 ARG N N 112 114.782 114.782 118.837 -4.055 18717 6260 1 11 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.089 -0.188 18717 6261 1 11 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.057 0.258 18717 6262 1 11 . 1 1 112 112 ARG CB C 112 26.240 26.240 28.002 -1.762 18717 6263 1 11 . 1 1 112 112 ARG H H 112 7.660 7.660 7.923 -0.263 18717 6264 1 11 . 1 1 113 113 ARG N N 113 114.996 114.996 116.152 -1.156 18717 6265 1 11 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.489 -0.239 18717 6266 1 11 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.547 -0.893 18717 6267 1 11 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.149 -0.027 18717 6268 1 11 . 1 1 113 113 ARG H H 113 8.149 8.149 7.762 0.387 18717 6269 1 11 . 1 1 114 114 ILE N N 114 112.019 112.019 113.046 -1.027 18717 6270 1 11 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.025 -0.151 18717 6271 1 11 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.038 -2.436 18717 6272 1 11 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.676 0.724 18717 6273 1 11 . 1 1 114 114 ILE H H 114 6.810 6.810 7.314 -0.504 18717 6274 1 11 . 1 1 115 115 ARG N N 115 122.894 122.894 118.467 4.427 18717 6275 1 11 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.646 -0.289 18717 6276 1 11 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.430 -0.318 18717 6277 1 11 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.711 -1.653 18717 6278 1 11 . 1 1 115 115 ARG H H 115 8.822 8.822 8.333 0.489 18717 6279 1 11 . 1 1 116 116 GLU N N 116 118.962 118.962 118.805 0.157 18717 6280 1 11 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.726 0.589 18717 6281 1 11 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.528 -1.426 18717 6282 1 11 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.083 2.851 18717 6283 1 11 . 1 1 116 116 GLU H H 116 8.329 8.329 8.298 0.031 18717 6284 1 11 . 1 1 117 117 GLU N N 117 124.627 124.627 124.879 -0.252 18717 6285 1 11 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.554 -0.023 18717 6286 1 11 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.300 -0.188 18717 6287 1 11 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.607 1.726 18717 6288 1 11 . 1 1 117 117 GLU H H 117 9.028 9.028 8.144 0.884 18717 6289 1 11 . 1 1 118 118 ARG N N 118 127.916 127.916 128.660 -0.744 18717 6290 1 11 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.368 0.244 18717 6291 1 11 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.567 0.226 18717 6292 1 11 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.171 0.970 18717 6293 1 11 . 1 1 118 118 ARG H H 118 8.952 8.952 8.668 0.284 18717 6294 1 11 . 1 1 119 119 CYS N N 119 126.785 126.785 127.647 -0.862 18717 6295 1 11 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.612 0.046 18717 6296 1 11 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.656 -2.208 18717 6297 1 11 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.998 0.194 18717 6298 1 11 . 1 1 119 119 CYS H H 119 8.831 8.831 8.285 0.546 18717 6299 1 11 . 1 1 120 120 GLY N N 120 117.456 117.456 114.368 3.088 18717 6300 1 11 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.183 -0.671 18717 6301 1 11 . 1 1 120 120 GLY H H 120 8.873 8.873 8.535 0.338 18717 6302 1 11 . 1 1 122 122 LEU N N 122 121.777 121.777 119.834 1.943 18717 6303 1 11 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.553 -0.115 18717 6304 1 11 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.846 -0.237 18717 6305 1 11 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.127 -1.148 18717 6306 1 11 . 1 1 122 122 LEU H H 122 7.270 7.270 7.829 -0.559 18717 6307 1 11 . 1 1 123 123 THR N N 123 118.668 118.668 113.479 5.189 18717 6308 1 11 . 1 1 123 123 THR HA H 123 4.407 4.407 4.668 -0.261 18717 6309 1 11 . 1 1 123 123 THR CA C 123 61.769 61.769 61.688 0.081 18717 6310 1 11 . 1 1 123 123 THR CB C 123 69.263 69.263 69.586 -0.323 18717 6311 1 11 . 1 1 123 123 THR H H 123 7.649 7.649 7.826 -0.177 18717 6312 1 11 . 1 1 124 124 PHE N N 124 125.265 125.265 124.264 1.001 18717 6313 1 11 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.410 -1.139 18717 6314 1 11 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.362 1.225 18717 6315 1 11 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.550 0.478 18717 6316 1 11 . 1 1 124 124 PHE H H 124 8.553 8.553 8.147 0.406 18717 6317 1 11 . 1 1 125 125 TYR N N 125 118.544 118.544 116.370 2.174 18717 6318 1 11 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.791 0.495 18717 6319 1 11 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.594 -0.844 18717 6320 1 11 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.520 -0.402 18717 6321 1 11 . 1 1 125 125 TYR H H 125 8.616 8.616 8.098 0.518 18717 6322 1 11 . 1 1 126 126 TYR N N 126 115.848 115.848 118.377 -2.529 18717 6323 1 11 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.413 -0.153 18717 6324 1 11 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.945 0.983 18717 6325 1 11 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.538 -1.596 18717 6326 1 11 . 1 1 126 126 TYR H H 126 8.357 8.357 7.644 0.713 18717 6327 1 11 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.560 0.062 18717 6328 1 11 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.887 0.042 18717 6329 1 11 . 1 1 128 128 GLY N N 128 108.039 108.039 114.878 -6.839 18717 6330 1 11 . 1 1 128 128 GLY CA C 128 44.707 44.707 44.901 -0.194 18717 6331 1 11 . 1 1 128 128 GLY H H 128 7.730 7.730 7.861 -0.131 18717 6332 1 11 . 1 1 129 129 SER N N 129 114.228 114.228 116.992 -2.764 18717 6333 1 11 . 1 1 129 129 SER HA H 129 4.438 4.438 4.745 -0.307 18717 6334 1 11 . 1 1 129 129 SER CA C 129 57.566 57.566 57.437 0.129 18717 6335 1 11 . 1 1 129 129 SER CB C 129 63.772 63.772 63.207 0.565 18717 6336 1 11 . 1 1 129 129 SER H H 129 8.102 8.102 8.463 -0.361 18717 6337 1 12 . 1 1 3 3 ASP N N 3 120.763 120.763 121.441 -0.678 18717 6338 1 12 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.841 -0.354 18717 6339 1 12 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.823 0.308 18717 6340 1 12 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.224 0.663 18717 6341 1 12 . 1 1 3 3 ASP H H 3 8.327 8.327 8.513 -0.186 18717 6342 1 12 . 1 1 4 4 ILE N N 4 121.147 121.147 122.094 -0.947 18717 6343 1 12 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.536 -0.491 18717 6344 1 12 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.940 1.783 18717 6345 1 12 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.584 -2.124 18717 6346 1 12 . 1 1 4 4 ILE H H 4 7.971 7.971 7.972 -0.001 18717 6347 1 12 . 1 1 5 5 ARG N N 5 123.685 123.685 122.031 1.654 18717 6348 1 12 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.429 0.042 18717 6349 1 12 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.415 -1.996 18717 6350 1 12 . 1 1 5 5 ARG CB C 5 30.142 30.142 31.291 -1.149 18717 6351 1 12 . 1 1 5 5 ARG H H 5 8.067 8.067 8.242 -0.175 18717 6352 1 12 . 1 1 6 6 ILE N N 6 124.881 124.881 117.926 6.955 18717 6353 1 12 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.215 -0.432 18717 6354 1 12 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.590 1.851 18717 6355 1 12 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.234 -1.050 18717 6356 1 12 . 1 1 6 6 ILE H H 6 9.083 9.083 8.811 0.272 18717 6357 1 12 . 1 1 7 7 VAL N N 7 120.527 120.527 113.053 7.474 18717 6358 1 12 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.576 -0.485 18717 6359 1 12 . 1 1 7 7 VAL CA C 7 58.665 58.665 57.434 1.231 18717 6360 1 12 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.523 -1.831 18717 6361 1 12 . 1 1 7 7 VAL H H 7 9.067 9.067 7.448 1.619 18717 6362 1 12 . 1 1 9 9 GLN N N 9 120.479 120.479 117.458 3.021 18717 6363 1 12 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.437 -0.577 18717 6364 1 12 . 1 1 9 9 GLN CA C 9 55.899 55.899 54.808 1.091 18717 6365 1 12 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.969 -0.147 18717 6366 1 12 . 1 1 9 9 GLN H H 9 8.305 8.305 8.291 0.014 18717 6367 1 12 . 1 1 10 10 ILE N N 10 125.746 125.746 117.636 8.110 18717 6368 1 12 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.565 -0.515 18717 6369 1 12 . 1 1 10 10 ILE CA C 10 60.287 60.287 60.175 0.112 18717 6370 1 12 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.114 -1.964 18717 6371 1 12 . 1 1 10 10 ILE H H 10 10.040 10.040 8.264 1.776 18717 6372 1 12 . 1 1 11 11 THR HA H 11 4.459 4.459 4.660 -0.201 18717 6373 1 12 . 1 1 11 11 THR CA C 11 60.124 60.124 60.103 0.021 18717 6374 1 12 . 1 1 11 11 THR CB C 11 71.036 71.036 70.285 0.751 18717 6375 1 12 . 1 1 12 12 ASP N N 12 121.634 121.634 120.555 1.079 18717 6376 1 12 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.478 -0.245 18717 6377 1 12 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.502 0.289 18717 6378 1 12 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.667 0.178 18717 6379 1 12 . 1 1 12 12 ASP H H 12 8.892 8.892 8.773 0.119 18717 6380 1 12 . 1 1 13 13 GLU N N 13 117.207 117.207 117.177 0.030 18717 6381 1 12 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.173 -0.324 18717 6382 1 12 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.721 0.962 18717 6383 1 12 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.447 -0.292 18717 6384 1 12 . 1 1 13 13 GLU H H 13 8.421 8.421 8.644 -0.223 18717 6385 1 12 . 1 1 14 14 GLU N N 14 118.579 118.579 117.804 0.775 18717 6386 1 12 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.417 -0.440 18717 6387 1 12 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.423 1.070 18717 6388 1 12 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.587 0.828 18717 6389 1 12 . 1 1 14 14 GLU H H 14 7.647 7.647 7.940 -0.293 18717 6390 1 12 . 1 1 15 15 PHE N N 15 122.867 122.867 122.429 0.438 18717 6391 1 12 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.245 -0.400 18717 6392 1 12 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.308 -0.302 18717 6393 1 12 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.367 0.490 18717 6394 1 12 . 1 1 15 15 PHE H H 15 8.823 8.823 8.946 -0.123 18717 6395 1 12 . 1 1 16 16 LYS N N 16 115.192 115.192 116.381 -1.189 18717 6396 1 12 . 1 1 16 16 LYS HA H 16 3.963 3.963 3.975 -0.012 18717 6397 1 12 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.911 0.175 18717 6398 1 12 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.177 1.431 18717 6399 1 12 . 1 1 16 16 LYS H H 16 7.742 7.742 7.735 0.007 18717 6400 1 12 . 1 1 17 17 THR N N 17 108.709 108.709 114.022 -5.313 18717 6401 1 12 . 1 1 17 17 THR HA H 17 4.269 4.269 4.221 0.048 18717 6402 1 12 . 1 1 17 17 THR CA C 17 61.767 61.767 63.095 -1.328 18717 6403 1 12 . 1 1 17 17 THR CB C 17 69.956 69.956 69.285 0.671 18717 6404 1 12 . 1 1 17 17 THR H H 17 7.518 7.518 7.747 -0.229 18717 6405 1 12 . 1 1 18 18 ILE N N 18 124.707 124.707 123.566 1.141 18717 6406 1 12 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.063 -0.451 18717 6407 1 12 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.681 1.720 18717 6408 1 12 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.891 -0.608 18717 6409 1 12 . 1 1 18 18 ILE H H 18 7.063 7.063 7.100 -0.037 18717 6410 1 12 . 1 1 20 20 LYS N N 20 124.646 124.646 121.046 3.600 18717 6411 1 12 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.811 -0.102 18717 6412 1 12 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.898 0.282 18717 6413 1 12 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.279 0.160 18717 6414 1 12 . 1 1 20 20 LYS H H 20 8.639 8.639 8.540 0.099 18717 6415 1 12 . 1 1 21 21 TYR N N 21 115.093 115.093 117.018 -1.925 18717 6416 1 12 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.321 -0.007 18717 6417 1 12 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.567 -0.653 18717 6418 1 12 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.354 -1.177 18717 6419 1 12 . 1 1 21 21 TYR H H 21 7.897 7.897 7.593 0.304 18717 6420 1 12 . 1 1 22 22 GLN N N 22 119.745 119.745 116.603 3.142 18717 6421 1 12 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.376 -0.450 18717 6422 1 12 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.228 0.378 18717 6423 1 12 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.020 -0.555 18717 6424 1 12 . 1 1 22 22 GLN H H 22 6.759 6.759 7.925 -1.166 18717 6425 1 12 . 1 1 23 23 LEU N N 23 118.619 118.619 119.318 -0.699 18717 6426 1 12 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.063 -0.211 18717 6427 1 12 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.355 0.214 18717 6428 1 12 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.526 1.064 18717 6429 1 12 . 1 1 23 23 LEU H H 23 7.115 7.115 7.670 -0.555 18717 6430 1 12 . 1 1 24 24 GLY N N 24 103.606 103.606 106.459 -2.853 18717 6431 1 12 . 1 1 24 24 GLY CA C 24 46.923 46.923 45.304 1.619 18717 6432 1 12 . 1 1 24 24 GLY H H 24 7.541 7.541 7.996 -0.455 18717 6433 1 12 . 1 1 25 25 ARG N N 25 126.033 126.033 116.214 9.819 18717 6434 1 12 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.839 0.441 18717 6435 1 12 . 1 1 25 25 ARG CA C 25 55.373 55.373 56.840 -1.467 18717 6436 1 12 . 1 1 25 25 ARG CB C 25 29.946 29.946 27.807 2.139 18717 6437 1 12 . 1 1 25 25 ARG H H 25 8.850 8.850 8.647 0.203 18717 6438 1 12 . 1 1 26 26 LEU N N 26 121.287 121.287 118.776 2.511 18717 6439 1 12 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.397 -0.139 18717 6440 1 12 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.303 1.292 18717 6441 1 12 . 1 1 26 26 LEU CB C 26 42.745 42.745 42.967 -0.222 18717 6442 1 12 . 1 1 26 26 LEU H H 26 8.017 8.017 7.870 0.147 18717 6443 1 12 . 1 1 27 27 THR N N 27 110.943 110.943 108.315 2.628 18717 6444 1 12 . 1 1 27 27 THR HA H 27 4.626 4.626 4.451 0.175 18717 6445 1 12 . 1 1 27 27 THR CA C 27 58.272 58.272 60.057 -1.785 18717 6446 1 12 . 1 1 27 27 THR H H 27 7.129 7.129 7.631 -0.502 18717 6447 1 12 . 1 1 28 28 LEU N N 28 124.601 124.601 122.835 1.766 18717 6448 1 12 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.650 -0.423 18717 6449 1 12 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.924 -1.090 18717 6450 1 12 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.674 -1.762 18717 6451 1 12 . 1 1 28 28 LEU H H 28 8.404 8.404 8.195 0.209 18717 6452 1 12 . 1 1 29 29 GLU N N 29 117.021 117.021 118.233 -1.212 18717 6453 1 12 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.843 0.043 18717 6454 1 12 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.396 0.571 18717 6455 1 12 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.273 -0.461 18717 6456 1 12 . 1 1 29 29 GLU H H 29 8.361 8.361 8.679 -0.318 18717 6457 1 12 . 1 1 30 30 MET N N 30 119.159 119.159 118.556 0.603 18717 6458 1 12 . 1 1 30 30 MET HA H 30 3.999 3.999 4.324 -0.325 18717 6459 1 12 . 1 1 30 30 MET CA C 30 58.946 58.946 58.077 0.869 18717 6460 1 12 . 1 1 30 30 MET CB C 30 31.941 31.941 32.484 -0.543 18717 6461 1 12 . 1 1 30 30 MET H H 30 7.541 7.541 7.511 0.030 18717 6462 1 12 . 1 1 31 31 MET N N 31 117.316 117.316 118.035 -0.719 18717 6463 1 12 . 1 1 31 31 MET HA H 31 3.833 3.833 3.963 -0.130 18717 6464 1 12 . 1 1 31 31 MET CA C 31 58.966 58.966 59.068 -0.102 18717 6465 1 12 . 1 1 31 31 MET CB C 31 32.253 32.253 32.140 0.113 18717 6466 1 12 . 1 1 31 31 MET H H 31 8.310 8.310 7.993 0.317 18717 6467 1 12 . 1 1 32 32 ASN N N 32 116.639 116.639 119.375 -2.736 18717 6468 1 12 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.354 0.604 18717 6469 1 12 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.156 -2.881 18717 6470 1 12 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.680 -1.765 18717 6471 1 12 . 1 1 32 32 ASN H H 32 8.728 8.728 8.636 0.092 18717 6472 1 12 . 1 1 33 33 GLU N N 33 125.338 125.338 118.284 7.054 18717 6473 1 12 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.178 0.008 18717 6474 1 12 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.473 1.038 18717 6475 1 12 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.404 -0.176 18717 6476 1 12 . 1 1 33 33 GLU H H 33 7.918 7.918 7.921 -0.003 18717 6477 1 12 . 1 1 34 34 ILE N N 34 119.962 119.962 121.364 -1.402 18717 6478 1 12 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.609 -0.138 18717 6479 1 12 . 1 1 34 34 ILE CA C 34 65.794 65.794 64.867 0.927 18717 6480 1 12 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.889 0.033 18717 6481 1 12 . 1 1 34 34 ILE H H 34 7.576 7.576 7.377 0.199 18717 6482 1 12 . 1 1 35 35 VAL N N 35 119.021 119.021 118.972 0.049 18717 6483 1 12 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.861 -0.286 18717 6484 1 12 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.328 0.817 18717 6485 1 12 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.795 0.704 18717 6486 1 12 . 1 1 35 35 VAL H H 35 8.657 8.657 8.500 0.157 18717 6487 1 12 . 1 1 36 36 SER N N 36 114.977 114.977 115.541 -0.564 18717 6488 1 12 . 1 1 36 36 SER HA H 36 4.171 4.171 4.500 -0.329 18717 6489 1 12 . 1 1 36 36 SER CA C 36 61.604 61.604 60.937 0.667 18717 6490 1 12 . 1 1 36 36 SER CB C 36 62.415 62.415 63.374 -0.959 18717 6491 1 12 . 1 1 36 36 SER H H 36 8.175 8.175 8.024 0.151 18717 6492 1 12 . 1 1 37 37 LYS N N 37 119.000 119.000 122.705 -3.705 18717 6493 1 12 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.116 0.061 18717 6494 1 12 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.644 -1.489 18717 6495 1 12 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.315 -1.935 18717 6496 1 12 . 1 1 37 37 LYS H H 37 7.283 7.283 7.807 -0.524 18717 6497 1 12 . 1 1 38 38 MET N N 38 119.061 119.061 116.925 2.136 18717 6498 1 12 . 1 1 38 38 MET HA H 38 3.430 3.430 3.799 -0.369 18717 6499 1 12 . 1 1 38 38 MET CA C 38 59.676 59.676 59.654 0.022 18717 6500 1 12 . 1 1 38 38 MET CB C 38 31.961 31.961 32.252 -0.291 18717 6501 1 12 . 1 1 38 38 MET H H 38 7.740 7.740 8.146 -0.406 18717 6502 1 12 . 1 1 39 39 ASP N N 39 118.445 118.445 118.966 -0.521 18717 6503 1 12 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.407 -0.317 18717 6504 1 12 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.227 1.546 18717 6505 1 12 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.505 2.636 18717 6506 1 12 . 1 1 39 39 ASP H H 39 8.603 8.603 8.105 0.498 18717 6507 1 12 . 1 1 40 40 ASP N N 40 117.427 117.427 120.914 -3.487 18717 6508 1 12 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.381 -0.192 18717 6509 1 12 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.319 0.008 18717 6510 1 12 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.736 0.305 18717 6511 1 12 . 1 1 40 40 ASP H H 40 8.397 8.397 7.552 0.845 18717 6512 1 12 . 1 1 41 41 PHE N N 41 119.507 119.507 120.472 -0.965 18717 6513 1 12 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.160 -0.189 18717 6514 1 12 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.820 2.342 18717 6515 1 12 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.015 0.483 18717 6516 1 12 . 1 1 41 41 PHE H H 41 8.248 8.248 8.052 0.196 18717 6517 1 12 . 1 1 42 42 LEU N N 42 118.072 118.072 120.206 -2.134 18717 6518 1 12 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.833 -0.108 18717 6519 1 12 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.226 -0.058 18717 6520 1 12 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.184 0.465 18717 6521 1 12 . 1 1 42 42 LEU H H 42 8.203 8.203 7.993 0.210 18717 6522 1 12 . 1 1 43 43 MET N N 43 121.878 121.878 119.383 2.495 18717 6523 1 12 . 1 1 43 43 MET HA H 43 4.063 4.063 4.119 -0.056 18717 6524 1 12 . 1 1 43 43 MET CA C 43 57.664 57.664 59.160 -1.496 18717 6525 1 12 . 1 1 43 43 MET CB C 43 30.833 30.833 32.755 -1.922 18717 6526 1 12 . 1 1 43 43 MET H H 43 9.073 9.073 8.216 0.857 18717 6527 1 12 . 1 1 44 44 LYS N N 44 122.276 122.276 118.863 3.413 18717 6528 1 12 . 1 1 44 44 LYS HA H 44 3.865 3.865 3.979 -0.114 18717 6529 1 12 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.184 0.301 18717 6530 1 12 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.086 -0.561 18717 6531 1 12 . 1 1 44 44 LYS H H 44 7.678 7.678 7.837 -0.159 18717 6532 1 12 . 1 1 46 46 SER N N 46 113.504 113.504 113.153 0.351 18717 6533 1 12 . 1 1 46 46 SER HA H 46 3.744 3.744 4.141 -0.397 18717 6534 1 12 . 1 1 46 46 SER CA C 46 61.358 61.358 61.154 0.204 18717 6535 1 12 . 1 1 46 46 SER CB C 46 62.674 62.674 62.996 -0.322 18717 6536 1 12 . 1 1 46 46 SER H H 46 8.467 8.467 7.788 0.679 18717 6537 1 12 . 1 1 47 47 LYS N N 47 120.235 120.235 120.126 0.109 18717 6538 1 12 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.147 -0.192 18717 6539 1 12 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.903 -0.089 18717 6540 1 12 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.951 0.062 18717 6541 1 12 . 1 1 47 47 LYS H H 47 7.659 7.659 7.418 0.241 18717 6542 1 12 . 1 1 48 48 ILE N N 48 120.699 120.699 119.092 1.607 18717 6543 1 12 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.843 -0.378 18717 6544 1 12 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.751 2.341 18717 6545 1 12 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.388 -0.441 18717 6546 1 12 . 1 1 48 48 ILE H H 48 7.803 7.803 7.264 0.539 18717 6547 1 12 . 1 1 49 49 LEU N N 49 118.686 118.686 118.464 0.222 18717 6548 1 12 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.129 -0.064 18717 6549 1 12 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.651 0.463 18717 6550 1 12 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.758 -0.165 18717 6551 1 12 . 1 1 49 49 LEU H H 49 8.671 8.671 7.589 1.082 18717 6552 1 12 . 1 1 50 50 GLY N N 50 103.264 103.264 105.365 -2.101 18717 6553 1 12 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.906 -0.360 18717 6554 1 12 . 1 1 50 50 GLY H H 50 7.422 7.422 7.731 -0.309 18717 6555 1 12 . 1 1 51 51 LYS N N 51 121.616 121.616 120.683 0.933 18717 6556 1 12 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.353 -0.083 18717 6557 1 12 . 1 1 51 51 LYS CA C 51 57.328 57.328 57.097 0.231 18717 6558 1 12 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.872 1.304 18717 6559 1 12 . 1 1 51 51 LYS H H 51 7.227 7.227 7.634 -0.407 18717 6560 1 12 . 1 1 52 52 THR N N 52 112.472 112.472 112.642 -0.170 18717 6561 1 12 . 1 1 52 52 THR HA H 52 4.363 4.363 4.644 -0.281 18717 6562 1 12 . 1 1 52 52 THR CA C 52 60.280 60.280 59.700 0.580 18717 6563 1 12 . 1 1 52 52 THR CB C 52 69.989 69.989 70.560 -0.571 18717 6564 1 12 . 1 1 52 52 THR H H 52 8.298 8.298 7.871 0.427 18717 6565 1 12 . 1 1 53 53 ASN N N 53 118.660 118.660 120.336 -1.676 18717 6566 1 12 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.405 -0.142 18717 6567 1 12 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.721 0.845 18717 6568 1 12 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.265 -0.075 18717 6569 1 12 . 1 1 53 53 ASN H H 53 8.739 8.739 8.864 -0.125 18717 6570 1 12 . 1 1 54 54 LYS N N 54 116.241 116.241 118.494 -2.253 18717 6571 1 12 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.182 -0.098 18717 6572 1 12 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.901 -0.350 18717 6573 1 12 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.420 -0.042 18717 6574 1 12 . 1 1 54 54 LYS H H 54 7.949 7.949 7.542 0.407 18717 6575 1 12 . 1 1 55 55 GLN N N 55 116.389 116.389 117.780 -1.391 18717 6576 1 12 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.251 -0.068 18717 6577 1 12 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.952 -0.331 18717 6578 1 12 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.517 1.006 18717 6579 1 12 . 1 1 55 55 GLN H H 55 7.492 7.492 7.555 -0.063 18717 6580 1 12 . 1 1 56 56 LEU N N 56 120.014 120.014 122.260 -2.246 18717 6581 1 12 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.340 0.107 18717 6582 1 12 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.650 -0.325 18717 6583 1 12 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.688 0.336 18717 6584 1 12 . 1 1 56 56 LEU H H 56 7.137 7.137 8.197 -1.060 18717 6585 1 12 . 1 1 57 57 THR N N 57 115.673 115.673 116.374 -0.701 18717 6586 1 12 . 1 1 57 57 THR HA H 57 4.491 4.491 4.707 -0.216 18717 6587 1 12 . 1 1 57 57 THR CA C 57 59.638 59.638 59.998 -0.360 18717 6588 1 12 . 1 1 57 57 THR CB C 57 71.233 71.233 71.383 -0.150 18717 6589 1 12 . 1 1 57 57 THR H H 57 8.986 8.986 8.545 0.441 18717 6590 1 12 . 1 1 58 58 ARG N N 58 121.180 121.180 120.580 0.600 18717 6591 1 12 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.038 -0.161 18717 6592 1 12 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.033 -0.216 18717 6593 1 12 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.130 -0.799 18717 6594 1 12 . 1 1 58 58 ARG H H 58 8.783 8.783 8.839 -0.056 18717 6595 1 12 . 1 1 59 59 SER N N 59 113.863 113.863 114.526 -0.663 18717 6596 1 12 . 1 1 59 59 SER HA H 59 4.116 4.116 4.203 -0.087 18717 6597 1 12 . 1 1 59 59 SER CA C 59 60.988 60.988 61.130 -0.142 18717 6598 1 12 . 1 1 59 59 SER CB C 59 62.156 62.156 62.689 -0.533 18717 6599 1 12 . 1 1 59 59 SER H H 59 8.198 8.198 8.507 -0.309 18717 6600 1 12 . 1 1 60 60 ASP N N 60 122.780 122.780 120.329 2.451 18717 6601 1 12 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.556 -0.504 18717 6602 1 12 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.339 0.199 18717 6603 1 12 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.233 1.744 18717 6604 1 12 . 1 1 60 60 ASP H H 60 7.623 7.623 7.721 -0.098 18717 6605 1 12 . 1 1 61 61 ARG N N 61 117.219 117.219 120.177 -2.958 18717 6606 1 12 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.153 -0.434 18717 6607 1 12 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.603 -0.066 18717 6608 1 12 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.625 -1.021 18717 6609 1 12 . 1 1 61 61 ARG H H 61 7.966 7.966 7.934 0.032 18717 6610 1 12 . 1 1 62 62 GLU N N 62 118.341 118.341 120.139 -1.798 18717 6611 1 12 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.118 -0.176 18717 6612 1 12 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.445 -0.409 18717 6613 1 12 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.958 0.525 18717 6614 1 12 . 1 1 62 62 GLU H H 62 7.556 7.556 8.266 -0.710 18717 6615 1 12 . 1 1 63 63 VAL N N 63 116.650 116.650 116.410 0.240 18717 6616 1 12 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.965 -0.384 18717 6617 1 12 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.636 -1.019 18717 6618 1 12 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.842 -1.561 18717 6619 1 12 . 1 1 63 63 VAL H H 63 7.398 7.398 7.642 -0.244 18717 6620 1 12 . 1 1 64 64 LEU N N 64 121.502 121.502 121.639 -0.137 18717 6621 1 12 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.071 -0.363 18717 6622 1 12 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.279 -0.412 18717 6623 1 12 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.197 0.739 18717 6624 1 12 . 1 1 64 64 LEU H H 64 7.889 7.889 7.903 -0.014 18717 6625 1 12 . 1 1 65 65 ASP N N 65 119.200 119.200 118.560 0.640 18717 6626 1 12 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.416 -0.024 18717 6627 1 12 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.957 -0.695 18717 6628 1 12 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.994 -1.269 18717 6629 1 12 . 1 1 65 65 ASP H H 65 7.846 7.846 8.144 -0.298 18717 6630 1 12 . 1 1 66 66 ASN N N 66 120.252 120.252 118.491 1.761 18717 6631 1 12 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.613 -0.110 18717 6632 1 12 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.993 0.097 18717 6633 1 12 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.962 -0.943 18717 6634 1 12 . 1 1 66 66 ASN H H 66 7.480 7.480 7.774 -0.294 18717 6635 1 12 . 1 1 67 67 TRP N N 67 122.830 122.830 122.893 -0.063 18717 6636 1 12 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.572 -0.073 18717 6637 1 12 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.919 -3.632 18717 6638 1 12 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.527 -1.463 18717 6639 1 12 . 1 1 67 67 TRP H H 67 8.730 8.730 8.776 -0.046 18717 6640 1 12 . 1 1 68 68 ARG N N 68 120.279 120.279 117.452 2.827 18717 6641 1 12 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.180 0.663 18717 6642 1 12 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.077 0.100 18717 6643 1 12 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.040 -0.734 18717 6644 1 12 . 1 1 68 68 ARG H H 68 7.976 7.976 8.152 -0.176 18717 6645 1 12 . 1 1 69 69 GLU N N 69 121.656 121.656 121.202 0.454 18717 6646 1 12 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.233 0.049 18717 6647 1 12 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.990 0.315 18717 6648 1 12 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.430 0.552 18717 6649 1 12 . 1 1 69 69 GLU H H 69 8.676 8.676 7.813 0.863 18717 6650 1 12 . 1 1 70 70 LEU N N 70 120.066 120.066 117.223 2.843 18717 6651 1 12 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.293 -0.158 18717 6652 1 12 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.043 -0.042 18717 6653 1 12 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.404 0.966 18717 6654 1 12 . 1 1 70 70 LEU H H 70 7.963 7.963 7.948 0.015 18717 6655 1 12 . 1 1 71 71 GLU N N 71 118.326 118.326 119.884 -1.558 18717 6656 1 12 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.066 -0.501 18717 6657 1 12 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.367 -0.049 18717 6658 1 12 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.106 0.064 18717 6659 1 12 . 1 1 71 71 GLU H H 71 8.278 8.278 7.936 0.342 18717 6660 1 12 . 1 1 72 72 MET N N 72 117.881 117.881 114.091 3.790 18717 6661 1 12 . 1 1 72 72 MET HA H 72 4.163 4.163 4.622 -0.459 18717 6662 1 12 . 1 1 72 72 MET CA C 72 57.906 57.906 57.536 0.370 18717 6663 1 12 . 1 1 72 72 MET CB C 72 32.006 32.006 33.140 -1.134 18717 6664 1 12 . 1 1 72 72 MET H H 72 7.966 7.966 7.646 0.320 18717 6665 1 12 . 1 1 73 73 LYS N N 73 119.844 119.844 118.882 0.962 18717 6666 1 12 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.270 -0.213 18717 6667 1 12 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.027 1.090 18717 6668 1 12 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.560 -0.167 18717 6669 1 12 . 1 1 73 73 LYS H H 73 7.959 7.959 7.596 0.363 18717 6670 1 12 . 1 1 74 74 ALA N N 74 120.588 120.588 119.743 0.845 18717 6671 1 12 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.326 -0.309 18717 6672 1 12 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.169 0.941 18717 6673 1 12 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.004 -0.508 18717 6674 1 12 . 1 1 74 74 ALA H H 74 7.504 7.504 7.472 0.032 18717 6675 1 12 . 1 1 75 75 ARG N N 75 111.895 111.895 117.142 -5.247 18717 6676 1 12 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.940 -0.135 18717 6677 1 12 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.473 -0.100 18717 6678 1 12 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.336 -0.940 18717 6679 1 12 . 1 1 75 75 ARG H H 75 7.550 7.550 7.960 -0.410 18717 6680 1 12 . 1 1 76 76 LYS N N 76 114.585 114.585 116.659 -2.074 18717 6681 1 12 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.331 -0.217 18717 6682 1 12 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.582 -0.080 18717 6683 1 12 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.316 -3.040 18717 6684 1 12 . 1 1 76 76 LYS H H 76 7.810 7.810 7.990 -0.180 18717 6685 1 12 . 1 1 77 77 ARG N N 77 119.199 119.199 120.991 -1.792 18717 6686 1 12 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.486 -0.438 18717 6687 1 12 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.338 0.352 18717 6688 1 12 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.480 0.996 18717 6689 1 12 . 1 1 77 77 ARG H H 77 7.916 7.916 8.499 -0.583 18717 6690 1 12 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.141 0.022 18717 6691 1 12 . 1 1 80 80 THR N N 80 110.230 110.230 114.492 -4.262 18717 6692 1 12 . 1 1 80 80 THR HA H 80 4.526 4.526 4.327 0.199 18717 6693 1 12 . 1 1 80 80 THR CA C 80 58.081 58.081 61.625 -3.544 18717 6694 1 12 . 1 1 80 80 THR CB C 80 67.980 67.980 69.507 -1.527 18717 6695 1 12 . 1 1 80 80 THR H H 80 6.530 6.530 7.945 -1.415 18717 6696 1 12 . 1 1 81 81 THR N N 81 114.552 114.552 114.354 0.198 18717 6697 1 12 . 1 1 81 81 THR HA H 81 4.260 4.260 3.725 0.535 18717 6698 1 12 . 1 1 81 81 THR CA C 81 61.767 61.767 62.894 -1.127 18717 6699 1 12 . 1 1 81 81 THR CB C 81 68.383 68.383 69.417 -1.034 18717 6700 1 12 . 1 1 81 81 THR H H 81 7.674 7.674 8.108 -0.434 18717 6701 1 12 . 1 1 82 82 LEU N N 82 127.155 127.155 125.317 1.838 18717 6702 1 12 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.700 -0.708 18717 6703 1 12 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.286 -1.572 18717 6704 1 12 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.504 -1.126 18717 6705 1 12 . 1 1 82 82 LEU H H 82 8.465 8.465 7.722 0.743 18717 6706 1 12 . 1 1 83 83 PHE N N 83 113.552 113.552 117.561 -4.009 18717 6707 1 12 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.840 0.082 18717 6708 1 12 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.803 -0.139 18717 6709 1 12 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.706 1.343 18717 6710 1 12 . 1 1 83 83 PHE H H 83 6.370 6.370 7.495 -1.125 18717 6711 1 12 . 1 1 84 84 PHE N N 84 116.628 116.628 115.812 0.816 18717 6712 1 12 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.529 -0.254 18717 6713 1 12 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.762 -1.411 18717 6714 1 12 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.531 1.292 18717 6715 1 12 . 1 1 84 84 PHE H H 84 9.579 9.579 7.917 1.662 18717 6716 1 12 . 1 1 85 85 ILE N N 85 113.827 113.827 115.311 -1.484 18717 6717 1 12 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.255 -0.113 18717 6718 1 12 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.536 -0.250 18717 6719 1 12 . 1 1 85 85 ILE CB C 85 41.287 41.287 40.885 0.402 18717 6720 1 12 . 1 1 85 85 ILE H H 85 9.410 9.410 8.644 0.766 18717 6721 1 12 . 1 1 86 86 GLU N N 86 124.724 124.724 125.520 -0.796 18717 6722 1 12 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.986 -0.361 18717 6723 1 12 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.341 0.375 18717 6724 1 12 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.560 -0.550 18717 6725 1 12 . 1 1 86 86 GLU H H 86 9.957 9.957 8.842 1.115 18717 6726 1 12 . 1 1 87 87 THR N N 87 106.336 106.336 110.625 -4.289 18717 6727 1 12 . 1 1 87 87 THR HA H 87 3.695 3.695 4.167 -0.472 18717 6728 1 12 . 1 1 87 87 THR CA C 87 63.680 63.680 64.751 -1.071 18717 6729 1 12 . 1 1 87 87 THR CB C 87 67.530 67.530 68.060 -0.530 18717 6730 1 12 . 1 1 87 87 THR H H 87 7.659 7.659 8.358 -0.699 18717 6731 1 12 . 1 1 88 88 ASP N N 88 119.814 119.814 120.269 -0.455 18717 6732 1 12 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.547 -0.333 18717 6733 1 12 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.158 1.340 18717 6734 1 12 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.148 -1.067 18717 6735 1 12 . 1 1 88 88 ASP H H 88 7.605 7.605 8.265 -0.660 18717 6736 1 12 . 1 1 89 89 ILE N N 89 113.246 113.246 119.127 -5.881 18717 6737 1 12 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.147 -0.333 18717 6738 1 12 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.269 -2.762 18717 6739 1 12 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.557 -1.757 18717 6740 1 12 . 1 1 89 89 ILE H H 89 6.538 6.538 7.191 -0.653 18717 6741 1 12 . 1 1 90 90 ARG N N 90 119.499 119.499 122.818 -3.319 18717 6742 1 12 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.138 -0.522 18717 6743 1 12 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.377 0.688 18717 6744 1 12 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.552 0.341 18717 6745 1 12 . 1 1 90 90 ARG H H 90 7.721 7.721 8.539 -0.818 18717 6746 1 12 . 1 1 92 92 MET N N 92 113.492 113.492 116.556 -3.064 18717 6747 1 12 . 1 1 92 92 MET HA H 92 4.175 4.175 4.403 -0.228 18717 6748 1 12 . 1 1 92 92 MET CA C 92 55.799 55.799 56.265 -0.466 18717 6749 1 12 . 1 1 92 92 MET CB C 92 33.950 33.950 34.116 -0.166 18717 6750 1 12 . 1 1 92 92 MET H H 92 7.549 7.549 7.723 -0.174 18717 6751 1 12 . 1 1 93 93 LEU N N 93 117.943 117.943 119.553 -1.610 18717 6752 1 12 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.093 0.341 18717 6753 1 12 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.608 -3.753 18717 6754 1 12 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.250 0.609 18717 6755 1 12 . 1 1 93 93 LEU H H 93 7.297 7.297 7.731 -0.434 18717 6756 1 12 . 1 1 94 94 GLN N N 94 121.536 121.536 115.928 5.608 18717 6757 1 12 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.435 -0.267 18717 6758 1 12 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.135 0.956 18717 6759 1 12 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.822 -2.659 18717 6760 1 12 . 1 1 94 94 GLN H H 94 8.675 8.675 8.162 0.513 18717 6761 1 12 . 1 1 95 95 ASP N N 95 123.380 123.380 125.866 -2.486 18717 6762 1 12 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.323 -0.439 18717 6763 1 12 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.862 1.631 18717 6764 1 12 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.996 -0.816 18717 6765 1 12 . 1 1 95 95 ASP H H 95 8.804 8.804 8.890 -0.086 18717 6766 1 12 . 1 1 96 96 ARG N N 96 115.337 115.337 116.460 -1.123 18717 6767 1 12 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.374 -0.285 18717 6768 1 12 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.524 1.283 18717 6769 1 12 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.808 -0.377 18717 6770 1 12 . 1 1 96 96 ARG H H 96 8.652 8.652 7.730 0.922 18717 6771 1 12 . 1 1 97 97 LEU N N 97 118.485 118.485 121.741 -3.256 18717 6772 1 12 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.099 0.291 18717 6773 1 12 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.813 -1.403 18717 6774 1 12 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.289 1.805 18717 6775 1 12 . 1 1 97 97 LEU H H 97 7.776 7.776 7.640 0.136 18717 6776 1 12 . 1 1 98 98 ARG N N 98 119.863 119.863 112.632 7.231 18717 6777 1 12 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.146 -0.237 18717 6778 1 12 . 1 1 98 98 ARG CA C 98 62.291 62.291 55.661 6.630 18717 6779 1 12 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.606 0.219 18717 6780 1 12 . 1 1 98 98 ARG H H 98 7.553 7.553 7.678 -0.125 18717 6781 1 12 . 1 1 100 100 SER N N 100 111.387 111.387 116.755 -5.368 18717 6782 1 12 . 1 1 100 100 SER HA H 100 4.360 4.360 4.444 -0.084 18717 6783 1 12 . 1 1 100 100 SER CA C 100 59.923 59.923 58.845 1.078 18717 6784 1 12 . 1 1 100 100 SER CB C 100 63.304 63.304 64.147 -0.843 18717 6785 1 12 . 1 1 100 100 SER H H 100 7.616 7.616 8.583 -0.967 18717 6786 1 12 . 1 1 101 101 PHE N N 101 123.367 123.367 122.860 0.507 18717 6787 1 12 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.050 -0.344 18717 6788 1 12 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.716 1.000 18717 6789 1 12 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.663 -0.018 18717 6790 1 12 . 1 1 101 101 PHE H H 101 7.722 7.722 8.279 -0.557 18717 6791 1 12 . 1 1 102 102 ALA N N 102 117.466 117.466 118.313 -0.847 18717 6792 1 12 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.110 -0.234 18717 6793 1 12 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.619 -0.081 18717 6794 1 12 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.178 -0.048 18717 6795 1 12 . 1 1 102 102 ALA H H 102 8.525 8.525 8.819 -0.294 18717 6796 1 12 . 1 1 103 103 LYS N N 103 115.077 115.077 115.647 -0.570 18717 6797 1 12 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.341 -0.277 18717 6798 1 12 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.270 -0.534 18717 6799 1 12 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.098 -1.051 18717 6800 1 12 . 1 1 103 103 LYS H H 103 7.000 7.000 7.919 -0.919 18717 6801 1 12 . 1 1 104 104 ALA N N 104 119.948 119.948 121.797 -1.849 18717 6802 1 12 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.438 -0.630 18717 6803 1 12 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.280 0.719 18717 6804 1 12 . 1 1 104 104 ALA CB C 104 17.915 17.915 19.113 -1.198 18717 6805 1 12 . 1 1 104 104 ALA H H 104 7.955 7.955 7.750 0.205 18717 6806 1 12 . 1 1 105 105 ILE N N 105 116.011 116.011 120.472 -4.461 18717 6807 1 12 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.910 -0.461 18717 6808 1 12 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.327 -1.128 18717 6809 1 12 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.221 -2.224 18717 6810 1 12 . 1 1 105 105 ILE H H 105 7.030 7.030 8.562 -1.532 18717 6811 1 12 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.491 -0.458 18717 6812 1 12 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.844 0.078 18717 6813 1 12 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.010 -0.047 18717 6814 1 12 . 1 1 107 107 CYS N N 107 115.533 115.533 115.005 0.528 18717 6815 1 12 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.411 -0.537 18717 6816 1 12 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.121 0.816 18717 6817 1 12 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.309 0.595 18717 6818 1 12 . 1 1 107 107 CYS H H 107 6.558 6.558 8.050 -1.492 18717 6819 1 12 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.425 -0.572 18717 6820 1 12 . 1 1 109 109 ARG N N 109 120.576 120.576 117.405 3.171 18717 6821 1 12 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.340 0.052 18717 6822 1 12 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.245 0.216 18717 6823 1 12 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.771 0.496 18717 6824 1 12 . 1 1 109 109 ARG H H 109 8.507 8.507 7.867 0.640 18717 6825 1 12 . 1 1 110 110 HIS N N 110 122.218 122.218 123.289 -1.071 18717 6826 1 12 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.384 -0.298 18717 6827 1 12 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.418 1.340 18717 6828 1 12 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.977 0.918 18717 6829 1 12 . 1 1 110 110 HIS H H 110 7.998 7.998 8.407 -0.409 18717 6830 1 12 . 1 1 111 111 ILE N N 111 105.612 105.612 111.493 -5.881 18717 6831 1 12 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.414 -0.084 18717 6832 1 12 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.175 -0.582 18717 6833 1 12 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.437 -1.487 18717 6834 1 12 . 1 1 111 111 ILE H H 111 6.904 6.904 7.517 -0.613 18717 6835 1 12 . 1 1 112 112 ARG N N 112 114.782 114.782 118.252 -3.470 18717 6836 1 12 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.030 -0.129 18717 6837 1 12 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.088 0.227 18717 6838 1 12 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.796 -0.556 18717 6839 1 12 . 1 1 112 112 ARG H H 112 7.660 7.660 8.183 -0.523 18717 6840 1 12 . 1 1 113 113 ARG N N 113 114.996 114.996 117.793 -2.797 18717 6841 1 12 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.508 -0.258 18717 6842 1 12 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.578 -0.924 18717 6843 1 12 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.981 0.141 18717 6844 1 12 . 1 1 113 113 ARG H H 113 8.149 8.149 7.777 0.372 18717 6845 1 12 . 1 1 114 114 ILE N N 114 112.019 112.019 110.861 1.158 18717 6846 1 12 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.001 -0.127 18717 6847 1 12 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.397 -2.795 18717 6848 1 12 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.527 0.873 18717 6849 1 12 . 1 1 114 114 ILE H H 114 6.810 6.810 7.360 -0.550 18717 6850 1 12 . 1 1 115 115 ARG N N 115 122.894 122.894 118.908 3.986 18717 6851 1 12 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.718 -0.361 18717 6852 1 12 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.480 -0.368 18717 6853 1 12 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.951 -1.893 18717 6854 1 12 . 1 1 115 115 ARG H H 115 8.822 8.822 8.245 0.577 18717 6855 1 12 . 1 1 116 116 GLU N N 116 118.962 118.962 118.681 0.281 18717 6856 1 12 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.805 0.510 18717 6857 1 12 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.612 -1.510 18717 6858 1 12 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.670 3.264 18717 6859 1 12 . 1 1 116 116 GLU H H 116 8.329 8.329 8.328 0.001 18717 6860 1 12 . 1 1 117 117 GLU N N 117 124.627 124.627 124.992 -0.365 18717 6861 1 12 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.572 -0.041 18717 6862 1 12 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.985 0.127 18717 6863 1 12 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.790 1.543 18717 6864 1 12 . 1 1 117 117 GLU H H 117 9.028 9.028 8.170 0.858 18717 6865 1 12 . 1 1 118 118 ARG N N 118 127.916 127.916 128.947 -1.031 18717 6866 1 12 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.293 0.319 18717 6867 1 12 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.710 0.083 18717 6868 1 12 . 1 1 118 118 ARG CB C 118 30.141 30.141 28.939 1.202 18717 6869 1 12 . 1 1 118 118 ARG H H 118 8.952 8.952 8.688 0.264 18717 6870 1 12 . 1 1 119 119 CYS N N 119 126.785 126.785 127.939 -1.154 18717 6871 1 12 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.660 -0.002 18717 6872 1 12 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.726 -1.278 18717 6873 1 12 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.010 1.182 18717 6874 1 12 . 1 1 119 119 CYS H H 119 8.831 8.831 8.164 0.667 18717 6875 1 12 . 1 1 120 120 GLY N N 120 117.456 117.456 113.545 3.911 18717 6876 1 12 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.409 -0.897 18717 6877 1 12 . 1 1 120 120 GLY H H 120 8.873 8.873 8.143 0.730 18717 6878 1 12 . 1 1 122 122 LEU N N 122 121.777 121.777 117.553 4.224 18717 6879 1 12 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.570 -0.132 18717 6880 1 12 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.469 0.140 18717 6881 1 12 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.978 0.001 18717 6882 1 12 . 1 1 122 122 LEU H H 122 7.270 7.270 7.283 -0.013 18717 6883 1 12 . 1 1 123 123 THR N N 123 118.668 118.668 113.602 5.066 18717 6884 1 12 . 1 1 123 123 THR HA H 123 4.407 4.407 4.700 -0.293 18717 6885 1 12 . 1 1 123 123 THR CA C 123 61.769 61.769 61.842 -0.073 18717 6886 1 12 . 1 1 123 123 THR CB C 123 69.263 69.263 71.030 -1.767 18717 6887 1 12 . 1 1 123 123 THR H H 123 7.649 7.649 7.885 -0.236 18717 6888 1 12 . 1 1 124 124 PHE N N 124 125.265 125.265 123.522 1.743 18717 6889 1 12 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.335 -1.064 18717 6890 1 12 . 1 1 124 124 PHE CA C 124 56.587 56.587 54.998 1.589 18717 6891 1 12 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.479 0.549 18717 6892 1 12 . 1 1 124 124 PHE H H 124 8.553 8.553 8.321 0.232 18717 6893 1 12 . 1 1 125 125 TYR N N 125 118.544 118.544 116.033 2.511 18717 6894 1 12 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.678 0.608 18717 6895 1 12 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.509 -0.759 18717 6896 1 12 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.443 -0.325 18717 6897 1 12 . 1 1 125 125 TYR H H 125 8.616 8.616 8.104 0.512 18717 6898 1 12 . 1 1 126 126 TYR N N 126 115.848 115.848 118.423 -2.575 18717 6899 1 12 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.451 -0.191 18717 6900 1 12 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.066 0.862 18717 6901 1 12 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.745 -1.803 18717 6902 1 12 . 1 1 126 126 TYR H H 126 8.357 8.357 7.524 0.833 18717 6903 1 12 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.535 0.087 18717 6904 1 12 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.947 -0.018 18717 6905 1 12 . 1 1 128 128 GLY N N 128 108.039 108.039 113.337 -5.298 18717 6906 1 12 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.932 -1.226 18717 6907 1 12 . 1 1 128 128 GLY H H 128 7.730 7.730 8.034 -0.304 18717 6908 1 12 . 1 1 129 129 SER N N 129 114.228 114.228 119.315 -5.087 18717 6909 1 12 . 1 1 129 129 SER HA H 129 4.438 4.438 4.737 -0.299 18717 6910 1 12 . 1 1 129 129 SER CA C 129 57.566 57.566 57.739 -0.173 18717 6911 1 12 . 1 1 129 129 SER CB C 129 63.772 63.772 66.008 -2.236 18717 6912 1 12 . 1 1 129 129 SER H H 129 8.102 8.102 8.605 -0.503 18717 6913 1 13 . 1 1 3 3 ASP N N 3 120.763 120.763 121.164 -0.401 18717 6914 1 13 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.904 -0.417 18717 6915 1 13 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.769 0.362 18717 6916 1 13 . 1 1 3 3 ASP CB C 3 40.887 40.887 41.980 -1.093 18717 6917 1 13 . 1 1 3 3 ASP H H 3 8.327 8.327 8.628 -0.301 18717 6918 1 13 . 1 1 4 4 ILE N N 4 121.147 121.147 117.679 3.468 18717 6919 1 13 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.398 -0.353 18717 6920 1 13 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.416 1.307 18717 6921 1 13 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.156 -1.696 18717 6922 1 13 . 1 1 4 4 ILE H H 4 7.971 7.971 8.041 -0.070 18717 6923 1 13 . 1 1 5 5 ARG N N 5 123.685 123.685 121.969 1.716 18717 6924 1 13 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.175 0.296 18717 6925 1 13 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.481 -3.062 18717 6926 1 13 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.305 -0.163 18717 6927 1 13 . 1 1 5 5 ARG H H 5 8.067 8.067 8.524 -0.457 18717 6928 1 13 . 1 1 6 6 ILE N N 6 124.881 124.881 121.714 3.167 18717 6929 1 13 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.117 -0.334 18717 6930 1 13 . 1 1 6 6 ILE CA C 6 63.441 63.441 62.278 1.163 18717 6931 1 13 . 1 1 6 6 ILE CB C 6 38.184 38.184 38.781 -0.597 18717 6932 1 13 . 1 1 6 6 ILE H H 6 9.083 9.083 8.888 0.195 18717 6933 1 13 . 1 1 7 7 VAL N N 7 120.527 120.527 112.793 7.734 18717 6934 1 13 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.545 -0.454 18717 6935 1 13 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.366 0.299 18717 6936 1 13 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.899 -2.207 18717 6937 1 13 . 1 1 7 7 VAL H H 7 9.067 9.067 7.517 1.550 18717 6938 1 13 . 1 1 9 9 GLN N N 9 120.479 120.479 118.890 1.589 18717 6939 1 13 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.214 -0.354 18717 6940 1 13 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.017 -0.118 18717 6941 1 13 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.213 0.609 18717 6942 1 13 . 1 1 9 9 GLN H H 9 8.305 8.305 8.415 -0.110 18717 6943 1 13 . 1 1 10 10 ILE N N 10 125.746 125.746 117.517 8.229 18717 6944 1 13 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.533 -0.483 18717 6945 1 13 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.920 0.367 18717 6946 1 13 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.323 -2.173 18717 6947 1 13 . 1 1 10 10 ILE H H 10 10.040 10.040 8.298 1.742 18717 6948 1 13 . 1 1 11 11 THR HA H 11 4.459 4.459 4.453 0.006 18717 6949 1 13 . 1 1 11 11 THR CA C 11 60.124 60.124 60.068 0.056 18717 6950 1 13 . 1 1 11 11 THR CB C 11 71.036 71.036 69.739 1.297 18717 6951 1 13 . 1 1 12 12 ASP N N 12 121.634 121.634 120.274 1.360 18717 6952 1 13 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.476 -0.243 18717 6953 1 13 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.532 0.259 18717 6954 1 13 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.760 0.085 18717 6955 1 13 . 1 1 12 12 ASP H H 12 8.892 8.892 8.765 0.127 18717 6956 1 13 . 1 1 13 13 GLU N N 13 117.207 117.207 116.910 0.297 18717 6957 1 13 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.194 -0.345 18717 6958 1 13 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.197 1.486 18717 6959 1 13 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.656 -0.501 18717 6960 1 13 . 1 1 13 13 GLU H H 13 8.421 8.421 8.525 -0.104 18717 6961 1 13 . 1 1 14 14 GLU N N 14 118.579 118.579 117.698 0.881 18717 6962 1 13 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.399 -0.422 18717 6963 1 13 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.895 1.598 18717 6964 1 13 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.328 1.087 18717 6965 1 13 . 1 1 14 14 GLU H H 14 7.647 7.647 7.792 -0.145 18717 6966 1 13 . 1 1 15 15 PHE N N 15 122.867 122.867 121.835 1.032 18717 6967 1 13 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.300 -0.455 18717 6968 1 13 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.191 -0.185 18717 6969 1 13 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.376 0.481 18717 6970 1 13 . 1 1 15 15 PHE H H 15 8.823 8.823 8.993 -0.170 18717 6971 1 13 . 1 1 16 16 LYS N N 16 115.192 115.192 116.274 -1.082 18717 6972 1 13 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.050 -0.087 18717 6973 1 13 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.898 0.188 18717 6974 1 13 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.246 1.362 18717 6975 1 13 . 1 1 16 16 LYS H H 16 7.742 7.742 7.635 0.107 18717 6976 1 13 . 1 1 17 17 THR N N 17 108.709 108.709 114.073 -5.364 18717 6977 1 13 . 1 1 17 17 THR HA H 17 4.269 4.269 4.234 0.035 18717 6978 1 13 . 1 1 17 17 THR CA C 17 61.767 61.767 63.961 -2.194 18717 6979 1 13 . 1 1 17 17 THR CB C 17 69.956 69.956 69.505 0.451 18717 6980 1 13 . 1 1 17 17 THR H H 17 7.518 7.518 7.801 -0.283 18717 6981 1 13 . 1 1 18 18 ILE N N 18 124.707 124.707 122.370 2.337 18717 6982 1 13 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.380 -0.768 18717 6983 1 13 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.941 1.460 18717 6984 1 13 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.027 -0.744 18717 6985 1 13 . 1 1 18 18 ILE H H 18 7.063 7.063 7.106 -0.043 18717 6986 1 13 . 1 1 20 20 LYS N N 20 124.646 124.646 121.535 3.111 18717 6987 1 13 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.940 -0.231 18717 6988 1 13 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.982 0.198 18717 6989 1 13 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.524 -0.085 18717 6990 1 13 . 1 1 20 20 LYS H H 20 8.639 8.639 8.853 -0.214 18717 6991 1 13 . 1 1 21 21 TYR N N 21 115.093 115.093 118.179 -3.086 18717 6992 1 13 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.266 0.048 18717 6993 1 13 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.285 -1.371 18717 6994 1 13 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.747 -1.570 18717 6995 1 13 . 1 1 21 21 TYR H H 21 7.897 7.897 8.220 -0.323 18717 6996 1 13 . 1 1 22 22 GLN N N 22 119.745 119.745 116.812 2.933 18717 6997 1 13 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.293 -0.367 18717 6998 1 13 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.628 -0.022 18717 6999 1 13 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.671 -0.206 18717 7000 1 13 . 1 1 22 22 GLN H H 22 6.759 6.759 7.969 -1.210 18717 7001 1 13 . 1 1 23 23 LEU N N 23 118.619 118.619 118.022 0.597 18717 7002 1 13 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.040 -0.188 18717 7003 1 13 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.814 -0.245 18717 7004 1 13 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.263 1.327 18717 7005 1 13 . 1 1 23 23 LEU H H 23 7.115 7.115 7.635 -0.520 18717 7006 1 13 . 1 1 24 24 GLY N N 24 103.606 103.606 108.042 -4.436 18717 7007 1 13 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.692 0.231 18717 7008 1 13 . 1 1 24 24 GLY H H 24 7.541 7.541 8.201 -0.660 18717 7009 1 13 . 1 1 25 25 ARG N N 25 126.033 126.033 122.815 3.218 18717 7010 1 13 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.593 -0.313 18717 7011 1 13 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.456 -0.083 18717 7012 1 13 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.830 -0.884 18717 7013 1 13 . 1 1 25 25 ARG H H 25 8.850 8.850 8.225 0.625 18717 7014 1 13 . 1 1 26 26 LEU N N 26 121.287 121.287 122.651 -1.364 18717 7015 1 13 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.749 -0.491 18717 7016 1 13 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.370 2.226 18717 7017 1 13 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.457 -1.712 18717 7018 1 13 . 1 1 26 26 LEU H H 26 8.017 8.017 7.487 0.530 18717 7019 1 13 . 1 1 27 27 THR N N 27 110.943 110.943 109.076 1.867 18717 7020 1 13 . 1 1 27 27 THR HA H 27 4.626 4.626 4.450 0.176 18717 7021 1 13 . 1 1 27 27 THR CA C 27 58.272 58.272 59.992 -1.720 18717 7022 1 13 . 1 1 27 27 THR H H 27 7.129 7.129 7.862 -0.733 18717 7023 1 13 . 1 1 28 28 LEU N N 28 124.601 124.601 122.647 1.954 18717 7024 1 13 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.334 -0.107 18717 7025 1 13 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.000 -1.166 18717 7026 1 13 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.733 -1.821 18717 7027 1 13 . 1 1 28 28 LEU H H 28 8.404 8.404 8.255 0.149 18717 7028 1 13 . 1 1 29 29 GLU N N 29 117.021 117.021 118.776 -1.755 18717 7029 1 13 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.946 -0.060 18717 7030 1 13 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.588 0.379 18717 7031 1 13 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.175 -0.362 18717 7032 1 13 . 1 1 29 29 GLU H H 29 8.361 8.361 8.616 -0.255 18717 7033 1 13 . 1 1 30 30 MET N N 30 119.159 119.159 118.096 1.063 18717 7034 1 13 . 1 1 30 30 MET HA H 30 3.999 3.999 4.320 -0.321 18717 7035 1 13 . 1 1 30 30 MET CA C 30 58.946 58.946 58.906 0.040 18717 7036 1 13 . 1 1 30 30 MET CB C 30 31.941 31.941 32.738 -0.797 18717 7037 1 13 . 1 1 30 30 MET H H 30 7.541 7.541 7.330 0.211 18717 7038 1 13 . 1 1 31 31 MET N N 31 117.316 117.316 117.927 -0.611 18717 7039 1 13 . 1 1 31 31 MET HA H 31 3.833 3.833 4.056 -0.223 18717 7040 1 13 . 1 1 31 31 MET CA C 31 58.966 58.966 59.089 -0.123 18717 7041 1 13 . 1 1 31 31 MET CB C 31 32.253 32.253 32.357 -0.104 18717 7042 1 13 . 1 1 31 31 MET H H 31 8.310 8.310 8.164 0.146 18717 7043 1 13 . 1 1 32 32 ASN N N 32 116.639 116.639 119.360 -2.721 18717 7044 1 13 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.406 0.552 18717 7045 1 13 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.829 -2.554 18717 7046 1 13 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.452 -1.537 18717 7047 1 13 . 1 1 32 32 ASN H H 32 8.728 8.728 8.596 0.132 18717 7048 1 13 . 1 1 33 33 GLU N N 33 125.338 125.338 119.051 6.287 18717 7049 1 13 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.142 0.044 18717 7050 1 13 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.656 0.855 18717 7051 1 13 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.474 -0.246 18717 7052 1 13 . 1 1 33 33 GLU H H 33 7.918 7.918 7.940 -0.022 18717 7053 1 13 . 1 1 34 34 ILE N N 34 119.962 119.962 121.265 -1.303 18717 7054 1 13 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.607 -0.136 18717 7055 1 13 . 1 1 34 34 ILE CA C 34 65.794 65.794 64.976 0.818 18717 7056 1 13 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.895 0.027 18717 7057 1 13 . 1 1 34 34 ILE H H 34 7.576 7.576 7.450 0.126 18717 7058 1 13 . 1 1 35 35 VAL N N 35 119.021 119.021 118.743 0.278 18717 7059 1 13 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.854 -0.279 18717 7060 1 13 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.675 0.470 18717 7061 1 13 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.251 0.248 18717 7062 1 13 . 1 1 35 35 VAL H H 35 8.657 8.657 8.501 0.156 18717 7063 1 13 . 1 1 36 36 SER N N 36 114.977 114.977 115.634 -0.657 18717 7064 1 13 . 1 1 36 36 SER HA H 36 4.171 4.171 4.512 -0.341 18717 7065 1 13 . 1 1 36 36 SER CA C 36 61.604 61.604 61.036 0.568 18717 7066 1 13 . 1 1 36 36 SER CB C 36 62.415 62.415 63.231 -0.816 18717 7067 1 13 . 1 1 36 36 SER H H 36 8.175 8.175 7.769 0.406 18717 7068 1 13 . 1 1 37 37 LYS N N 37 119.000 119.000 122.072 -3.072 18717 7069 1 13 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.111 0.066 18717 7070 1 13 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.345 -1.190 18717 7071 1 13 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.297 -1.917 18717 7072 1 13 . 1 1 37 37 LYS H H 37 7.283 7.283 7.873 -0.590 18717 7073 1 13 . 1 1 38 38 MET N N 38 119.061 119.061 116.567 2.494 18717 7074 1 13 . 1 1 38 38 MET HA H 38 3.430 3.430 3.794 -0.364 18717 7075 1 13 . 1 1 38 38 MET CA C 38 59.676 59.676 59.696 -0.020 18717 7076 1 13 . 1 1 38 38 MET CB C 38 31.961 31.961 32.106 -0.145 18717 7077 1 13 . 1 1 38 38 MET H H 38 7.740 7.740 8.015 -0.275 18717 7078 1 13 . 1 1 39 39 ASP N N 39 118.445 118.445 119.118 -0.673 18717 7079 1 13 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.417 -0.327 18717 7080 1 13 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.264 1.509 18717 7081 1 13 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.492 2.650 18717 7082 1 13 . 1 1 39 39 ASP H H 39 8.603 8.603 8.044 0.559 18717 7083 1 13 . 1 1 40 40 ASP N N 40 117.427 117.427 120.798 -3.371 18717 7084 1 13 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.367 -0.178 18717 7085 1 13 . 1 1 40 40 ASP CA C 40 57.327 57.327 56.896 0.431 18717 7086 1 13 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.792 0.249 18717 7087 1 13 . 1 1 40 40 ASP H H 40 8.397 8.397 7.615 0.782 18717 7088 1 13 . 1 1 41 41 PHE N N 41 119.507 119.507 120.065 -0.558 18717 7089 1 13 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.269 -0.298 18717 7090 1 13 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.574 1.588 18717 7091 1 13 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.132 0.367 18717 7092 1 13 . 1 1 41 41 PHE H H 41 8.248 8.248 7.882 0.366 18717 7093 1 13 . 1 1 42 42 LEU N N 42 118.072 118.072 119.934 -1.862 18717 7094 1 13 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.102 -0.377 18717 7095 1 13 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.691 -0.523 18717 7096 1 13 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.302 0.347 18717 7097 1 13 . 1 1 42 42 LEU H H 42 8.203 8.203 8.212 -0.009 18717 7098 1 13 . 1 1 43 43 MET N N 43 121.878 121.878 119.255 2.623 18717 7099 1 13 . 1 1 43 43 MET HA H 43 4.063 4.063 4.317 -0.254 18717 7100 1 13 . 1 1 43 43 MET CA C 43 57.664 57.664 57.376 0.289 18717 7101 1 13 . 1 1 43 43 MET CB C 43 30.833 30.833 32.233 -1.400 18717 7102 1 13 . 1 1 43 43 MET H H 43 9.073 9.073 8.286 0.787 18717 7103 1 13 . 1 1 44 44 LYS N N 44 122.276 122.276 119.017 3.259 18717 7104 1 13 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.091 -0.226 18717 7105 1 13 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.462 0.022 18717 7106 1 13 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.200 -0.675 18717 7107 1 13 . 1 1 44 44 LYS H H 44 7.678 7.678 7.902 -0.224 18717 7108 1 13 . 1 1 46 46 SER N N 46 113.504 113.504 113.533 -0.029 18717 7109 1 13 . 1 1 46 46 SER HA H 46 3.744 3.744 4.114 -0.370 18717 7110 1 13 . 1 1 46 46 SER CA C 46 61.358 61.358 61.404 -0.046 18717 7111 1 13 . 1 1 46 46 SER CB C 46 62.674 62.674 63.111 -0.437 18717 7112 1 13 . 1 1 46 46 SER H H 46 8.467 8.467 8.137 0.330 18717 7113 1 13 . 1 1 47 47 LYS N N 47 120.235 120.235 121.398 -1.163 18717 7114 1 13 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.258 -0.303 18717 7115 1 13 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.172 0.642 18717 7116 1 13 . 1 1 47 47 LYS CB C 47 32.013 32.013 32.047 -0.034 18717 7117 1 13 . 1 1 47 47 LYS H H 47 7.659 7.659 7.540 0.119 18717 7118 1 13 . 1 1 48 48 ILE N N 48 120.699 120.699 118.747 1.952 18717 7119 1 13 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.953 -0.488 18717 7120 1 13 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.874 2.218 18717 7121 1 13 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.542 -0.595 18717 7122 1 13 . 1 1 48 48 ILE H H 48 7.803 7.803 7.416 0.387 18717 7123 1 13 . 1 1 49 49 LEU N N 49 118.686 118.686 118.302 0.384 18717 7124 1 13 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.141 -0.076 18717 7125 1 13 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.733 0.381 18717 7126 1 13 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.690 -0.097 18717 7127 1 13 . 1 1 49 49 LEU H H 49 8.671 8.671 7.751 0.920 18717 7128 1 13 . 1 1 50 50 GLY N N 50 103.264 103.264 105.674 -2.410 18717 7129 1 13 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.858 -0.312 18717 7130 1 13 . 1 1 50 50 GLY H H 50 7.422 7.422 7.797 -0.375 18717 7131 1 13 . 1 1 51 51 LYS N N 51 121.616 121.616 121.042 0.574 18717 7132 1 13 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.183 0.087 18717 7133 1 13 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.757 0.571 18717 7134 1 13 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.718 1.458 18717 7135 1 13 . 1 1 51 51 LYS H H 51 7.227 7.227 7.771 -0.544 18717 7136 1 13 . 1 1 52 52 THR N N 52 112.472 112.472 113.060 -0.588 18717 7137 1 13 . 1 1 52 52 THR HA H 52 4.363 4.363 4.486 -0.123 18717 7138 1 13 . 1 1 52 52 THR CA C 52 60.280 60.280 60.610 -0.330 18717 7139 1 13 . 1 1 52 52 THR CB C 52 69.989 69.989 71.245 -1.256 18717 7140 1 13 . 1 1 52 52 THR H H 52 8.298 8.298 7.994 0.304 18717 7141 1 13 . 1 1 53 53 ASN N N 53 118.660 118.660 121.613 -2.953 18717 7142 1 13 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.445 -0.182 18717 7143 1 13 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.837 0.729 18717 7144 1 13 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.003 0.187 18717 7145 1 13 . 1 1 53 53 ASN H H 53 8.739 8.739 8.843 -0.104 18717 7146 1 13 . 1 1 54 54 LYS N N 54 116.241 116.241 116.718 -0.477 18717 7147 1 13 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.128 -0.044 18717 7148 1 13 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.683 -0.132 18717 7149 1 13 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.352 0.026 18717 7150 1 13 . 1 1 54 54 LYS H H 54 7.949 7.949 7.975 -0.026 18717 7151 1 13 . 1 1 55 55 GLN N N 55 116.389 116.389 116.980 -0.591 18717 7152 1 13 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.274 -0.091 18717 7153 1 13 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.063 -0.442 18717 7154 1 13 . 1 1 55 55 GLN CB C 55 30.523 30.523 30.082 0.441 18717 7155 1 13 . 1 1 55 55 GLN H H 55 7.492 7.492 7.647 -0.155 18717 7156 1 13 . 1 1 56 56 LEU N N 56 120.014 120.014 121.427 -1.413 18717 7157 1 13 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.239 0.208 18717 7158 1 13 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.820 -0.495 18717 7159 1 13 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.364 0.660 18717 7160 1 13 . 1 1 56 56 LEU H H 56 7.137 7.137 8.039 -0.902 18717 7161 1 13 . 1 1 57 57 THR N N 57 115.673 115.673 119.488 -3.815 18717 7162 1 13 . 1 1 57 57 THR HA H 57 4.491 4.491 4.652 -0.161 18717 7163 1 13 . 1 1 57 57 THR CA C 57 59.638 59.638 60.314 -0.676 18717 7164 1 13 . 1 1 57 57 THR CB C 57 71.233 71.233 71.919 -0.686 18717 7165 1 13 . 1 1 57 57 THR H H 57 8.986 8.986 8.738 0.248 18717 7166 1 13 . 1 1 58 58 ARG N N 58 121.180 121.180 122.013 -0.833 18717 7167 1 13 . 1 1 58 58 ARG HA H 58 3.877 3.877 3.979 -0.102 18717 7168 1 13 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.398 -0.581 18717 7169 1 13 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.246 -0.915 18717 7170 1 13 . 1 1 58 58 ARG H H 58 8.783 8.783 8.868 -0.085 18717 7171 1 13 . 1 1 59 59 SER N N 59 113.863 113.863 114.367 -0.504 18717 7172 1 13 . 1 1 59 59 SER HA H 59 4.116 4.116 4.092 0.024 18717 7173 1 13 . 1 1 59 59 SER CA C 59 60.988 60.988 61.457 -0.469 18717 7174 1 13 . 1 1 59 59 SER CB C 59 62.156 62.156 62.730 -0.574 18717 7175 1 13 . 1 1 59 59 SER H H 59 8.198 8.198 8.530 -0.332 18717 7176 1 13 . 1 1 60 60 ASP N N 60 122.780 122.780 120.751 2.029 18717 7177 1 13 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.581 -0.529 18717 7178 1 13 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.510 0.028 18717 7179 1 13 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.496 1.482 18717 7180 1 13 . 1 1 60 60 ASP H H 60 7.623 7.623 7.898 -0.275 18717 7181 1 13 . 1 1 61 61 ARG N N 61 117.219 117.219 120.244 -3.025 18717 7182 1 13 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.129 -0.410 18717 7183 1 13 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.484 0.052 18717 7184 1 13 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.586 -0.982 18717 7185 1 13 . 1 1 61 61 ARG H H 61 7.966 7.966 7.801 0.165 18717 7186 1 13 . 1 1 62 62 GLU N N 62 118.341 118.341 120.194 -1.853 18717 7187 1 13 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.040 -0.098 18717 7188 1 13 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.400 -0.364 18717 7189 1 13 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.900 0.583 18717 7190 1 13 . 1 1 62 62 GLU H H 62 7.556 7.556 8.520 -0.964 18717 7191 1 13 . 1 1 63 63 VAL N N 63 116.650 116.650 116.843 -0.193 18717 7192 1 13 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.428 0.153 18717 7193 1 13 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.193 0.424 18717 7194 1 13 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.456 -0.175 18717 7195 1 13 . 1 1 63 63 VAL H H 63 7.398 7.398 7.453 -0.055 18717 7196 1 13 . 1 1 64 64 LEU N N 64 121.502 121.502 121.778 -0.276 18717 7197 1 13 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.242 -0.534 18717 7198 1 13 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.723 -0.856 18717 7199 1 13 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.246 0.690 18717 7200 1 13 . 1 1 64 64 LEU H H 64 7.889 7.889 7.708 0.181 18717 7201 1 13 . 1 1 65 65 ASP N N 65 119.200 119.200 118.416 0.784 18717 7202 1 13 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.363 0.029 18717 7203 1 13 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.764 -0.501 18717 7204 1 13 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.810 -1.085 18717 7205 1 13 . 1 1 65 65 ASP H H 65 7.846 7.846 8.000 -0.154 18717 7206 1 13 . 1 1 66 66 ASN N N 66 120.252 120.252 119.526 0.726 18717 7207 1 13 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.544 -0.041 18717 7208 1 13 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.564 0.526 18717 7209 1 13 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.420 -0.401 18717 7210 1 13 . 1 1 66 66 ASN H H 66 7.480 7.480 7.554 -0.074 18717 7211 1 13 . 1 1 67 67 TRP N N 67 122.830 122.830 120.590 2.240 18717 7212 1 13 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.517 -0.018 18717 7213 1 13 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.731 -2.444 18717 7214 1 13 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.848 -0.784 18717 7215 1 13 . 1 1 67 67 TRP H H 67 8.730 8.730 8.461 0.269 18717 7216 1 13 . 1 1 68 68 ARG N N 68 120.279 120.279 117.133 3.146 18717 7217 1 13 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.525 0.318 18717 7218 1 13 . 1 1 68 68 ARG CA C 68 58.177 58.177 59.647 -1.470 18717 7219 1 13 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.939 -1.633 18717 7220 1 13 . 1 1 68 68 ARG H H 68 7.976 7.976 8.120 -0.144 18717 7221 1 13 . 1 1 69 69 GLU N N 69 121.656 121.656 121.194 0.462 18717 7222 1 13 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.216 0.066 18717 7223 1 13 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.089 0.216 18717 7224 1 13 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.272 0.710 18717 7225 1 13 . 1 1 69 69 GLU H H 69 8.676 8.676 7.881 0.795 18717 7226 1 13 . 1 1 70 70 LEU N N 70 120.066 120.066 117.064 3.002 18717 7227 1 13 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.315 -0.180 18717 7228 1 13 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.029 -0.028 18717 7229 1 13 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.483 0.887 18717 7230 1 13 . 1 1 70 70 LEU H H 70 7.963 7.963 7.981 -0.018 18717 7231 1 13 . 1 1 71 71 GLU N N 71 118.326 118.326 119.833 -1.507 18717 7232 1 13 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.391 -0.826 18717 7233 1 13 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.226 0.092 18717 7234 1 13 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.186 -0.017 18717 7235 1 13 . 1 1 71 71 GLU H H 71 8.278 8.278 8.218 0.060 18717 7236 1 13 . 1 1 72 72 MET N N 72 117.881 117.881 115.561 2.320 18717 7237 1 13 . 1 1 72 72 MET HA H 72 4.163 4.163 4.594 -0.431 18717 7238 1 13 . 1 1 72 72 MET CA C 72 57.906 57.906 57.685 0.221 18717 7239 1 13 . 1 1 72 72 MET CB C 72 32.006 32.006 33.578 -1.571 18717 7240 1 13 . 1 1 72 72 MET H H 72 7.966 7.966 7.839 0.127 18717 7241 1 13 . 1 1 73 73 LYS N N 73 119.844 119.844 118.185 1.659 18717 7242 1 13 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.298 -0.241 18717 7243 1 13 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.594 0.523 18717 7244 1 13 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.132 0.261 18717 7245 1 13 . 1 1 73 73 LYS H H 73 7.959 7.959 7.863 0.096 18717 7246 1 13 . 1 1 74 74 ALA N N 74 120.588 120.588 120.999 -0.411 18717 7247 1 13 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.292 -0.275 18717 7248 1 13 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.326 0.784 18717 7249 1 13 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.071 -0.575 18717 7250 1 13 . 1 1 74 74 ALA H H 74 7.504 7.504 7.438 0.066 18717 7251 1 13 . 1 1 75 75 ARG N N 75 111.895 111.895 116.879 -4.984 18717 7252 1 13 . 1 1 75 75 ARG HA H 75 3.805 3.805 4.006 -0.201 18717 7253 1 13 . 1 1 75 75 ARG CA C 75 57.373 57.373 56.996 0.377 18717 7254 1 13 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.614 -0.218 18717 7255 1 13 . 1 1 75 75 ARG H H 75 7.550 7.550 7.684 -0.134 18717 7256 1 13 . 1 1 76 76 LYS N N 76 114.585 114.585 118.734 -4.149 18717 7257 1 13 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.312 -0.198 18717 7258 1 13 . 1 1 76 76 LYS CA C 76 55.502 55.502 56.536 -1.034 18717 7259 1 13 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.806 -2.530 18717 7260 1 13 . 1 1 76 76 LYS H H 76 7.810 7.810 8.133 -0.323 18717 7261 1 13 . 1 1 77 77 ARG N N 77 119.199 119.199 125.142 -5.943 18717 7262 1 13 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.237 -0.189 18717 7263 1 13 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.596 0.094 18717 7264 1 13 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.545 0.931 18717 7265 1 13 . 1 1 77 77 ARG H H 77 7.916 7.916 8.484 -0.568 18717 7266 1 13 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.166 -0.003 18717 7267 1 13 . 1 1 80 80 THR N N 80 110.230 110.230 114.554 -4.324 18717 7268 1 13 . 1 1 80 80 THR HA H 80 4.526 4.526 4.181 0.345 18717 7269 1 13 . 1 1 80 80 THR CA C 80 58.081 58.081 61.633 -3.552 18717 7270 1 13 . 1 1 80 80 THR CB C 80 67.980 67.980 68.844 -0.864 18717 7271 1 13 . 1 1 80 80 THR H H 80 6.530 6.530 7.668 -1.138 18717 7272 1 13 . 1 1 81 81 THR N N 81 114.552 114.552 113.846 0.706 18717 7273 1 13 . 1 1 81 81 THR HA H 81 4.260 4.260 3.808 0.452 18717 7274 1 13 . 1 1 81 81 THR CA C 81 61.767 61.767 62.531 -0.764 18717 7275 1 13 . 1 1 81 81 THR CB C 81 68.383 68.383 69.673 -1.290 18717 7276 1 13 . 1 1 81 81 THR H H 81 7.674 7.674 8.047 -0.373 18717 7277 1 13 . 1 1 82 82 LEU N N 82 127.155 127.155 124.899 2.256 18717 7278 1 13 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.177 -0.185 18717 7279 1 13 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.926 -1.212 18717 7280 1 13 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.581 -1.203 18717 7281 1 13 . 1 1 82 82 LEU H H 82 8.465 8.465 7.518 0.947 18717 7282 1 13 . 1 1 83 83 PHE N N 83 113.552 113.552 118.283 -4.731 18717 7283 1 13 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.552 0.370 18717 7284 1 13 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.855 -0.191 18717 7285 1 13 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.934 1.115 18717 7286 1 13 . 1 1 83 83 PHE H H 83 6.370 6.370 7.027 -0.657 18717 7287 1 13 . 1 1 84 84 PHE N N 84 116.628 116.628 113.926 2.702 18717 7288 1 13 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.050 0.225 18717 7289 1 13 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.218 -0.867 18717 7290 1 13 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.034 1.789 18717 7291 1 13 . 1 1 84 84 PHE H H 84 9.579 9.579 7.750 1.829 18717 7292 1 13 . 1 1 85 85 ILE N N 85 113.827 113.827 114.736 -0.909 18717 7293 1 13 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.214 -0.072 18717 7294 1 13 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.121 0.165 18717 7295 1 13 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.290 -0.003 18717 7296 1 13 . 1 1 85 85 ILE H H 85 9.410 9.410 8.401 1.009 18717 7297 1 13 . 1 1 86 86 GLU N N 86 124.724 124.724 124.846 -0.122 18717 7298 1 13 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.914 -0.289 18717 7299 1 13 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.533 0.183 18717 7300 1 13 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.564 -0.554 18717 7301 1 13 . 1 1 86 86 GLU H H 86 9.957 9.957 8.721 1.236 18717 7302 1 13 . 1 1 87 87 THR N N 87 106.336 106.336 110.971 -4.635 18717 7303 1 13 . 1 1 87 87 THR HA H 87 3.695 3.695 4.191 -0.496 18717 7304 1 13 . 1 1 87 87 THR CA C 87 63.680 63.680 64.622 -0.942 18717 7305 1 13 . 1 1 87 87 THR CB C 87 67.530 67.530 68.139 -0.610 18717 7306 1 13 . 1 1 87 87 THR H H 87 7.659 7.659 8.051 -0.392 18717 7307 1 13 . 1 1 88 88 ASP N N 88 119.814 119.814 119.826 -0.012 18717 7308 1 13 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.874 -0.660 18717 7309 1 13 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.148 1.350 18717 7310 1 13 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.839 -0.758 18717 7311 1 13 . 1 1 88 88 ASP H H 88 7.605 7.605 8.312 -0.707 18717 7312 1 13 . 1 1 89 89 ILE N N 89 113.246 113.246 118.451 -5.205 18717 7313 1 13 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.345 -0.531 18717 7314 1 13 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.432 -2.925 18717 7315 1 13 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.274 -2.474 18717 7316 1 13 . 1 1 89 89 ILE H H 89 6.538 6.538 7.379 -0.841 18717 7317 1 13 . 1 1 90 90 ARG N N 90 119.499 119.499 123.708 -4.209 18717 7318 1 13 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.238 -0.622 18717 7319 1 13 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.410 0.655 18717 7320 1 13 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.613 0.280 18717 7321 1 13 . 1 1 90 90 ARG H H 90 7.721 7.721 8.678 -0.957 18717 7322 1 13 . 1 1 92 92 MET N N 92 113.492 113.492 114.731 -1.239 18717 7323 1 13 . 1 1 92 92 MET HA H 92 4.175 4.175 4.462 -0.287 18717 7324 1 13 . 1 1 92 92 MET CA C 92 55.799 55.799 56.254 -0.455 18717 7325 1 13 . 1 1 92 92 MET CB C 92 33.950 33.950 34.803 -0.853 18717 7326 1 13 . 1 1 92 92 MET H H 92 7.549 7.549 7.937 -0.388 18717 7327 1 13 . 1 1 93 93 LEU N N 93 117.943 117.943 119.218 -1.275 18717 7328 1 13 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.103 0.331 18717 7329 1 13 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.393 -3.538 18717 7330 1 13 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.373 0.486 18717 7331 1 13 . 1 1 93 93 LEU H H 93 7.297 7.297 7.506 -0.209 18717 7332 1 13 . 1 1 94 94 GLN N N 94 121.536 121.536 116.465 5.071 18717 7333 1 13 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.434 -0.266 18717 7334 1 13 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.004 1.087 18717 7335 1 13 . 1 1 94 94 GLN CB C 94 29.163 29.163 32.111 -2.948 18717 7336 1 13 . 1 1 94 94 GLN H H 94 8.675 8.675 8.131 0.544 18717 7337 1 13 . 1 1 95 95 ASP N N 95 123.380 123.380 123.444 -0.064 18717 7338 1 13 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.390 -0.506 18717 7339 1 13 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.282 2.211 18717 7340 1 13 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.932 -0.752 18717 7341 1 13 . 1 1 95 95 ASP H H 95 8.804 8.804 8.783 0.021 18717 7342 1 13 . 1 1 96 96 ARG N N 96 115.337 115.337 116.497 -1.160 18717 7343 1 13 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.433 -0.344 18717 7344 1 13 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.049 1.758 18717 7345 1 13 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.076 -0.645 18717 7346 1 13 . 1 1 96 96 ARG H H 96 8.652 8.652 7.842 0.810 18717 7347 1 13 . 1 1 97 97 LEU N N 97 118.485 118.485 119.777 -1.292 18717 7348 1 13 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.090 0.300 18717 7349 1 13 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.961 -1.550 18717 7350 1 13 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.215 1.879 18717 7351 1 13 . 1 1 97 97 LEU H H 97 7.776 7.776 7.175 0.602 18717 7352 1 13 . 1 1 98 98 ARG N N 98 119.863 119.863 112.653 7.210 18717 7353 1 13 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.144 -0.235 18717 7354 1 13 . 1 1 98 98 ARG CA C 98 62.291 62.291 55.697 6.594 18717 7355 1 13 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.602 0.223 18717 7356 1 13 . 1 1 98 98 ARG H H 98 7.553 7.553 7.665 -0.112 18717 7357 1 13 . 1 1 100 100 SER N N 100 111.387 111.387 116.246 -4.859 18717 7358 1 13 . 1 1 100 100 SER HA H 100 4.360 4.360 4.466 -0.106 18717 7359 1 13 . 1 1 100 100 SER CA C 100 59.923 59.923 59.336 0.587 18717 7360 1 13 . 1 1 100 100 SER CB C 100 63.304 63.304 63.688 -0.384 18717 7361 1 13 . 1 1 100 100 SER H H 100 7.616 7.616 8.501 -0.885 18717 7362 1 13 . 1 1 101 101 PHE N N 101 123.367 123.367 123.340 0.027 18717 7363 1 13 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.066 -0.360 18717 7364 1 13 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.329 1.387 18717 7365 1 13 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.744 -0.099 18717 7366 1 13 . 1 1 101 101 PHE H H 101 7.722 7.722 8.286 -0.564 18717 7367 1 13 . 1 1 102 102 ALA N N 102 117.466 117.466 118.332 -0.866 18717 7368 1 13 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.112 -0.236 18717 7369 1 13 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.614 -0.076 18717 7370 1 13 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.210 -0.080 18717 7371 1 13 . 1 1 102 102 ALA H H 102 8.525 8.525 8.809 -0.284 18717 7372 1 13 . 1 1 103 103 LYS N N 103 115.077 115.077 116.588 -1.511 18717 7373 1 13 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.448 -0.383 18717 7374 1 13 . 1 1 103 103 LYS CA C 103 56.736 56.736 56.979 -0.243 18717 7375 1 13 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.150 -1.103 18717 7376 1 13 . 1 1 103 103 LYS H H 103 7.000 7.000 7.941 -0.941 18717 7377 1 13 . 1 1 104 104 ALA N N 104 119.948 119.948 121.163 -1.215 18717 7378 1 13 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.371 -0.563 18717 7379 1 13 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.557 0.442 18717 7380 1 13 . 1 1 104 104 ALA CB C 104 17.915 17.915 19.209 -1.294 18717 7381 1 13 . 1 1 104 104 ALA H H 104 7.955 7.955 7.685 0.270 18717 7382 1 13 . 1 1 105 105 ILE N N 105 116.011 116.011 120.535 -4.524 18717 7383 1 13 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.058 -0.609 18717 7384 1 13 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.331 -0.132 18717 7385 1 13 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.297 -2.300 18717 7386 1 13 . 1 1 105 105 ILE H H 105 7.030 7.030 8.426 -1.396 18717 7387 1 13 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.395 -0.362 18717 7388 1 13 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.410 0.512 18717 7389 1 13 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.812 0.151 18717 7390 1 13 . 1 1 107 107 CYS N N 107 115.533 115.533 115.882 -0.349 18717 7391 1 13 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.536 -0.662 18717 7392 1 13 . 1 1 107 107 CYS CA C 107 61.937 61.937 60.560 1.377 18717 7393 1 13 . 1 1 107 107 CYS CB C 107 26.904 26.904 29.020 -2.116 18717 7394 1 13 . 1 1 107 107 CYS H H 107 6.558 6.558 7.905 -1.347 18717 7395 1 13 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.510 -0.657 18717 7396 1 13 . 1 1 109 109 ARG N N 109 120.576 120.576 117.612 2.964 18717 7397 1 13 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.525 -0.133 18717 7398 1 13 . 1 1 109 109 ARG CA C 109 58.461 58.461 57.978 0.483 18717 7399 1 13 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.641 0.626 18717 7400 1 13 . 1 1 109 109 ARG H H 109 8.507 8.507 7.874 0.633 18717 7401 1 13 . 1 1 110 110 HIS N N 110 122.218 122.218 121.947 0.271 18717 7402 1 13 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.355 -0.269 18717 7403 1 13 . 1 1 110 110 HIS CA C 110 60.758 60.758 58.955 1.803 18717 7404 1 13 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.831 1.064 18717 7405 1 13 . 1 1 110 110 HIS H H 110 7.998 7.998 8.059 -0.061 18717 7406 1 13 . 1 1 111 111 ILE N N 111 105.612 105.612 111.106 -5.494 18717 7407 1 13 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.253 0.077 18717 7408 1 13 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.052 -0.459 18717 7409 1 13 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.508 -1.558 18717 7410 1 13 . 1 1 111 111 ILE H H 111 6.904 6.904 7.496 -0.592 18717 7411 1 13 . 1 1 112 112 ARG N N 112 114.782 114.782 117.973 -3.191 18717 7412 1 13 . 1 1 112 112 ARG HA H 112 3.901 3.901 3.896 0.005 18717 7413 1 13 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.741 -0.426 18717 7414 1 13 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.977 -1.737 18717 7415 1 13 . 1 1 112 112 ARG H H 112 7.660 7.660 8.168 -0.508 18717 7416 1 13 . 1 1 113 113 ARG N N 113 114.996 114.996 118.778 -3.782 18717 7417 1 13 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.118 0.132 18717 7418 1 13 . 1 1 113 113 ARG CA C 113 55.654 55.654 58.652 -2.998 18717 7419 1 13 . 1 1 113 113 ARG CB C 113 33.122 33.122 30.798 2.324 18717 7420 1 13 . 1 1 113 113 ARG H H 113 8.149 8.149 7.692 0.457 18717 7421 1 13 . 1 1 114 114 ILE N N 114 112.019 112.019 108.904 3.115 18717 7422 1 13 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.973 -0.099 18717 7423 1 13 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.439 -2.837 18717 7424 1 13 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.538 0.862 18717 7425 1 13 . 1 1 114 114 ILE H H 114 6.810 6.810 7.339 -0.529 18717 7426 1 13 . 1 1 115 115 ARG N N 115 122.894 122.894 118.677 4.217 18717 7427 1 13 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.703 -0.346 18717 7428 1 13 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.358 -0.246 18717 7429 1 13 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.988 -1.930 18717 7430 1 13 . 1 1 115 115 ARG H H 115 8.822 8.822 8.249 0.573 18717 7431 1 13 . 1 1 116 116 GLU N N 116 118.962 118.962 118.786 0.176 18717 7432 1 13 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.593 0.722 18717 7433 1 13 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.642 -1.540 18717 7434 1 13 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.974 2.960 18717 7435 1 13 . 1 1 116 116 GLU H H 116 8.329 8.329 8.260 0.069 18717 7436 1 13 . 1 1 117 117 GLU N N 117 124.627 124.627 124.505 0.122 18717 7437 1 13 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.534 -0.003 18717 7438 1 13 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.043 0.069 18717 7439 1 13 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.568 1.765 18717 7440 1 13 . 1 1 117 117 GLU H H 117 9.028 9.028 8.031 0.997 18717 7441 1 13 . 1 1 118 118 ARG N N 118 127.916 127.916 127.248 0.668 18717 7442 1 13 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.223 0.389 18717 7443 1 13 . 1 1 118 118 ARG CA C 118 55.793 55.793 56.079 -0.286 18717 7444 1 13 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.436 0.705 18717 7445 1 13 . 1 1 118 118 ARG H H 118 8.952 8.952 8.640 0.312 18717 7446 1 13 . 1 1 119 119 CYS N N 119 126.785 126.785 125.264 1.521 18717 7447 1 13 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.658 0.000 18717 7448 1 13 . 1 1 119 119 CYS CA C 119 56.448 56.448 56.926 -0.478 18717 7449 1 13 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.274 1.918 18717 7450 1 13 . 1 1 119 119 CYS H H 119 8.831 8.831 8.206 0.625 18717 7451 1 13 . 1 1 120 120 GLY N N 120 117.456 117.456 115.000 2.456 18717 7452 1 13 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.456 -0.944 18717 7453 1 13 . 1 1 120 120 GLY H H 120 8.873 8.873 8.165 0.708 18717 7454 1 13 . 1 1 122 122 LEU N N 122 121.777 121.777 118.717 3.060 18717 7455 1 13 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.552 -0.114 18717 7456 1 13 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.583 0.026 18717 7457 1 13 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.811 0.168 18717 7458 1 13 . 1 1 122 122 LEU H H 122 7.270 7.270 7.384 -0.114 18717 7459 1 13 . 1 1 123 123 THR N N 123 118.668 118.668 113.706 4.962 18717 7460 1 13 . 1 1 123 123 THR HA H 123 4.407 4.407 4.683 -0.276 18717 7461 1 13 . 1 1 123 123 THR CA C 123 61.769 61.769 61.941 -0.172 18717 7462 1 13 . 1 1 123 123 THR CB C 123 69.263 69.263 70.979 -1.716 18717 7463 1 13 . 1 1 123 123 THR H H 123 7.649 7.649 7.899 -0.250 18717 7464 1 13 . 1 1 124 124 PHE N N 124 125.265 125.265 123.682 1.583 18717 7465 1 13 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.432 -1.161 18717 7466 1 13 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.017 1.570 18717 7467 1 13 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.485 0.543 18717 7468 1 13 . 1 1 124 124 PHE H H 124 8.553 8.553 8.118 0.435 18717 7469 1 13 . 1 1 125 125 TYR N N 125 118.544 118.544 115.942 2.602 18717 7470 1 13 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.636 0.650 18717 7471 1 13 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.456 -0.706 18717 7472 1 13 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.473 -0.355 18717 7473 1 13 . 1 1 125 125 TYR H H 125 8.616 8.616 7.978 0.638 18717 7474 1 13 . 1 1 126 126 TYR N N 126 115.848 115.848 117.999 -2.151 18717 7475 1 13 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.356 -0.096 18717 7476 1 13 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.979 0.949 18717 7477 1 13 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.761 -1.819 18717 7478 1 13 . 1 1 126 126 TYR H H 126 8.357 8.357 7.453 0.904 18717 7479 1 13 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.511 0.111 18717 7480 1 13 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.828 0.101 18717 7481 1 13 . 1 1 128 128 GLY N N 128 108.039 108.039 114.448 -6.409 18717 7482 1 13 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.671 -0.964 18717 7483 1 13 . 1 1 128 128 GLY H H 128 7.730 7.730 8.078 -0.348 18717 7484 1 13 . 1 1 129 129 SER N N 129 114.228 114.228 118.633 -4.405 18717 7485 1 13 . 1 1 129 129 SER HA H 129 4.438 4.438 4.213 0.225 18717 7486 1 13 . 1 1 129 129 SER CA C 129 57.566 57.566 60.378 -2.812 18717 7487 1 13 . 1 1 129 129 SER CB C 129 63.772 63.772 63.722 0.049 18717 7488 1 13 . 1 1 129 129 SER H H 129 8.102 8.102 8.820 -0.718 18717 7489 1 14 . 1 1 3 3 ASP N N 3 120.763 120.763 123.208 -2.445 18717 7490 1 14 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.474 0.013 18717 7491 1 14 . 1 1 3 3 ASP CA C 3 54.131 54.131 54.422 -0.291 18717 7492 1 14 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.988 -0.101 18717 7493 1 14 . 1 1 3 3 ASP H H 3 8.327 8.327 8.603 -0.276 18717 7494 1 14 . 1 1 4 4 ILE N N 4 121.147 121.147 118.485 2.662 18717 7495 1 14 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.456 -0.411 18717 7496 1 14 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.959 1.764 18717 7497 1 14 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.976 -1.516 18717 7498 1 14 . 1 1 4 4 ILE H H 4 7.971 7.971 7.948 0.023 18717 7499 1 14 . 1 1 5 5 ARG N N 5 123.685 123.685 121.710 1.975 18717 7500 1 14 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.120 0.351 18717 7501 1 14 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.924 -2.505 18717 7502 1 14 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.610 -0.468 18717 7503 1 14 . 1 1 5 5 ARG H H 5 8.067 8.067 8.358 -0.291 18717 7504 1 14 . 1 1 6 6 ILE N N 6 124.881 124.881 117.106 7.775 18717 7505 1 14 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.460 -0.677 18717 7506 1 14 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.182 2.259 18717 7507 1 14 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.881 -1.697 18717 7508 1 14 . 1 1 6 6 ILE H H 6 9.083 9.083 8.783 0.300 18717 7509 1 14 . 1 1 7 7 VAL N N 7 120.527 120.527 116.841 3.686 18717 7510 1 14 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.531 -0.440 18717 7511 1 14 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.414 0.251 18717 7512 1 14 . 1 1 7 7 VAL CB C 7 31.692 31.692 32.747 -1.055 18717 7513 1 14 . 1 1 7 7 VAL H H 7 9.067 9.067 7.889 1.178 18717 7514 1 14 . 1 1 9 9 GLN N N 9 120.479 120.479 118.475 2.004 18717 7515 1 14 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.255 -0.395 18717 7516 1 14 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.687 0.212 18717 7517 1 14 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.235 0.587 18717 7518 1 14 . 1 1 9 9 GLN H H 9 8.305 8.305 8.251 0.054 18717 7519 1 14 . 1 1 10 10 ILE N N 10 125.746 125.746 116.806 8.940 18717 7520 1 14 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.501 -0.451 18717 7521 1 14 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.813 0.474 18717 7522 1 14 . 1 1 10 10 ILE CB C 10 37.150 37.150 38.990 -1.840 18717 7523 1 14 . 1 1 10 10 ILE H H 10 10.040 10.040 8.224 1.816 18717 7524 1 14 . 1 1 11 11 THR HA H 11 4.459 4.459 4.406 0.053 18717 7525 1 14 . 1 1 11 11 THR CA C 11 60.124 60.124 61.146 -1.022 18717 7526 1 14 . 1 1 11 11 THR CB C 11 71.036 71.036 69.822 1.214 18717 7527 1 14 . 1 1 12 12 ASP N N 12 121.634 121.634 120.218 1.416 18717 7528 1 14 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.445 -0.212 18717 7529 1 14 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.276 0.514 18717 7530 1 14 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.535 0.310 18717 7531 1 14 . 1 1 12 12 ASP H H 12 8.892 8.892 8.724 0.168 18717 7532 1 14 . 1 1 13 13 GLU N N 13 117.207 117.207 118.354 -1.147 18717 7533 1 14 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.245 -0.396 18717 7534 1 14 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.278 1.405 18717 7535 1 14 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.818 -0.663 18717 7536 1 14 . 1 1 13 13 GLU H H 13 8.421 8.421 8.757 -0.336 18717 7537 1 14 . 1 1 14 14 GLU N N 14 118.579 118.579 118.321 0.258 18717 7538 1 14 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.304 -0.327 18717 7539 1 14 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.235 1.258 18717 7540 1 14 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.384 1.032 18717 7541 1 14 . 1 1 14 14 GLU H H 14 7.647 7.647 7.778 -0.131 18717 7542 1 14 . 1 1 15 15 PHE N N 15 122.867 122.867 120.689 2.178 18717 7543 1 14 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.594 -0.749 18717 7544 1 14 . 1 1 15 15 PHE CA C 15 61.006 61.006 59.414 1.592 18717 7545 1 14 . 1 1 15 15 PHE CB C 15 39.857 39.857 40.265 -0.408 18717 7546 1 14 . 1 1 15 15 PHE H H 15 8.823 8.823 8.707 0.116 18717 7547 1 14 . 1 1 16 16 LYS N N 16 115.192 115.192 118.115 -2.923 18717 7548 1 14 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.099 -0.136 18717 7549 1 14 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.274 -0.188 18717 7550 1 14 . 1 1 16 16 LYS CB C 16 32.608 32.608 32.035 0.573 18717 7551 1 14 . 1 1 16 16 LYS H H 16 7.742 7.742 7.668 0.074 18717 7552 1 14 . 1 1 17 17 THR N N 17 108.709 108.709 112.307 -3.598 18717 7553 1 14 . 1 1 17 17 THR HA H 17 4.269 4.269 4.223 0.046 18717 7554 1 14 . 1 1 17 17 THR CA C 17 61.767 61.767 63.294 -1.527 18717 7555 1 14 . 1 1 17 17 THR CB C 17 69.956 69.956 69.253 0.703 18717 7556 1 14 . 1 1 17 17 THR H H 17 7.518 7.518 7.578 -0.060 18717 7557 1 14 . 1 1 18 18 ILE N N 18 124.707 124.707 124.452 0.255 18717 7558 1 14 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.349 -0.737 18717 7559 1 14 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.859 1.542 18717 7560 1 14 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.679 -0.396 18717 7561 1 14 . 1 1 18 18 ILE H H 18 7.063 7.063 7.269 -0.206 18717 7562 1 14 . 1 1 20 20 LYS N N 20 124.646 124.646 120.954 3.692 18717 7563 1 14 . 1 1 20 20 LYS HA H 20 3.709 3.709 4.023 -0.314 18717 7564 1 14 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.136 0.044 18717 7565 1 14 . 1 1 20 20 LYS CB C 20 31.439 31.439 32.065 -0.625 18717 7566 1 14 . 1 1 20 20 LYS H H 20 8.639 8.639 8.793 -0.154 18717 7567 1 14 . 1 1 21 21 TYR N N 21 115.093 115.093 118.544 -3.451 18717 7568 1 14 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.246 0.068 18717 7569 1 14 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.525 -1.611 18717 7570 1 14 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.944 -1.767 18717 7571 1 14 . 1 1 21 21 TYR H H 21 7.897 7.897 8.426 -0.529 18717 7572 1 14 . 1 1 22 22 GLN N N 22 119.745 119.745 116.191 3.554 18717 7573 1 14 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.372 -0.446 18717 7574 1 14 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.441 0.165 18717 7575 1 14 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.135 -0.670 18717 7576 1 14 . 1 1 22 22 GLN H H 22 6.759 6.759 8.009 -1.250 18717 7577 1 14 . 1 1 23 23 LEU N N 23 118.619 118.619 118.086 0.533 18717 7578 1 14 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.092 -0.240 18717 7579 1 14 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.692 -0.123 18717 7580 1 14 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.398 1.192 18717 7581 1 14 . 1 1 23 23 LEU H H 23 7.115 7.115 7.741 -0.626 18717 7582 1 14 . 1 1 24 24 GLY N N 24 103.606 103.606 107.124 -3.518 18717 7583 1 14 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.695 0.228 18717 7584 1 14 . 1 1 24 24 GLY H H 24 7.541 7.541 8.045 -0.504 18717 7585 1 14 . 1 1 25 25 ARG N N 25 126.033 126.033 123.326 2.707 18717 7586 1 14 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.603 -0.323 18717 7587 1 14 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.182 0.191 18717 7588 1 14 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.858 -0.912 18717 7589 1 14 . 1 1 25 25 ARG H H 25 8.850 8.850 8.197 0.653 18717 7590 1 14 . 1 1 26 26 LEU N N 26 121.287 121.287 120.154 1.133 18717 7591 1 14 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.505 -0.247 18717 7592 1 14 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.270 2.326 18717 7593 1 14 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.106 -1.361 18717 7594 1 14 . 1 1 26 26 LEU H H 26 8.017 8.017 7.240 0.777 18717 7595 1 14 . 1 1 27 27 THR N N 27 110.943 110.943 111.038 -0.095 18717 7596 1 14 . 1 1 27 27 THR HA H 27 4.626 4.626 4.362 0.264 18717 7597 1 14 . 1 1 27 27 THR CA C 27 58.272 58.272 60.764 -2.492 18717 7598 1 14 . 1 1 27 27 THR H H 27 7.129 7.129 8.021 -0.892 18717 7599 1 14 . 1 1 28 28 LEU N N 28 124.601 124.601 122.613 1.988 18717 7600 1 14 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.336 -0.109 18717 7601 1 14 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.973 -1.139 18717 7602 1 14 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.572 -1.660 18717 7603 1 14 . 1 1 28 28 LEU H H 28 8.404 8.404 8.048 0.356 18717 7604 1 14 . 1 1 29 29 GLU N N 29 117.021 117.021 119.016 -1.995 18717 7605 1 14 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.923 -0.037 18717 7606 1 14 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.611 0.356 18717 7607 1 14 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.165 -0.352 18717 7608 1 14 . 1 1 29 29 GLU H H 29 8.361 8.361 8.494 -0.133 18717 7609 1 14 . 1 1 30 30 MET N N 30 119.159 119.159 118.277 0.882 18717 7610 1 14 . 1 1 30 30 MET HA H 30 3.999 3.999 4.299 -0.300 18717 7611 1 14 . 1 1 30 30 MET CA C 30 58.946 58.946 58.193 0.753 18717 7612 1 14 . 1 1 30 30 MET CB C 30 31.941 31.941 32.370 -0.429 18717 7613 1 14 . 1 1 30 30 MET H H 30 7.541 7.541 7.306 0.235 18717 7614 1 14 . 1 1 31 31 MET N N 31 117.316 117.316 118.346 -1.030 18717 7615 1 14 . 1 1 31 31 MET HA H 31 3.833 3.833 3.981 -0.148 18717 7616 1 14 . 1 1 31 31 MET CA C 31 58.966 58.966 59.126 -0.160 18717 7617 1 14 . 1 1 31 31 MET CB C 31 32.253 32.253 32.130 0.123 18717 7618 1 14 . 1 1 31 31 MET H H 31 8.310 8.310 7.971 0.339 18717 7619 1 14 . 1 1 32 32 ASN N N 32 116.639 116.639 119.294 -2.655 18717 7620 1 14 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.389 0.569 18717 7621 1 14 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.683 -2.408 18717 7622 1 14 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.279 -1.364 18717 7623 1 14 . 1 1 32 32 ASN H H 32 8.728 8.728 8.598 0.130 18717 7624 1 14 . 1 1 33 33 GLU N N 33 125.338 125.338 119.271 6.067 18717 7625 1 14 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.154 0.032 18717 7626 1 14 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.740 0.771 18717 7627 1 14 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.468 -0.240 18717 7628 1 14 . 1 1 33 33 GLU H H 33 7.918 7.918 7.889 0.029 18717 7629 1 14 . 1 1 34 34 ILE N N 34 119.962 119.962 121.761 -1.799 18717 7630 1 14 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.557 -0.086 18717 7631 1 14 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.494 0.300 18717 7632 1 14 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.768 0.154 18717 7633 1 14 . 1 1 34 34 ILE H H 34 7.576 7.576 7.458 0.117 18717 7634 1 14 . 1 1 35 35 VAL N N 35 119.021 119.021 117.992 1.029 18717 7635 1 14 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.610 -0.035 18717 7636 1 14 . 1 1 35 35 VAL CA C 35 66.145 66.145 66.413 -0.268 18717 7637 1 14 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.445 0.054 18717 7638 1 14 . 1 1 35 35 VAL H H 35 8.657 8.657 8.404 0.253 18717 7639 1 14 . 1 1 36 36 SER N N 36 114.977 114.977 116.685 -1.708 18717 7640 1 14 . 1 1 36 36 SER HA H 36 4.171 4.171 4.123 0.048 18717 7641 1 14 . 1 1 36 36 SER CA C 36 61.604 61.604 61.778 -0.174 18717 7642 1 14 . 1 1 36 36 SER CB C 36 62.415 62.415 63.069 -0.654 18717 7643 1 14 . 1 1 36 36 SER H H 36 8.175 8.175 7.845 0.330 18717 7644 1 14 . 1 1 37 37 LYS N N 37 119.000 119.000 121.785 -2.785 18717 7645 1 14 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.041 0.136 18717 7646 1 14 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.583 -1.428 18717 7647 1 14 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.083 -1.703 18717 7648 1 14 . 1 1 37 37 LYS H H 37 7.283 7.283 8.149 -0.866 18717 7649 1 14 . 1 1 38 38 MET N N 38 119.061 119.061 119.001 0.060 18717 7650 1 14 . 1 1 38 38 MET HA H 38 3.430 3.430 4.060 -0.630 18717 7651 1 14 . 1 1 38 38 MET CA C 38 59.676 59.676 59.741 -0.065 18717 7652 1 14 . 1 1 38 38 MET CB C 38 31.961 31.961 32.457 -0.496 18717 7653 1 14 . 1 1 38 38 MET H H 38 7.740 7.740 7.918 -0.178 18717 7654 1 14 . 1 1 39 39 ASP N N 39 118.445 118.445 117.929 0.516 18717 7655 1 14 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.362 -0.272 18717 7656 1 14 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.131 1.642 18717 7657 1 14 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.541 2.601 18717 7658 1 14 . 1 1 39 39 ASP H H 39 8.603 8.603 7.982 0.621 18717 7659 1 14 . 1 1 40 40 ASP N N 40 117.427 117.427 120.409 -2.982 18717 7660 1 14 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.323 -0.134 18717 7661 1 14 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.271 0.056 18717 7662 1 14 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.618 0.423 18717 7663 1 14 . 1 1 40 40 ASP H H 40 8.397 8.397 7.553 0.844 18717 7664 1 14 . 1 1 41 41 PHE N N 41 119.507 119.507 119.401 0.106 18717 7665 1 14 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.065 -0.094 18717 7666 1 14 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.070 2.092 18717 7667 1 14 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.586 0.912 18717 7668 1 14 . 1 1 41 41 PHE H H 41 8.248 8.248 7.730 0.518 18717 7669 1 14 . 1 1 42 42 LEU N N 42 118.072 118.072 119.865 -1.793 18717 7670 1 14 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.944 -0.219 18717 7671 1 14 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.298 -0.131 18717 7672 1 14 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.231 0.418 18717 7673 1 14 . 1 1 42 42 LEU H H 42 8.203 8.203 8.020 0.183 18717 7674 1 14 . 1 1 43 43 MET N N 43 121.878 121.878 119.105 2.773 18717 7675 1 14 . 1 1 43 43 MET HA H 43 4.063 4.063 4.155 -0.092 18717 7676 1 14 . 1 1 43 43 MET CA C 43 57.664 57.664 59.006 -1.342 18717 7677 1 14 . 1 1 43 43 MET CB C 43 30.833 30.833 32.632 -1.799 18717 7678 1 14 . 1 1 43 43 MET H H 43 9.073 9.073 8.041 1.032 18717 7679 1 14 . 1 1 44 44 LYS N N 44 122.276 122.276 118.821 3.455 18717 7680 1 14 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.037 -0.172 18717 7681 1 14 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.396 0.088 18717 7682 1 14 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.023 -0.498 18717 7683 1 14 . 1 1 44 44 LYS H H 44 7.678 7.678 7.894 -0.216 18717 7684 1 14 . 1 1 46 46 SER N N 46 113.504 113.504 113.398 0.106 18717 7685 1 14 . 1 1 46 46 SER HA H 46 3.744 3.744 4.110 -0.366 18717 7686 1 14 . 1 1 46 46 SER CA C 46 61.358 61.358 60.996 0.362 18717 7687 1 14 . 1 1 46 46 SER CB C 46 62.674 62.674 63.152 -0.478 18717 7688 1 14 . 1 1 46 46 SER H H 46 8.467 8.467 8.109 0.358 18717 7689 1 14 . 1 1 47 47 LYS N N 47 120.235 120.235 121.699 -1.464 18717 7690 1 14 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.154 -0.199 18717 7691 1 14 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.346 0.468 18717 7692 1 14 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.912 0.101 18717 7693 1 14 . 1 1 47 47 LYS H H 47 7.659 7.659 7.501 0.158 18717 7694 1 14 . 1 1 48 48 ILE N N 48 120.699 120.699 118.830 1.869 18717 7695 1 14 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.889 -0.424 18717 7696 1 14 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.906 2.186 18717 7697 1 14 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.455 -0.508 18717 7698 1 14 . 1 1 48 48 ILE H H 48 7.803 7.803 7.310 0.493 18717 7699 1 14 . 1 1 49 49 LEU N N 49 118.686 118.686 118.517 0.169 18717 7700 1 14 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.094 -0.029 18717 7701 1 14 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.660 0.454 18717 7702 1 14 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.671 -0.078 18717 7703 1 14 . 1 1 49 49 LEU H H 49 8.671 8.671 7.517 1.154 18717 7704 1 14 . 1 1 50 50 GLY N N 50 103.264 103.264 105.697 -2.433 18717 7705 1 14 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.922 -0.376 18717 7706 1 14 . 1 1 50 50 GLY H H 50 7.422 7.422 7.723 -0.301 18717 7707 1 14 . 1 1 51 51 LYS N N 51 121.616 121.616 121.197 0.419 18717 7708 1 14 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.249 0.021 18717 7709 1 14 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.730 0.598 18717 7710 1 14 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.880 1.296 18717 7711 1 14 . 1 1 51 51 LYS H H 51 7.227 7.227 7.665 -0.438 18717 7712 1 14 . 1 1 52 52 THR N N 52 112.472 112.472 110.156 2.316 18717 7713 1 14 . 1 1 52 52 THR HA H 52 4.363 4.363 4.620 -0.257 18717 7714 1 14 . 1 1 52 52 THR CA C 52 60.280 60.280 59.875 0.405 18717 7715 1 14 . 1 1 52 52 THR CB C 52 69.989 69.989 71.618 -1.629 18717 7716 1 14 . 1 1 52 52 THR H H 52 8.298 8.298 8.058 0.240 18717 7717 1 14 . 1 1 53 53 ASN N N 53 118.660 118.660 117.811 0.849 18717 7718 1 14 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.573 -0.310 18717 7719 1 14 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.139 1.427 18717 7720 1 14 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.002 0.188 18717 7721 1 14 . 1 1 53 53 ASN H H 53 8.739 8.739 8.805 -0.066 18717 7722 1 14 . 1 1 54 54 LYS N N 54 116.241 116.241 117.919 -1.678 18717 7723 1 14 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.181 -0.097 18717 7724 1 14 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.702 -0.151 18717 7725 1 14 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.580 -0.202 18717 7726 1 14 . 1 1 54 54 LYS H H 54 7.949 7.949 7.889 0.060 18717 7727 1 14 . 1 1 55 55 GLN N N 55 116.389 116.389 116.488 -0.099 18717 7728 1 14 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.287 -0.104 18717 7729 1 14 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.316 -0.695 18717 7730 1 14 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.832 0.691 18717 7731 1 14 . 1 1 55 55 GLN H H 55 7.492 7.492 7.782 -0.290 18717 7732 1 14 . 1 1 56 56 LEU N N 56 120.014 120.014 122.313 -2.299 18717 7733 1 14 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.351 0.096 18717 7734 1 14 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.420 -0.095 18717 7735 1 14 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.520 0.504 18717 7736 1 14 . 1 1 56 56 LEU H H 56 7.137 7.137 8.012 -0.875 18717 7737 1 14 . 1 1 57 57 THR N N 57 115.673 115.673 119.343 -3.670 18717 7738 1 14 . 1 1 57 57 THR HA H 57 4.491 4.491 4.655 -0.164 18717 7739 1 14 . 1 1 57 57 THR CA C 57 59.638 59.638 60.182 -0.544 18717 7740 1 14 . 1 1 57 57 THR CB C 57 71.233 71.233 70.944 0.289 18717 7741 1 14 . 1 1 57 57 THR H H 57 8.986 8.986 7.766 1.220 18717 7742 1 14 . 1 1 58 58 ARG N N 58 121.180 121.180 121.576 -0.396 18717 7743 1 14 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.074 -0.197 18717 7744 1 14 . 1 1 58 58 ARG CA C 58 59.817 59.817 60.020 -0.203 18717 7745 1 14 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.983 -0.652 18717 7746 1 14 . 1 1 58 58 ARG H H 58 8.783 8.783 8.833 -0.050 18717 7747 1 14 . 1 1 59 59 SER N N 59 113.863 113.863 113.495 0.368 18717 7748 1 14 . 1 1 59 59 SER HA H 59 4.116 4.116 4.294 -0.178 18717 7749 1 14 . 1 1 59 59 SER CA C 59 60.988 60.988 61.063 -0.075 18717 7750 1 14 . 1 1 59 59 SER CB C 59 62.156 62.156 62.725 -0.569 18717 7751 1 14 . 1 1 59 59 SER H H 59 8.198 8.198 8.557 -0.359 18717 7752 1 14 . 1 1 60 60 ASP N N 60 122.780 122.780 121.619 1.161 18717 7753 1 14 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.645 -0.593 18717 7754 1 14 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.545 -0.007 18717 7755 1 14 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.240 1.738 18717 7756 1 14 . 1 1 60 60 ASP H H 60 7.623 7.623 8.583 -0.960 18717 7757 1 14 . 1 1 61 61 ARG N N 61 117.219 117.219 119.854 -2.635 18717 7758 1 14 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.194 -0.475 18717 7759 1 14 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.411 0.126 18717 7760 1 14 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.722 -1.118 18717 7761 1 14 . 1 1 61 61 ARG H H 61 7.966 7.966 7.934 0.032 18717 7762 1 14 . 1 1 62 62 GLU N N 62 118.341 118.341 119.391 -1.050 18717 7763 1 14 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.182 -0.240 18717 7764 1 14 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.365 -0.329 18717 7765 1 14 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.484 -0.001 18717 7766 1 14 . 1 1 62 62 GLU H H 62 7.556 7.556 8.240 -0.684 18717 7767 1 14 . 1 1 63 63 VAL N N 63 116.650 116.650 116.929 -0.279 18717 7768 1 14 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.925 -0.344 18717 7769 1 14 . 1 1 63 63 VAL CA C 63 64.617 64.617 66.127 -1.510 18717 7770 1 14 . 1 1 63 63 VAL CB C 63 30.281 30.281 32.024 -1.743 18717 7771 1 14 . 1 1 63 63 VAL H H 63 7.398 7.398 7.707 -0.309 18717 7772 1 14 . 1 1 64 64 LEU N N 64 121.502 121.502 117.451 4.051 18717 7773 1 14 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.494 -0.786 18717 7774 1 14 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.242 -0.376 18717 7775 1 14 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.019 0.917 18717 7776 1 14 . 1 1 64 64 LEU H H 64 7.889 7.889 7.824 0.065 18717 7777 1 14 . 1 1 65 65 ASP N N 65 119.200 119.200 119.552 -0.352 18717 7778 1 14 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.381 0.011 18717 7779 1 14 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.622 -0.360 18717 7780 1 14 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.528 -0.803 18717 7781 1 14 . 1 1 65 65 ASP H H 65 7.846 7.846 8.109 -0.263 18717 7782 1 14 . 1 1 66 66 ASN N N 66 120.252 120.252 119.351 0.901 18717 7783 1 14 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.550 -0.047 18717 7784 1 14 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.918 0.172 18717 7785 1 14 . 1 1 66 66 ASN CB C 66 38.019 38.019 39.175 -1.156 18717 7786 1 14 . 1 1 66 66 ASN H H 66 7.480 7.480 7.701 -0.221 18717 7787 1 14 . 1 1 67 67 TRP N N 67 122.830 122.830 122.396 0.434 18717 7788 1 14 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.132 0.367 18717 7789 1 14 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.703 -2.416 18717 7790 1 14 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.946 -0.882 18717 7791 1 14 . 1 1 67 67 TRP H H 67 8.730 8.730 8.151 0.579 18717 7792 1 14 . 1 1 68 68 ARG N N 68 120.279 120.279 118.997 1.282 18717 7793 1 14 . 1 1 68 68 ARG HA H 68 4.843 4.843 2.858 1.985 18717 7794 1 14 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.346 -0.169 18717 7795 1 14 . 1 1 68 68 ARG CB C 68 28.306 28.306 28.966 -0.660 18717 7796 1 14 . 1 1 68 68 ARG H H 68 7.976 7.976 7.383 0.593 18717 7797 1 14 . 1 1 69 69 GLU N N 69 121.656 121.656 121.120 0.536 18717 7798 1 14 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.018 0.264 18717 7799 1 14 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.784 0.521 18717 7800 1 14 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.006 0.976 18717 7801 1 14 . 1 1 69 69 GLU H H 69 8.676 8.676 7.484 1.192 18717 7802 1 14 . 1 1 70 70 LEU N N 70 120.066 120.066 119.205 0.861 18717 7803 1 14 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.213 -0.078 18717 7804 1 14 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.795 0.206 18717 7805 1 14 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.843 0.527 18717 7806 1 14 . 1 1 70 70 LEU H H 70 7.963 7.963 7.811 0.152 18717 7807 1 14 . 1 1 71 71 GLU N N 71 118.326 118.326 119.920 -1.594 18717 7808 1 14 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.957 -0.392 18717 7809 1 14 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.469 -0.151 18717 7810 1 14 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.477 0.693 18717 7811 1 14 . 1 1 71 71 GLU H H 71 8.278 8.278 7.505 0.773 18717 7812 1 14 . 1 1 72 72 MET N N 72 117.881 117.881 116.338 1.543 18717 7813 1 14 . 1 1 72 72 MET HA H 72 4.163 4.163 4.311 -0.148 18717 7814 1 14 . 1 1 72 72 MET CA C 72 57.906 57.906 57.904 0.001 18717 7815 1 14 . 1 1 72 72 MET CB C 72 32.006 32.006 32.502 -0.496 18717 7816 1 14 . 1 1 72 72 MET H H 72 7.966 7.966 7.609 0.357 18717 7817 1 14 . 1 1 73 73 LYS N N 73 119.844 119.844 120.112 -0.268 18717 7818 1 14 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.058 -0.001 18717 7819 1 14 . 1 1 73 73 LYS CA C 73 58.117 58.117 58.664 -0.547 18717 7820 1 14 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.083 0.310 18717 7821 1 14 . 1 1 73 73 LYS H H 73 7.959 7.959 7.894 0.065 18717 7822 1 14 . 1 1 74 74 ALA N N 74 120.588 120.588 119.210 1.378 18717 7823 1 14 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.241 -0.224 18717 7824 1 14 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.144 0.966 18717 7825 1 14 . 1 1 74 74 ALA CB C 74 18.496 18.496 18.744 -0.248 18717 7826 1 14 . 1 1 74 74 ALA H H 74 7.504 7.504 7.462 0.042 18717 7827 1 14 . 1 1 75 75 ARG N N 75 111.895 111.895 116.868 -4.973 18717 7828 1 14 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.865 -0.060 18717 7829 1 14 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.234 0.139 18717 7830 1 14 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.154 -0.758 18717 7831 1 14 . 1 1 75 75 ARG H H 75 7.550 7.550 7.728 -0.178 18717 7832 1 14 . 1 1 76 76 LYS N N 76 114.585 114.585 117.040 -2.455 18717 7833 1 14 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.260 -0.146 18717 7834 1 14 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.455 0.047 18717 7835 1 14 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.000 -2.724 18717 7836 1 14 . 1 1 76 76 LYS H H 76 7.810 7.810 7.769 0.041 18717 7837 1 14 . 1 1 77 77 ARG N N 77 119.199 119.199 123.415 -4.216 18717 7838 1 14 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.452 -0.404 18717 7839 1 14 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.651 0.039 18717 7840 1 14 . 1 1 77 77 ARG CB C 77 30.476 30.476 30.001 0.475 18717 7841 1 14 . 1 1 77 77 ARG H H 77 7.916 7.916 8.451 -0.535 18717 7842 1 14 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.089 0.074 18717 7843 1 14 . 1 1 80 80 THR N N 80 110.230 110.230 112.503 -2.273 18717 7844 1 14 . 1 1 80 80 THR HA H 80 4.526 4.526 4.546 -0.020 18717 7845 1 14 . 1 1 80 80 THR CA C 80 58.081 58.081 60.682 -2.601 18717 7846 1 14 . 1 1 80 80 THR CB C 80 67.980 67.980 70.931 -2.951 18717 7847 1 14 . 1 1 80 80 THR H H 80 6.530 6.530 7.229 -0.699 18717 7848 1 14 . 1 1 81 81 THR N N 81 114.552 114.552 116.377 -1.825 18717 7849 1 14 . 1 1 81 81 THR HA H 81 4.260 4.260 4.498 -0.238 18717 7850 1 14 . 1 1 81 81 THR CA C 81 61.767 61.767 62.962 -1.195 18717 7851 1 14 . 1 1 81 81 THR CB C 81 68.383 68.383 69.319 -0.936 18717 7852 1 14 . 1 1 81 81 THR H H 81 7.674 7.674 8.235 -0.561 18717 7853 1 14 . 1 1 82 82 LEU N N 82 127.155 127.155 122.741 4.414 18717 7854 1 14 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.240 -0.248 18717 7855 1 14 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.221 -0.507 18717 7856 1 14 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.931 -1.553 18717 7857 1 14 . 1 1 82 82 LEU H H 82 8.465 8.465 7.855 0.610 18717 7858 1 14 . 1 1 83 83 PHE N N 83 113.552 113.552 117.386 -3.834 18717 7859 1 14 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.596 0.326 18717 7860 1 14 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.529 -0.865 18717 7861 1 14 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.649 1.400 18717 7862 1 14 . 1 1 83 83 PHE H H 83 6.370 6.370 6.868 -0.498 18717 7863 1 14 . 1 1 84 84 PHE N N 84 116.628 116.628 119.053 -2.425 18717 7864 1 14 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.135 0.140 18717 7865 1 14 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.735 -1.384 18717 7866 1 14 . 1 1 84 84 PHE CB C 84 42.823 42.823 43.964 -1.141 18717 7867 1 14 . 1 1 84 84 PHE H H 84 9.579 9.579 9.199 0.380 18717 7868 1 14 . 1 1 85 85 ILE N N 85 113.827 113.827 114.871 -1.044 18717 7869 1 14 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.084 0.058 18717 7870 1 14 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.031 0.255 18717 7871 1 14 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.652 -0.365 18717 7872 1 14 . 1 1 85 85 ILE H H 85 9.410 9.410 8.254 1.156 18717 7873 1 14 . 1 1 86 86 GLU N N 86 124.724 124.724 124.272 0.452 18717 7874 1 14 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.888 -0.263 18717 7875 1 14 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.184 0.532 18717 7876 1 14 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.641 -0.631 18717 7877 1 14 . 1 1 86 86 GLU H H 86 9.957 9.957 8.700 1.257 18717 7878 1 14 . 1 1 87 87 THR N N 87 106.336 106.336 111.263 -4.927 18717 7879 1 14 . 1 1 87 87 THR HA H 87 3.695 3.695 4.204 -0.509 18717 7880 1 14 . 1 1 87 87 THR CA C 87 63.680 63.680 64.367 -0.687 18717 7881 1 14 . 1 1 87 87 THR CB C 87 67.530 67.530 68.338 -0.809 18717 7882 1 14 . 1 1 87 87 THR H H 87 7.659 7.659 8.410 -0.751 18717 7883 1 14 . 1 1 88 88 ASP N N 88 119.814 119.814 119.370 0.444 18717 7884 1 14 . 1 1 88 88 ASP HA H 88 4.214 4.214 5.016 -0.802 18717 7885 1 14 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.282 1.216 18717 7886 1 14 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.140 -1.059 18717 7887 1 14 . 1 1 88 88 ASP H H 88 7.605 7.605 8.134 -0.529 18717 7888 1 14 . 1 1 89 89 ILE N N 89 113.246 113.246 118.954 -5.708 18717 7889 1 14 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.552 -0.738 18717 7890 1 14 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.982 -3.475 18717 7891 1 14 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.788 -2.988 18717 7892 1 14 . 1 1 89 89 ILE H H 89 6.538 6.538 7.537 -0.999 18717 7893 1 14 . 1 1 90 90 ARG N N 90 119.499 119.499 123.140 -3.641 18717 7894 1 14 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.258 -0.642 18717 7895 1 14 . 1 1 90 90 ARG CA C 90 62.065 62.065 60.982 1.083 18717 7896 1 14 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.558 0.335 18717 7897 1 14 . 1 1 90 90 ARG H H 90 7.721 7.721 8.620 -0.899 18717 7898 1 14 . 1 1 92 92 MET N N 92 113.492 113.492 116.700 -3.208 18717 7899 1 14 . 1 1 92 92 MET HA H 92 4.175 4.175 4.429 -0.254 18717 7900 1 14 . 1 1 92 92 MET CA C 92 55.799 55.799 56.446 -0.647 18717 7901 1 14 . 1 1 92 92 MET CB C 92 33.950 33.950 34.312 -0.362 18717 7902 1 14 . 1 1 92 92 MET H H 92 7.549 7.549 7.684 -0.135 18717 7903 1 14 . 1 1 93 93 LEU N N 93 117.943 117.943 119.245 -1.302 18717 7904 1 14 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.082 0.352 18717 7905 1 14 . 1 1 93 93 LEU CA C 93 52.855 52.855 57.116 -4.261 18717 7906 1 14 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.234 0.625 18717 7907 1 14 . 1 1 93 93 LEU H H 93 7.297 7.297 7.701 -0.404 18717 7908 1 14 . 1 1 94 94 GLN N N 94 121.536 121.536 115.477 6.059 18717 7909 1 14 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.433 -0.265 18717 7910 1 14 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.071 1.020 18717 7911 1 14 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.983 -2.820 18717 7912 1 14 . 1 1 94 94 GLN H H 94 8.675 8.675 8.297 0.378 18717 7913 1 14 . 1 1 95 95 ASP N N 95 123.380 123.380 125.012 -1.632 18717 7914 1 14 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.451 -0.567 18717 7915 1 14 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.510 1.983 18717 7916 1 14 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.969 -0.789 18717 7917 1 14 . 1 1 95 95 ASP H H 95 8.804 8.804 8.844 -0.040 18717 7918 1 14 . 1 1 96 96 ARG N N 96 115.337 115.337 115.655 -0.318 18717 7919 1 14 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.509 -0.420 18717 7920 1 14 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.131 1.676 18717 7921 1 14 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.012 -0.581 18717 7922 1 14 . 1 1 96 96 ARG H H 96 8.652 8.652 7.914 0.738 18717 7923 1 14 . 1 1 97 97 LEU N N 97 118.485 118.485 122.648 -4.163 18717 7924 1 14 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.076 0.314 18717 7925 1 14 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.370 -0.959 18717 7926 1 14 . 1 1 97 97 LEU CB C 97 44.094 44.094 41.996 2.098 18717 7927 1 14 . 1 1 97 97 LEU H H 97 7.776 7.776 7.364 0.412 18717 7928 1 14 . 1 1 98 98 ARG N N 98 119.863 119.863 114.522 5.341 18717 7929 1 14 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.135 -0.226 18717 7930 1 14 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.759 5.532 18717 7931 1 14 . 1 1 98 98 ARG CB C 98 27.825 27.825 29.323 -1.498 18717 7932 1 14 . 1 1 98 98 ARG H H 98 7.553 7.553 7.740 -0.187 18717 7933 1 14 . 1 1 100 100 SER N N 100 111.387 111.387 115.726 -4.339 18717 7934 1 14 . 1 1 100 100 SER HA H 100 4.360 4.360 4.398 -0.038 18717 7935 1 14 . 1 1 100 100 SER CA C 100 59.923 59.923 59.198 0.725 18717 7936 1 14 . 1 1 100 100 SER CB C 100 63.304 63.304 64.034 -0.730 18717 7937 1 14 . 1 1 100 100 SER H H 100 7.616 7.616 8.452 -0.836 18717 7938 1 14 . 1 1 101 101 PHE N N 101 123.367 123.367 123.948 -0.581 18717 7939 1 14 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.054 -0.348 18717 7940 1 14 . 1 1 101 101 PHE CA C 101 62.716 62.716 60.891 1.825 18717 7941 1 14 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.744 -0.099 18717 7942 1 14 . 1 1 101 101 PHE H H 101 7.722 7.722 8.240 -0.518 18717 7943 1 14 . 1 1 102 102 ALA N N 102 117.466 117.466 118.061 -0.595 18717 7944 1 14 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.136 -0.260 18717 7945 1 14 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.520 0.018 18717 7946 1 14 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.438 -0.308 18717 7947 1 14 . 1 1 102 102 ALA H H 102 8.525 8.525 8.718 -0.193 18717 7948 1 14 . 1 1 103 103 LYS N N 103 115.077 115.077 116.757 -1.680 18717 7949 1 14 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.354 -0.289 18717 7950 1 14 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.012 -0.276 18717 7951 1 14 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.075 -1.028 18717 7952 1 14 . 1 1 103 103 LYS H H 103 7.000 7.000 7.897 -0.897 18717 7953 1 14 . 1 1 104 104 ALA N N 104 119.948 119.948 120.122 -0.174 18717 7954 1 14 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.353 -0.545 18717 7955 1 14 . 1 1 104 104 ALA CA C 104 53.999 53.999 52.945 1.054 18717 7956 1 14 . 1 1 104 104 ALA CB C 104 17.915 17.915 19.310 -1.395 18717 7957 1 14 . 1 1 104 104 ALA H H 104 7.955 7.955 7.641 0.314 18717 7958 1 14 . 1 1 105 105 ILE N N 105 116.011 116.011 120.935 -4.924 18717 7959 1 14 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.032 -0.583 18717 7960 1 14 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.781 -0.582 18717 7961 1 14 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.282 -2.285 18717 7962 1 14 . 1 1 105 105 ILE H H 105 7.030 7.030 8.492 -1.462 18717 7963 1 14 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.450 -0.417 18717 7964 1 14 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.829 0.093 18717 7965 1 14 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.024 -0.062 18717 7966 1 14 . 1 1 107 107 CYS N N 107 115.533 115.533 114.899 0.634 18717 7967 1 14 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.499 -0.625 18717 7968 1 14 . 1 1 107 107 CYS CA C 107 61.937 61.937 60.699 1.238 18717 7969 1 14 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.424 0.479 18717 7970 1 14 . 1 1 107 107 CYS H H 107 6.558 6.558 8.045 -1.487 18717 7971 1 14 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.376 -0.523 18717 7972 1 14 . 1 1 109 109 ARG N N 109 120.576 120.576 117.550 3.026 18717 7973 1 14 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.397 -0.005 18717 7974 1 14 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.329 0.132 18717 7975 1 14 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.727 0.540 18717 7976 1 14 . 1 1 109 109 ARG H H 109 8.507 8.507 7.791 0.716 18717 7977 1 14 . 1 1 110 110 HIS N N 110 122.218 122.218 121.054 1.164 18717 7978 1 14 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.352 -0.266 18717 7979 1 14 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.074 1.684 18717 7980 1 14 . 1 1 110 110 HIS CB C 110 30.895 30.895 30.066 0.829 18717 7981 1 14 . 1 1 110 110 HIS H H 110 7.998 7.998 8.150 -0.152 18717 7982 1 14 . 1 1 111 111 ILE N N 111 105.612 105.612 110.047 -4.435 18717 7983 1 14 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.233 0.097 18717 7984 1 14 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.281 -0.688 18717 7985 1 14 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.841 -1.891 18717 7986 1 14 . 1 1 111 111 ILE H H 111 6.904 6.904 7.295 -0.391 18717 7987 1 14 . 1 1 112 112 ARG N N 112 114.782 114.782 117.566 -2.784 18717 7988 1 14 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.068 -0.167 18717 7989 1 14 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.058 0.257 18717 7990 1 14 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.480 -0.240 18717 7991 1 14 . 1 1 112 112 ARG H H 112 7.660 7.660 8.117 -0.457 18717 7992 1 14 . 1 1 113 113 ARG N N 113 114.996 114.996 115.860 -0.864 18717 7993 1 14 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.490 -0.240 18717 7994 1 14 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.755 -1.101 18717 7995 1 14 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.639 -0.517 18717 7996 1 14 . 1 1 113 113 ARG H H 113 8.149 8.149 7.802 0.347 18717 7997 1 14 . 1 1 114 114 ILE N N 114 112.019 112.019 112.515 -0.496 18717 7998 1 14 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.136 -0.262 18717 7999 1 14 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.351 -2.749 18717 8000 1 14 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.766 0.634 18717 8001 1 14 . 1 1 114 114 ILE H H 114 6.810 6.810 7.307 -0.497 18717 8002 1 14 . 1 1 115 115 ARG N N 115 122.894 122.894 119.455 3.439 18717 8003 1 14 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.645 -0.288 18717 8004 1 14 . 1 1 115 115 ARG CA C 115 54.112 54.112 53.661 0.451 18717 8005 1 14 . 1 1 115 115 ARG CB C 115 33.058 33.058 33.992 -0.934 18717 8006 1 14 . 1 1 115 115 ARG H H 115 8.822 8.822 8.586 0.236 18717 8007 1 14 . 1 1 116 116 GLU N N 116 118.962 118.962 118.867 0.095 18717 8008 1 14 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.976 0.339 18717 8009 1 14 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.517 -1.415 18717 8010 1 14 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.822 3.112 18717 8011 1 14 . 1 1 116 116 GLU H H 116 8.329 8.329 8.446 -0.117 18717 8012 1 14 . 1 1 117 117 GLU N N 117 124.627 124.627 124.886 -0.259 18717 8013 1 14 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.590 -0.059 18717 8014 1 14 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.057 0.055 18717 8015 1 14 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.777 1.556 18717 8016 1 14 . 1 1 117 117 GLU H H 117 9.028 9.028 8.806 0.222 18717 8017 1 14 . 1 1 118 118 ARG N N 118 127.916 127.916 128.537 -0.621 18717 8018 1 14 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.294 0.318 18717 8019 1 14 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.551 0.242 18717 8020 1 14 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.195 0.946 18717 8021 1 14 . 1 1 118 118 ARG H H 118 8.952 8.952 8.709 0.243 18717 8022 1 14 . 1 1 119 119 CYS N N 119 126.785 126.785 127.631 -0.846 18717 8023 1 14 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.680 -0.022 18717 8024 1 14 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.378 -0.930 18717 8025 1 14 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.433 1.758 18717 8026 1 14 . 1 1 119 119 CYS H H 119 8.831 8.831 8.199 0.632 18717 8027 1 14 . 1 1 120 120 GLY N N 120 117.456 117.456 113.944 3.512 18717 8028 1 14 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.508 -0.996 18717 8029 1 14 . 1 1 120 120 GLY H H 120 8.873 8.873 8.113 0.760 18717 8030 1 14 . 1 1 122 122 LEU N N 122 121.777 121.777 119.115 2.662 18717 8031 1 14 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.561 -0.123 18717 8032 1 14 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.424 0.185 18717 8033 1 14 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.607 0.372 18717 8034 1 14 . 1 1 122 122 LEU H H 122 7.270 7.270 7.321 -0.051 18717 8035 1 14 . 1 1 123 123 THR N N 123 118.668 118.668 113.486 5.182 18717 8036 1 14 . 1 1 123 123 THR HA H 123 4.407 4.407 4.729 -0.322 18717 8037 1 14 . 1 1 123 123 THR CA C 123 61.769 61.769 61.757 0.013 18717 8038 1 14 . 1 1 123 123 THR CB C 123 69.263 69.263 71.233 -1.970 18717 8039 1 14 . 1 1 123 123 THR H H 123 7.649 7.649 8.000 -0.351 18717 8040 1 14 . 1 1 124 124 PHE N N 124 125.265 125.265 123.008 2.257 18717 8041 1 14 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.616 -1.345 18717 8042 1 14 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.370 1.217 18717 8043 1 14 . 1 1 124 124 PHE CB C 124 42.028 42.028 42.520 -0.492 18717 8044 1 14 . 1 1 124 124 PHE H H 124 8.553 8.553 8.658 -0.105 18717 8045 1 14 . 1 1 125 125 TYR N N 125 118.544 118.544 115.812 2.732 18717 8046 1 14 . 1 1 125 125 TYR HA H 125 5.286 5.286 5.122 0.164 18717 8047 1 14 . 1 1 125 125 TYR CA C 125 55.750 55.750 57.022 -1.272 18717 8048 1 14 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.524 -1.406 18717 8049 1 14 . 1 1 125 125 TYR H H 125 8.616 8.616 9.404 -0.788 18717 8050 1 14 . 1 1 126 126 TYR N N 126 115.848 115.848 118.326 -2.478 18717 8051 1 14 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.569 -0.309 18717 8052 1 14 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.223 0.705 18717 8053 1 14 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.726 -1.784 18717 8054 1 14 . 1 1 126 126 TYR H H 126 8.357 8.357 8.176 0.181 18717 8055 1 14 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.629 -0.007 18717 8056 1 14 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.802 0.127 18717 8057 1 14 . 1 1 128 128 GLY N N 128 108.039 108.039 113.904 -5.865 18717 8058 1 14 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.154 -0.447 18717 8059 1 14 . 1 1 128 128 GLY H H 128 7.730 7.730 7.938 -0.208 18717 8060 1 14 . 1 1 129 129 SER N N 129 114.228 114.228 116.038 -1.810 18717 8061 1 14 . 1 1 129 129 SER HA H 129 4.438 4.438 4.605 -0.167 18717 8062 1 14 . 1 1 129 129 SER CA C 129 57.566 57.566 58.994 -1.428 18717 8063 1 14 . 1 1 129 129 SER CB C 129 63.772 63.772 64.246 -0.474 18717 8064 1 14 . 1 1 129 129 SER H H 129 8.102 8.102 8.649 -0.547 18717 8065 1 15 . 1 1 3 3 ASP N N 3 120.763 120.763 121.916 -1.153 18717 8066 1 15 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.818 -0.331 18717 8067 1 15 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.760 0.371 18717 8068 1 15 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.749 0.138 18717 8069 1 15 . 1 1 3 3 ASP H H 3 8.327 8.327 8.509 -0.182 18717 8070 1 15 . 1 1 4 4 ILE N N 4 121.147 121.147 119.652 1.495 18717 8071 1 15 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.529 -0.484 18717 8072 1 15 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.115 1.608 18717 8073 1 15 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.712 -1.252 18717 8074 1 15 . 1 1 4 4 ILE H H 4 7.971 7.971 7.930 0.041 18717 8075 1 15 . 1 1 5 5 ARG N N 5 123.685 123.685 122.217 1.468 18717 8076 1 15 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.156 0.315 18717 8077 1 15 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.929 -2.510 18717 8078 1 15 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.273 -0.131 18717 8079 1 15 . 1 1 5 5 ARG H H 5 8.067 8.067 8.343 -0.276 18717 8080 1 15 . 1 1 6 6 ILE N N 6 124.881 124.881 121.350 3.531 18717 8081 1 15 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.191 -0.408 18717 8082 1 15 . 1 1 6 6 ILE CA C 6 63.441 63.441 62.238 1.203 18717 8083 1 15 . 1 1 6 6 ILE CB C 6 38.184 38.184 38.941 -0.757 18717 8084 1 15 . 1 1 6 6 ILE H H 6 9.083 9.083 8.531 0.552 18717 8085 1 15 . 1 1 7 7 VAL N N 7 120.527 120.527 113.341 7.186 18717 8086 1 15 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.482 -0.391 18717 8087 1 15 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.934 -0.269 18717 8088 1 15 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.019 -1.327 18717 8089 1 15 . 1 1 7 7 VAL H H 7 9.067 9.067 8.037 1.030 18717 8090 1 15 . 1 1 9 9 GLN N N 9 120.479 120.479 118.677 1.802 18717 8091 1 15 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.129 -0.269 18717 8092 1 15 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.298 -0.399 18717 8093 1 15 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.987 0.835 18717 8094 1 15 . 1 1 9 9 GLN H H 9 8.305 8.305 8.269 0.036 18717 8095 1 15 . 1 1 10 10 ILE N N 10 125.746 125.746 116.354 9.392 18717 8096 1 15 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.520 -0.470 18717 8097 1 15 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.850 0.437 18717 8098 1 15 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.669 -2.519 18717 8099 1 15 . 1 1 10 10 ILE H H 10 10.040 10.040 8.234 1.806 18717 8100 1 15 . 1 1 11 11 THR HA H 11 4.459 4.459 4.499 -0.040 18717 8101 1 15 . 1 1 11 11 THR CA C 11 60.124 60.124 60.168 -0.044 18717 8102 1 15 . 1 1 11 11 THR CB C 11 71.036 71.036 70.211 0.825 18717 8103 1 15 . 1 1 12 12 ASP N N 12 121.634 121.634 121.018 0.616 18717 8104 1 15 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.492 -0.259 18717 8105 1 15 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.688 0.103 18717 8106 1 15 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.569 0.276 18717 8107 1 15 . 1 1 12 12 ASP H H 12 8.892 8.892 8.794 0.098 18717 8108 1 15 . 1 1 13 13 GLU N N 13 117.207 117.207 117.581 -0.374 18717 8109 1 15 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.181 -0.332 18717 8110 1 15 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.432 1.251 18717 8111 1 15 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.578 -0.423 18717 8112 1 15 . 1 1 13 13 GLU H H 13 8.421 8.421 8.559 -0.138 18717 8113 1 15 . 1 1 14 14 GLU N N 14 118.579 118.579 116.968 1.611 18717 8114 1 15 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.392 -0.415 18717 8115 1 15 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.019 1.474 18717 8116 1 15 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.518 0.897 18717 8117 1 15 . 1 1 14 14 GLU H H 14 7.647 7.647 7.787 -0.140 18717 8118 1 15 . 1 1 15 15 PHE N N 15 122.867 122.867 122.141 0.726 18717 8119 1 15 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.258 -0.413 18717 8120 1 15 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.346 -0.340 18717 8121 1 15 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.370 0.487 18717 8122 1 15 . 1 1 15 15 PHE H H 15 8.823 8.823 8.954 -0.131 18717 8123 1 15 . 1 1 16 16 LYS N N 16 115.192 115.192 116.207 -1.015 18717 8124 1 15 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.050 -0.087 18717 8125 1 15 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.676 0.410 18717 8126 1 15 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.081 1.527 18717 8127 1 15 . 1 1 16 16 LYS H H 16 7.742 7.742 7.681 0.061 18717 8128 1 15 . 1 1 17 17 THR N N 17 108.709 108.709 114.376 -5.667 18717 8129 1 15 . 1 1 17 17 THR HA H 17 4.269 4.269 4.237 0.032 18717 8130 1 15 . 1 1 17 17 THR CA C 17 61.767 61.767 63.397 -1.630 18717 8131 1 15 . 1 1 17 17 THR CB C 17 69.956 69.956 69.117 0.839 18717 8132 1 15 . 1 1 17 17 THR H H 17 7.518 7.518 7.830 -0.312 18717 8133 1 15 . 1 1 18 18 ILE N N 18 124.707 124.707 122.697 2.010 18717 8134 1 15 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.628 -1.016 18717 8135 1 15 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.948 1.453 18717 8136 1 15 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.696 -1.413 18717 8137 1 15 . 1 1 18 18 ILE H H 18 7.063 7.063 7.215 -0.152 18717 8138 1 15 . 1 1 20 20 LYS N N 20 124.646 124.646 122.265 2.381 18717 8139 1 15 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.921 -0.212 18717 8140 1 15 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.734 0.446 18717 8141 1 15 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.330 0.109 18717 8142 1 15 . 1 1 20 20 LYS H H 20 8.639 8.639 8.753 -0.114 18717 8143 1 15 . 1 1 21 21 TYR N N 21 115.093 115.093 117.125 -2.032 18717 8144 1 15 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.287 0.027 18717 8145 1 15 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.287 -1.373 18717 8146 1 15 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.794 -1.617 18717 8147 1 15 . 1 1 21 21 TYR H H 21 7.897 7.897 7.972 -0.075 18717 8148 1 15 . 1 1 22 22 GLN N N 22 119.745 119.745 116.682 3.063 18717 8149 1 15 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.325 -0.399 18717 8150 1 15 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.574 0.032 18717 8151 1 15 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.760 -0.295 18717 8152 1 15 . 1 1 22 22 GLN H H 22 6.759 6.759 7.911 -1.152 18717 8153 1 15 . 1 1 23 23 LEU N N 23 118.619 118.619 118.033 0.586 18717 8154 1 15 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.019 -0.167 18717 8155 1 15 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.740 -0.171 18717 8156 1 15 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.340 1.250 18717 8157 1 15 . 1 1 23 23 LEU H H 23 7.115 7.115 7.657 -0.542 18717 8158 1 15 . 1 1 24 24 GLY N N 24 103.606 103.606 107.458 -3.852 18717 8159 1 15 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.646 0.277 18717 8160 1 15 . 1 1 24 24 GLY H H 24 7.541 7.541 8.312 -0.771 18717 8161 1 15 . 1 1 25 25 ARG N N 25 126.033 126.033 122.695 3.338 18717 8162 1 15 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.672 -0.392 18717 8163 1 15 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.210 0.163 18717 8164 1 15 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.215 -1.269 18717 8165 1 15 . 1 1 25 25 ARG H H 25 8.850 8.850 8.081 0.769 18717 8166 1 15 . 1 1 26 26 LEU N N 26 121.287 121.287 121.880 -0.593 18717 8167 1 15 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.573 -0.315 18717 8168 1 15 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.192 1.404 18717 8169 1 15 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.450 -0.705 18717 8170 1 15 . 1 1 26 26 LEU H H 26 8.017 8.017 7.487 0.530 18717 8171 1 15 . 1 1 27 27 THR N N 27 110.943 110.943 110.509 0.434 18717 8172 1 15 . 1 1 27 27 THR HA H 27 4.626 4.626 4.385 0.241 18717 8173 1 15 . 1 1 27 27 THR CA C 27 58.272 58.272 60.743 -2.471 18717 8174 1 15 . 1 1 27 27 THR H H 27 7.129 7.129 8.007 -0.878 18717 8175 1 15 . 1 1 28 28 LEU N N 28 124.601 124.601 122.675 1.926 18717 8176 1 15 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.528 -0.301 18717 8177 1 15 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.014 -1.180 18717 8178 1 15 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.571 -1.659 18717 8179 1 15 . 1 1 28 28 LEU H H 28 8.404 8.404 8.005 0.399 18717 8180 1 15 . 1 1 29 29 GLU N N 29 117.021 117.021 118.550 -1.529 18717 8181 1 15 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.935 -0.049 18717 8182 1 15 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.633 0.334 18717 8183 1 15 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.116 -0.303 18717 8184 1 15 . 1 1 29 29 GLU H H 29 8.361 8.361 8.606 -0.245 18717 8185 1 15 . 1 1 30 30 MET N N 30 119.159 119.159 117.887 1.272 18717 8186 1 15 . 1 1 30 30 MET HA H 30 3.999 3.999 4.279 -0.280 18717 8187 1 15 . 1 1 30 30 MET CA C 30 58.946 58.946 58.946 0.000 18717 8188 1 15 . 1 1 30 30 MET CB C 30 31.941 31.941 32.834 -0.893 18717 8189 1 15 . 1 1 30 30 MET H H 30 7.541 7.541 7.500 0.041 18717 8190 1 15 . 1 1 31 31 MET N N 31 117.316 117.316 117.706 -0.390 18717 8191 1 15 . 1 1 31 31 MET HA H 31 3.833 3.833 4.011 -0.178 18717 8192 1 15 . 1 1 31 31 MET CA C 31 58.966 58.966 59.017 -0.051 18717 8193 1 15 . 1 1 31 31 MET CB C 31 32.253 32.253 32.239 0.014 18717 8194 1 15 . 1 1 31 31 MET H H 31 8.310 8.310 8.156 0.154 18717 8195 1 15 . 1 1 32 32 ASN N N 32 116.639 116.639 119.234 -2.595 18717 8196 1 15 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.372 0.586 18717 8197 1 15 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.855 -2.580 18717 8198 1 15 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.495 -1.579 18717 8199 1 15 . 1 1 32 32 ASN H H 32 8.728 8.728 8.579 0.149 18717 8200 1 15 . 1 1 33 33 GLU N N 33 125.338 125.338 119.145 6.193 18717 8201 1 15 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.137 0.049 18717 8202 1 15 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.679 0.832 18717 8203 1 15 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.498 -0.270 18717 8204 1 15 . 1 1 33 33 GLU H H 33 7.918 7.918 7.882 0.036 18717 8205 1 15 . 1 1 34 34 ILE N N 34 119.962 119.962 121.801 -1.839 18717 8206 1 15 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.562 -0.091 18717 8207 1 15 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.079 0.716 18717 8208 1 15 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.696 0.226 18717 8209 1 15 . 1 1 34 34 ILE H H 34 7.576 7.576 7.532 0.044 18717 8210 1 15 . 1 1 35 35 VAL N N 35 119.021 119.021 118.128 0.893 18717 8211 1 15 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.670 -0.095 18717 8212 1 15 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.988 0.157 18717 8213 1 15 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.680 0.819 18717 8214 1 15 . 1 1 35 35 VAL H H 35 8.657 8.657 8.466 0.191 18717 8215 1 15 . 1 1 36 36 SER N N 36 114.977 114.977 116.663 -1.686 18717 8216 1 15 . 1 1 36 36 SER HA H 36 4.171 4.171 4.118 0.053 18717 8217 1 15 . 1 1 36 36 SER CA C 36 61.604 61.604 61.786 -0.182 18717 8218 1 15 . 1 1 36 36 SER CB C 36 62.415 62.415 63.036 -0.621 18717 8219 1 15 . 1 1 36 36 SER H H 36 8.175 8.175 7.857 0.318 18717 8220 1 15 . 1 1 37 37 LYS N N 37 119.000 119.000 121.738 -2.738 18717 8221 1 15 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.000 0.177 18717 8222 1 15 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.723 -1.568 18717 8223 1 15 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.199 -1.819 18717 8224 1 15 . 1 1 37 37 LYS H H 37 7.283 7.283 8.008 -0.725 18717 8225 1 15 . 1 1 38 38 MET N N 38 119.061 119.061 118.906 0.155 18717 8226 1 15 . 1 1 38 38 MET HA H 38 3.430 3.430 4.191 -0.761 18717 8227 1 15 . 1 1 38 38 MET CA C 38 59.676 59.676 58.215 1.461 18717 8228 1 15 . 1 1 38 38 MET CB C 38 31.961 31.961 31.989 -0.028 18717 8229 1 15 . 1 1 38 38 MET H H 38 7.740 7.740 7.918 -0.178 18717 8230 1 15 . 1 1 39 39 ASP N N 39 118.445 118.445 118.155 0.290 18717 8231 1 15 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.332 -0.242 18717 8232 1 15 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.180 1.593 18717 8233 1 15 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.622 2.520 18717 8234 1 15 . 1 1 39 39 ASP H H 39 8.603 8.603 7.952 0.651 18717 8235 1 15 . 1 1 40 40 ASP N N 40 117.427 117.427 120.916 -3.489 18717 8236 1 15 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.321 -0.132 18717 8237 1 15 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.020 0.307 18717 8238 1 15 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.420 0.621 18717 8239 1 15 . 1 1 40 40 ASP H H 40 8.397 8.397 7.613 0.784 18717 8240 1 15 . 1 1 41 41 PHE N N 41 119.507 119.507 119.567 -0.060 18717 8241 1 15 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.004 -0.033 18717 8242 1 15 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.917 2.245 18717 8243 1 15 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.539 0.959 18717 8244 1 15 . 1 1 41 41 PHE H H 41 8.248 8.248 7.743 0.505 18717 8245 1 15 . 1 1 42 42 LEU N N 42 118.072 118.072 119.657 -1.585 18717 8246 1 15 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.846 -0.121 18717 8247 1 15 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.039 0.129 18717 8248 1 15 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.102 0.547 18717 8249 1 15 . 1 1 42 42 LEU H H 42 8.203 8.203 7.999 0.204 18717 8250 1 15 . 1 1 43 43 MET N N 43 121.878 121.878 119.126 2.752 18717 8251 1 15 . 1 1 43 43 MET HA H 43 4.063 4.063 4.175 -0.112 18717 8252 1 15 . 1 1 43 43 MET CA C 43 57.664 57.664 58.973 -1.309 18717 8253 1 15 . 1 1 43 43 MET CB C 43 30.833 30.833 32.622 -1.789 18717 8254 1 15 . 1 1 43 43 MET H H 43 9.073 9.073 8.035 1.038 18717 8255 1 15 . 1 1 44 44 LYS N N 44 122.276 122.276 119.088 3.188 18717 8256 1 15 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.037 -0.172 18717 8257 1 15 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.300 0.184 18717 8258 1 15 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.098 -0.573 18717 8259 1 15 . 1 1 44 44 LYS H H 44 7.678 7.678 7.764 -0.086 18717 8260 1 15 . 1 1 46 46 SER N N 46 113.504 113.504 113.745 -0.241 18717 8261 1 15 . 1 1 46 46 SER HA H 46 3.744 3.744 4.092 -0.348 18717 8262 1 15 . 1 1 46 46 SER CA C 46 61.358 61.358 61.479 -0.121 18717 8263 1 15 . 1 1 46 46 SER CB C 46 62.674 62.674 62.942 -0.268 18717 8264 1 15 . 1 1 46 46 SER H H 46 8.467 8.467 8.119 0.348 18717 8265 1 15 . 1 1 47 47 LYS N N 47 120.235 120.235 121.237 -1.002 18717 8266 1 15 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.201 -0.246 18717 8267 1 15 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.164 0.650 18717 8268 1 15 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.916 0.097 18717 8269 1 15 . 1 1 47 47 LYS H H 47 7.659 7.659 7.462 0.197 18717 8270 1 15 . 1 1 48 48 ILE N N 48 120.699 120.699 118.817 1.882 18717 8271 1 15 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.874 -0.409 18717 8272 1 15 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.971 2.121 18717 8273 1 15 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.349 -0.402 18717 8274 1 15 . 1 1 48 48 ILE H H 48 7.803 7.803 7.336 0.467 18717 8275 1 15 . 1 1 49 49 LEU N N 49 118.686 118.686 118.627 0.059 18717 8276 1 15 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.061 0.004 18717 8277 1 15 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.314 0.800 18717 8278 1 15 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.570 0.023 18717 8279 1 15 . 1 1 49 49 LEU H H 49 8.671 8.671 7.542 1.129 18717 8280 1 15 . 1 1 50 50 GLY N N 50 103.264 103.264 106.358 -3.094 18717 8281 1 15 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.744 -0.198 18717 8282 1 15 . 1 1 50 50 GLY H H 50 7.422 7.422 7.451 -0.029 18717 8283 1 15 . 1 1 51 51 LYS N N 51 121.616 121.616 120.686 0.930 18717 8284 1 15 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.284 -0.014 18717 8285 1 15 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.790 0.538 18717 8286 1 15 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.971 1.205 18717 8287 1 15 . 1 1 51 51 LYS H H 51 7.227 7.227 7.716 -0.489 18717 8288 1 15 . 1 1 52 52 THR N N 52 112.472 112.472 113.316 -0.844 18717 8289 1 15 . 1 1 52 52 THR HA H 52 4.363 4.363 4.545 -0.182 18717 8290 1 15 . 1 1 52 52 THR CA C 52 60.280 60.280 60.660 -0.380 18717 8291 1 15 . 1 1 52 52 THR CB C 52 69.989 69.989 70.813 -0.824 18717 8292 1 15 . 1 1 52 52 THR H H 52 8.298 8.298 7.869 0.429 18717 8293 1 15 . 1 1 53 53 ASN N N 53 118.660 118.660 120.457 -1.797 18717 8294 1 15 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.460 -0.197 18717 8295 1 15 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.619 0.947 18717 8296 1 15 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.252 -0.062 18717 8297 1 15 . 1 1 53 53 ASN H H 53 8.739 8.739 8.748 -0.009 18717 8298 1 15 . 1 1 54 54 LYS N N 54 116.241 116.241 116.939 -0.698 18717 8299 1 15 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.076 0.008 18717 8300 1 15 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.952 -0.401 18717 8301 1 15 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.278 0.100 18717 8302 1 15 . 1 1 54 54 LYS H H 54 7.949 7.949 7.977 -0.028 18717 8303 1 15 . 1 1 55 55 GLN N N 55 116.389 116.389 117.158 -0.769 18717 8304 1 15 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.282 -0.099 18717 8305 1 15 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.934 -0.313 18717 8306 1 15 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.671 0.852 18717 8307 1 15 . 1 1 55 55 GLN H H 55 7.492 7.492 7.601 -0.109 18717 8308 1 15 . 1 1 56 56 LEU N N 56 120.014 120.014 121.606 -1.592 18717 8309 1 15 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.265 0.182 18717 8310 1 15 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.512 -0.187 18717 8311 1 15 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.205 0.820 18717 8312 1 15 . 1 1 56 56 LEU H H 56 7.137 7.137 7.812 -0.675 18717 8313 1 15 . 1 1 57 57 THR N N 57 115.673 115.673 119.590 -3.917 18717 8314 1 15 . 1 1 57 57 THR HA H 57 4.491 4.491 4.670 -0.179 18717 8315 1 15 . 1 1 57 57 THR CA C 57 59.638 59.638 60.262 -0.624 18717 8316 1 15 . 1 1 57 57 THR CB C 57 71.233 71.233 71.145 0.088 18717 8317 1 15 . 1 1 57 57 THR H H 57 8.986 8.986 8.410 0.576 18717 8318 1 15 . 1 1 58 58 ARG N N 58 121.180 121.180 121.643 -0.463 18717 8319 1 15 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.074 -0.197 18717 8320 1 15 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.568 0.249 18717 8321 1 15 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.473 -0.142 18717 8322 1 15 . 1 1 58 58 ARG H H 58 8.783 8.783 8.882 -0.099 18717 8323 1 15 . 1 1 59 59 SER N N 59 113.863 113.863 113.600 0.263 18717 8324 1 15 . 1 1 59 59 SER HA H 59 4.116 4.116 4.246 -0.130 18717 8325 1 15 . 1 1 59 59 SER CA C 59 60.988 60.988 61.617 -0.629 18717 8326 1 15 . 1 1 59 59 SER CB C 59 62.156 62.156 62.886 -0.731 18717 8327 1 15 . 1 1 59 59 SER H H 59 8.198 8.198 8.528 -0.330 18717 8328 1 15 . 1 1 60 60 ASP N N 60 122.780 122.780 120.783 1.997 18717 8329 1 15 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.561 -0.509 18717 8330 1 15 . 1 1 60 60 ASP CA C 60 56.538 56.538 57.038 -0.500 18717 8331 1 15 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.361 1.617 18717 8332 1 15 . 1 1 60 60 ASP H H 60 7.623 7.623 8.242 -0.619 18717 8333 1 15 . 1 1 61 61 ARG N N 61 117.219 117.219 120.118 -2.899 18717 8334 1 15 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.083 -0.364 18717 8335 1 15 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.714 -0.177 18717 8336 1 15 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.603 -0.999 18717 8337 1 15 . 1 1 61 61 ARG H H 61 7.966 7.966 8.085 -0.119 18717 8338 1 15 . 1 1 62 62 GLU N N 62 118.341 118.341 120.314 -1.973 18717 8339 1 15 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.138 -0.196 18717 8340 1 15 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.536 -0.500 18717 8341 1 15 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.014 0.469 18717 8342 1 15 . 1 1 62 62 GLU H H 62 7.556 7.556 8.634 -1.078 18717 8343 1 15 . 1 1 63 63 VAL N N 63 116.650 116.650 117.348 -0.698 18717 8344 1 15 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.956 -0.375 18717 8345 1 15 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.918 -0.301 18717 8346 1 15 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.309 -1.028 18717 8347 1 15 . 1 1 63 63 VAL H H 63 7.398 7.398 7.755 -0.357 18717 8348 1 15 . 1 1 64 64 LEU N N 64 121.502 121.502 121.999 -0.497 18717 8349 1 15 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.229 -0.521 18717 8350 1 15 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.739 -0.872 18717 8351 1 15 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.236 0.700 18717 8352 1 15 . 1 1 64 64 LEU H H 64 7.889 7.889 7.928 -0.039 18717 8353 1 15 . 1 1 65 65 ASP N N 65 119.200 119.200 118.354 0.846 18717 8354 1 15 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.351 0.041 18717 8355 1 15 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.635 -0.373 18717 8356 1 15 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.823 -1.098 18717 8357 1 15 . 1 1 65 65 ASP H H 65 7.846 7.846 8.114 -0.268 18717 8358 1 15 . 1 1 66 66 ASN N N 66 120.252 120.252 118.878 1.374 18717 8359 1 15 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.494 0.009 18717 8360 1 15 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.672 0.418 18717 8361 1 15 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.804 -0.785 18717 8362 1 15 . 1 1 66 66 ASN H H 66 7.480 7.480 7.706 -0.226 18717 8363 1 15 . 1 1 67 67 TRP N N 67 122.830 122.830 122.058 0.772 18717 8364 1 15 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.099 0.400 18717 8365 1 15 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.705 -2.418 18717 8366 1 15 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.807 -0.743 18717 8367 1 15 . 1 1 67 67 TRP H H 67 8.730 8.730 8.596 0.134 18717 8368 1 15 . 1 1 68 68 ARG N N 68 120.279 120.279 118.626 1.653 18717 8369 1 15 . 1 1 68 68 ARG HA H 68 4.843 4.843 2.838 2.005 18717 8370 1 15 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.376 -0.199 18717 8371 1 15 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.213 -0.907 18717 8372 1 15 . 1 1 68 68 ARG H H 68 7.976 7.976 7.401 0.575 18717 8373 1 15 . 1 1 69 69 GLU N N 69 121.656 121.656 120.602 1.054 18717 8374 1 15 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.084 0.198 18717 8375 1 15 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.713 0.592 18717 8376 1 15 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.288 0.694 18717 8377 1 15 . 1 1 69 69 GLU H H 69 8.676 8.676 7.337 1.339 18717 8378 1 15 . 1 1 70 70 LEU N N 70 120.066 120.066 120.400 -0.334 18717 8379 1 15 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.180 -0.045 18717 8380 1 15 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.703 0.298 18717 8381 1 15 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.095 0.275 18717 8382 1 15 . 1 1 70 70 LEU H H 70 7.963 7.963 7.982 -0.019 18717 8383 1 15 . 1 1 71 71 GLU N N 71 118.326 118.326 118.770 -0.444 18717 8384 1 15 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.988 -0.423 18717 8385 1 15 . 1 1 71 71 GLU CA C 71 59.318 59.318 58.975 0.343 18717 8386 1 15 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.985 0.185 18717 8387 1 15 . 1 1 71 71 GLU H H 71 8.278 8.278 7.659 0.619 18717 8388 1 15 . 1 1 72 72 MET N N 72 117.881 117.881 113.822 4.059 18717 8389 1 15 . 1 1 72 72 MET HA H 72 4.163 4.163 4.494 -0.331 18717 8390 1 15 . 1 1 72 72 MET CA C 72 57.906 57.906 57.338 0.568 18717 8391 1 15 . 1 1 72 72 MET CB C 72 32.006 32.006 33.106 -1.100 18717 8392 1 15 . 1 1 72 72 MET H H 72 7.966 7.966 7.411 0.555 18717 8393 1 15 . 1 1 73 73 LYS N N 73 119.844 119.844 118.474 1.370 18717 8394 1 15 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.329 -0.272 18717 8395 1 15 . 1 1 73 73 LYS CA C 73 58.117 58.117 56.757 1.360 18717 8396 1 15 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.614 -0.221 18717 8397 1 15 . 1 1 73 73 LYS H H 73 7.959 7.959 7.570 0.389 18717 8398 1 15 . 1 1 74 74 ALA N N 74 120.588 120.588 120.818 -0.230 18717 8399 1 15 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.270 -0.253 18717 8400 1 15 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.380 0.730 18717 8401 1 15 . 1 1 74 74 ALA CB C 74 18.496 18.496 18.764 -0.268 18717 8402 1 15 . 1 1 74 74 ALA H H 74 7.504 7.504 7.463 0.041 18717 8403 1 15 . 1 1 75 75 ARG N N 75 111.895 111.895 115.757 -3.862 18717 8404 1 15 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.943 -0.138 18717 8405 1 15 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.112 0.261 18717 8406 1 15 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.394 -0.998 18717 8407 1 15 . 1 1 75 75 ARG H H 75 7.550 7.550 8.134 -0.584 18717 8408 1 15 . 1 1 76 76 LYS N N 76 114.585 114.585 117.707 -3.122 18717 8409 1 15 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.305 -0.191 18717 8410 1 15 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.798 -0.296 18717 8411 1 15 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.242 -1.966 18717 8412 1 15 . 1 1 76 76 LYS H H 76 7.810 7.810 7.779 0.031 18717 8413 1 15 . 1 1 77 77 ARG N N 77 119.199 119.199 124.326 -5.127 18717 8414 1 15 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.406 -0.358 18717 8415 1 15 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.798 -0.109 18717 8416 1 15 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.328 1.148 18717 8417 1 15 . 1 1 77 77 ARG H H 77 7.916 7.916 8.458 -0.542 18717 8418 1 15 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.117 0.047 18717 8419 1 15 . 1 1 80 80 THR N N 80 110.230 110.230 112.851 -2.621 18717 8420 1 15 . 1 1 80 80 THR HA H 80 4.526 4.526 4.406 0.120 18717 8421 1 15 . 1 1 80 80 THR CA C 80 58.081 58.081 60.062 -1.981 18717 8422 1 15 . 1 1 80 80 THR CB C 80 67.980 67.980 70.568 -2.588 18717 8423 1 15 . 1 1 80 80 THR H H 80 6.530 6.530 7.361 -0.831 18717 8424 1 15 . 1 1 81 81 THR N N 81 114.552 114.552 117.086 -2.534 18717 8425 1 15 . 1 1 81 81 THR HA H 81 4.260 4.260 4.546 -0.286 18717 8426 1 15 . 1 1 81 81 THR CA C 81 61.767 61.767 63.098 -1.331 18717 8427 1 15 . 1 1 81 81 THR CB C 81 68.383 68.383 69.869 -1.486 18717 8428 1 15 . 1 1 81 81 THR H H 81 7.674 7.674 8.455 -0.781 18717 8429 1 15 . 1 1 82 82 LEU N N 82 127.155 127.155 124.145 3.010 18717 8430 1 15 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.316 -0.324 18717 8431 1 15 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.708 -0.994 18717 8432 1 15 . 1 1 82 82 LEU CB C 82 39.378 39.378 41.233 -1.855 18717 8433 1 15 . 1 1 82 82 LEU H H 82 8.465 8.465 7.485 0.980 18717 8434 1 15 . 1 1 83 83 PHE N N 83 113.552 113.552 116.687 -3.135 18717 8435 1 15 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.778 0.144 18717 8436 1 15 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.135 -0.471 18717 8437 1 15 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.807 1.242 18717 8438 1 15 . 1 1 83 83 PHE H H 83 6.370 6.370 6.943 -0.573 18717 8439 1 15 . 1 1 84 84 PHE N N 84 116.628 116.628 119.350 -2.722 18717 8440 1 15 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.172 0.103 18717 8441 1 15 . 1 1 84 84 PHE CA C 84 55.351 55.351 57.348 -1.997 18717 8442 1 15 . 1 1 84 84 PHE CB C 84 42.823 42.823 44.288 -1.465 18717 8443 1 15 . 1 1 84 84 PHE H H 84 9.579 9.579 9.030 0.549 18717 8444 1 15 . 1 1 85 85 ILE N N 85 113.827 113.827 115.260 -1.433 18717 8445 1 15 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.026 0.116 18717 8446 1 15 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.074 0.212 18717 8447 1 15 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.931 -0.644 18717 8448 1 15 . 1 1 85 85 ILE H H 85 9.410 9.410 8.252 1.158 18717 8449 1 15 . 1 1 86 86 GLU N N 86 124.724 124.724 123.114 1.610 18717 8450 1 15 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.030 -0.405 18717 8451 1 15 . 1 1 86 86 GLU CA C 86 60.716 60.716 59.528 1.188 18717 8452 1 15 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.819 -0.808 18717 8453 1 15 . 1 1 86 86 GLU H H 86 9.957 9.957 8.597 1.360 18717 8454 1 15 . 1 1 87 87 THR N N 87 106.336 106.336 110.004 -3.668 18717 8455 1 15 . 1 1 87 87 THR HA H 87 3.695 3.695 4.193 -0.498 18717 8456 1 15 . 1 1 87 87 THR CA C 87 63.680 63.680 64.334 -0.654 18717 8457 1 15 . 1 1 87 87 THR CB C 87 67.530 67.530 68.320 -0.790 18717 8458 1 15 . 1 1 87 87 THR H H 87 7.659 7.659 8.371 -0.712 18717 8459 1 15 . 1 1 88 88 ASP N N 88 119.814 119.814 119.661 0.153 18717 8460 1 15 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.941 -0.727 18717 8461 1 15 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.598 1.900 18717 8462 1 15 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.366 -1.285 18717 8463 1 15 . 1 1 88 88 ASP H H 88 7.605 7.605 7.723 -0.118 18717 8464 1 15 . 1 1 89 89 ILE N N 89 113.246 113.246 119.185 -5.939 18717 8465 1 15 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.382 -0.568 18717 8466 1 15 . 1 1 89 89 ILE CA C 89 58.507 58.507 62.776 -4.269 18717 8467 1 15 . 1 1 89 89 ILE CB C 89 36.800 36.800 40.112 -3.312 18717 8468 1 15 . 1 1 89 89 ILE H H 89 6.538 6.538 7.471 -0.933 18717 8469 1 15 . 1 1 90 90 ARG N N 90 119.499 119.499 122.788 -3.289 18717 8470 1 15 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.243 -0.627 18717 8471 1 15 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.012 1.053 18717 8472 1 15 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.329 0.564 18717 8473 1 15 . 1 1 90 90 ARG H H 90 7.721 7.721 8.594 -0.873 18717 8474 1 15 . 1 1 92 92 MET N N 92 113.492 113.492 116.474 -2.982 18717 8475 1 15 . 1 1 92 92 MET HA H 92 4.175 4.175 4.429 -0.254 18717 8476 1 15 . 1 1 92 92 MET CA C 92 55.799 55.799 56.398 -0.598 18717 8477 1 15 . 1 1 92 92 MET CB C 92 33.950 33.950 34.110 -0.160 18717 8478 1 15 . 1 1 92 92 MET H H 92 7.549 7.549 7.844 -0.295 18717 8479 1 15 . 1 1 93 93 LEU N N 93 117.943 117.943 119.974 -2.031 18717 8480 1 15 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.072 0.362 18717 8481 1 15 . 1 1 93 93 LEU CA C 93 52.855 52.855 57.506 -4.651 18717 8482 1 15 . 1 1 93 93 LEU CB C 93 42.859 42.859 41.994 0.865 18717 8483 1 15 . 1 1 93 93 LEU H H 93 7.297 7.297 7.717 -0.420 18717 8484 1 15 . 1 1 94 94 GLN N N 94 121.536 121.536 116.096 5.440 18717 8485 1 15 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.406 -0.238 18717 8486 1 15 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.171 0.920 18717 8487 1 15 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.624 -2.461 18717 8488 1 15 . 1 1 94 94 GLN H H 94 8.675 8.675 8.234 0.441 18717 8489 1 15 . 1 1 95 95 ASP N N 95 123.380 123.380 126.726 -3.346 18717 8490 1 15 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.389 -0.505 18717 8491 1 15 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.948 1.545 18717 8492 1 15 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.829 -0.649 18717 8493 1 15 . 1 1 95 95 ASP H H 95 8.804 8.804 8.844 -0.040 18717 8494 1 15 . 1 1 96 96 ARG N N 96 115.337 115.337 118.790 -3.453 18717 8495 1 15 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.385 -0.296 18717 8496 1 15 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.626 1.181 18717 8497 1 15 . 1 1 96 96 ARG CB C 96 29.431 29.431 28.997 0.434 18717 8498 1 15 . 1 1 96 96 ARG H H 96 8.652 8.652 8.362 0.290 18717 8499 1 15 . 1 1 97 97 LEU N N 97 118.485 118.485 120.950 -2.465 18717 8500 1 15 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.241 0.149 18717 8501 1 15 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.106 -0.695 18717 8502 1 15 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.809 1.285 18717 8503 1 15 . 1 1 97 97 LEU H H 97 7.776 7.776 7.411 0.365 18717 8504 1 15 . 1 1 98 98 ARG N N 98 119.863 119.863 116.520 3.343 18717 8505 1 15 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.087 -0.178 18717 8506 1 15 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.474 5.817 18717 8507 1 15 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.526 -0.702 18717 8508 1 15 . 1 1 98 98 ARG H H 98 7.553 7.553 7.413 0.140 18717 8509 1 15 . 1 1 100 100 SER N N 100 111.387 111.387 116.807 -5.420 18717 8510 1 15 . 1 1 100 100 SER HA H 100 4.360 4.360 4.392 -0.032 18717 8511 1 15 . 1 1 100 100 SER CA C 100 59.923 59.923 59.644 0.279 18717 8512 1 15 . 1 1 100 100 SER CB C 100 63.304 63.304 64.060 -0.756 18717 8513 1 15 . 1 1 100 100 SER H H 100 7.616 7.616 8.676 -1.060 18717 8514 1 15 . 1 1 101 101 PHE N N 101 123.367 123.367 123.818 -0.451 18717 8515 1 15 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.056 -0.350 18717 8516 1 15 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.029 1.687 18717 8517 1 15 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.744 -0.099 18717 8518 1 15 . 1 1 101 101 PHE H H 101 7.722 7.722 8.087 -0.365 18717 8519 1 15 . 1 1 102 102 ALA N N 102 117.466 117.466 118.547 -1.081 18717 8520 1 15 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.112 -0.236 18717 8521 1 15 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.645 -0.107 18717 8522 1 15 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.090 0.040 18717 8523 1 15 . 1 1 102 102 ALA H H 102 8.525 8.525 8.815 -0.290 18717 8524 1 15 . 1 1 103 103 LYS N N 103 115.077 115.077 115.541 -0.464 18717 8525 1 15 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.308 -0.243 18717 8526 1 15 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.606 -0.870 18717 8527 1 15 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.308 -1.261 18717 8528 1 15 . 1 1 103 103 LYS H H 103 7.000 7.000 7.921 -0.921 18717 8529 1 15 . 1 1 104 104 ALA N N 104 119.948 119.948 121.626 -1.678 18717 8530 1 15 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.410 -0.603 18717 8531 1 15 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.601 0.398 18717 8532 1 15 . 1 1 104 104 ALA CB C 104 17.915 17.915 19.422 -1.507 18717 8533 1 15 . 1 1 104 104 ALA H H 104 7.955 7.955 7.798 0.157 18717 8534 1 15 . 1 1 105 105 ILE N N 105 116.011 116.011 120.472 -4.461 18717 8535 1 15 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.940 -0.491 18717 8536 1 15 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.390 -1.191 18717 8537 1 15 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.219 -2.222 18717 8538 1 15 . 1 1 105 105 ILE H H 105 7.030 7.030 8.685 -1.655 18717 8539 1 15 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.450 -0.417 18717 8540 1 15 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.620 0.302 18717 8541 1 15 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.894 0.069 18717 8542 1 15 . 1 1 107 107 CYS N N 107 115.533 115.533 116.128 -0.595 18717 8543 1 15 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.418 -0.544 18717 8544 1 15 . 1 1 107 107 CYS CA C 107 61.937 61.937 62.063 -0.126 18717 8545 1 15 . 1 1 107 107 CYS CB C 107 26.904 26.904 28.489 -1.585 18717 8546 1 15 . 1 1 107 107 CYS H H 107 6.558 6.558 7.838 -1.280 18717 8547 1 15 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.086 -0.233 18717 8548 1 15 . 1 1 109 109 ARG N N 109 120.576 120.576 118.536 2.040 18717 8549 1 15 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.177 0.215 18717 8550 1 15 . 1 1 109 109 ARG CA C 109 58.461 58.461 59.048 -0.587 18717 8551 1 15 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.861 0.406 18717 8552 1 15 . 1 1 109 109 ARG H H 109 8.507 8.507 7.874 0.633 18717 8553 1 15 . 1 1 110 110 HIS N N 110 122.218 122.218 119.426 2.792 18717 8554 1 15 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.391 -0.305 18717 8555 1 15 . 1 1 110 110 HIS CA C 110 60.758 60.758 58.477 2.281 18717 8556 1 15 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.964 0.931 18717 8557 1 15 . 1 1 110 110 HIS H H 110 7.998 7.998 7.858 0.140 18717 8558 1 15 . 1 1 111 111 ILE N N 111 105.612 105.612 111.510 -5.898 18717 8559 1 15 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.233 0.097 18717 8560 1 15 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.271 -0.678 18717 8561 1 15 . 1 1 111 111 ILE CB C 111 36.950 36.950 39.632 -2.682 18717 8562 1 15 . 1 1 111 111 ILE H H 111 6.904 6.904 7.440 -0.536 18717 8563 1 15 . 1 1 112 112 ARG N N 112 114.782 114.782 118.039 -3.257 18717 8564 1 15 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.161 -0.260 18717 8565 1 15 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.922 0.393 18717 8566 1 15 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.913 -0.673 18717 8567 1 15 . 1 1 112 112 ARG H H 112 7.660 7.660 8.157 -0.497 18717 8568 1 15 . 1 1 113 113 ARG N N 113 114.996 114.996 118.434 -3.438 18717 8569 1 15 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.404 -0.154 18717 8570 1 15 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.492 -0.839 18717 8571 1 15 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.395 0.727 18717 8572 1 15 . 1 1 113 113 ARG H H 113 8.149 8.149 7.901 0.248 18717 8573 1 15 . 1 1 114 114 ILE N N 114 112.019 112.019 110.191 1.828 18717 8574 1 15 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.703 0.171 18717 8575 1 15 . 1 1 114 114 ILE CA C 114 56.602 56.602 58.988 -2.386 18717 8576 1 15 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.773 0.627 18717 8577 1 15 . 1 1 114 114 ILE H H 114 6.810 6.810 7.386 -0.576 18717 8578 1 15 . 1 1 115 115 ARG N N 115 122.894 122.894 118.537 4.357 18717 8579 1 15 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.706 -0.349 18717 8580 1 15 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.187 -0.075 18717 8581 1 15 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.269 -1.211 18717 8582 1 15 . 1 1 115 115 ARG H H 115 8.822 8.822 8.372 0.450 18717 8583 1 15 . 1 1 116 116 GLU N N 116 118.962 118.962 119.163 -0.201 18717 8584 1 15 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.973 0.342 18717 8585 1 15 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.895 -1.793 18717 8586 1 15 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.383 2.551 18717 8587 1 15 . 1 1 116 116 GLU H H 116 8.329 8.329 8.493 -0.164 18717 8588 1 15 . 1 1 117 117 GLU N N 117 124.627 124.627 124.882 -0.255 18717 8589 1 15 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.657 -0.126 18717 8590 1 15 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.272 -0.160 18717 8591 1 15 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.095 1.238 18717 8592 1 15 . 1 1 117 117 GLU H H 117 9.028 9.028 8.766 0.262 18717 8593 1 15 . 1 1 118 118 ARG N N 118 127.916 127.916 128.881 -0.965 18717 8594 1 15 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.287 0.325 18717 8595 1 15 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.651 0.141 18717 8596 1 15 . 1 1 118 118 ARG CB C 118 30.141 30.141 28.927 1.214 18717 8597 1 15 . 1 1 118 118 ARG H H 118 8.952 8.952 8.742 0.210 18717 8598 1 15 . 1 1 119 119 CYS N N 119 126.785 126.785 128.010 -1.225 18717 8599 1 15 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.640 0.018 18717 8600 1 15 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.942 -1.494 18717 8601 1 15 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.259 0.933 18717 8602 1 15 . 1 1 119 119 CYS H H 119 8.831 8.831 8.214 0.617 18717 8603 1 15 . 1 1 120 120 GLY N N 120 117.456 117.456 114.318 3.138 18717 8604 1 15 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.253 -0.741 18717 8605 1 15 . 1 1 120 120 GLY H H 120 8.873 8.873 8.254 0.619 18717 8606 1 15 . 1 1 122 122 LEU N N 122 121.777 121.777 119.439 2.338 18717 8607 1 15 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.559 -0.121 18717 8608 1 15 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.238 0.371 18717 8609 1 15 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.770 0.209 18717 8610 1 15 . 1 1 122 122 LEU H H 122 7.270 7.270 7.297 -0.027 18717 8611 1 15 . 1 1 123 123 THR N N 123 118.668 118.668 114.056 4.612 18717 8612 1 15 . 1 1 123 123 THR HA H 123 4.407 4.407 4.653 -0.246 18717 8613 1 15 . 1 1 123 123 THR CA C 123 61.769 61.769 61.889 -0.120 18717 8614 1 15 . 1 1 123 123 THR CB C 123 69.263 69.263 70.867 -1.604 18717 8615 1 15 . 1 1 123 123 THR H H 123 7.649 7.649 7.947 -0.298 18717 8616 1 15 . 1 1 124 124 PHE N N 124 125.265 125.265 123.572 1.693 18717 8617 1 15 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.598 -1.327 18717 8618 1 15 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.583 1.004 18717 8619 1 15 . 1 1 124 124 PHE CB C 124 42.028 42.028 42.386 -0.358 18717 8620 1 15 . 1 1 124 124 PHE H H 124 8.553 8.553 8.607 -0.054 18717 8621 1 15 . 1 1 125 125 TYR N N 125 118.544 118.544 115.733 2.811 18717 8622 1 15 . 1 1 125 125 TYR HA H 125 5.286 5.286 5.138 0.148 18717 8623 1 15 . 1 1 125 125 TYR CA C 125 55.750 55.750 57.151 -1.401 18717 8624 1 15 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.383 -1.265 18717 8625 1 15 . 1 1 125 125 TYR H H 125 8.616 8.616 9.066 -0.450 18717 8626 1 15 . 1 1 126 126 TYR N N 126 115.848 115.848 118.583 -2.735 18717 8627 1 15 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.620 -0.360 18717 8628 1 15 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.221 0.708 18717 8629 1 15 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.817 -1.875 18717 8630 1 15 . 1 1 126 126 TYR H H 126 8.357 8.357 8.134 0.223 18717 8631 1 15 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.467 0.155 18717 8632 1 15 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.839 0.090 18717 8633 1 15 . 1 1 128 128 GLY N N 128 108.039 108.039 112.596 -4.557 18717 8634 1 15 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.633 -0.926 18717 8635 1 15 . 1 1 128 128 GLY H H 128 7.730 7.730 8.415 -0.685 18717 8636 1 15 . 1 1 129 129 SER N N 129 114.228 114.228 118.075 -3.847 18717 8637 1 15 . 1 1 129 129 SER HA H 129 4.438 4.438 4.363 0.075 18717 8638 1 15 . 1 1 129 129 SER CA C 129 57.566 57.566 58.913 -1.347 18717 8639 1 15 . 1 1 129 129 SER CB C 129 63.772 63.772 64.477 -0.705 18717 8640 1 15 . 1 1 129 129 SER H H 129 8.102 8.102 8.387 -0.285 18717 8641 1 16 . 1 1 3 3 ASP N N 3 120.763 120.763 121.603 -0.840 18717 8642 1 16 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.496 -0.009 18717 8643 1 16 . 1 1 3 3 ASP CA C 3 54.131 54.131 54.760 -0.629 18717 8644 1 16 . 1 1 3 3 ASP CB C 3 40.887 40.887 41.371 -0.484 18717 8645 1 16 . 1 1 3 3 ASP H H 3 8.327 8.327 8.481 -0.154 18717 8646 1 16 . 1 1 4 4 ILE N N 4 121.147 121.147 116.811 4.336 18717 8647 1 16 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.461 -0.416 18717 8648 1 16 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.369 1.354 18717 8649 1 16 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.786 -1.326 18717 8650 1 16 . 1 1 4 4 ILE H H 4 7.971 7.971 8.070 -0.099 18717 8651 1 16 . 1 1 5 5 ARG N N 5 123.685 123.685 122.043 1.642 18717 8652 1 16 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.174 0.297 18717 8653 1 16 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.146 -2.727 18717 8654 1 16 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.245 -0.103 18717 8655 1 16 . 1 1 5 5 ARG H H 5 8.067 8.067 8.439 -0.372 18717 8656 1 16 . 1 1 6 6 ILE N N 6 124.881 124.881 121.572 3.309 18717 8657 1 16 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.148 -0.365 18717 8658 1 16 . 1 1 6 6 ILE CA C 6 63.441 63.441 62.212 1.229 18717 8659 1 16 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.157 -0.974 18717 8660 1 16 . 1 1 6 6 ILE H H 6 9.083 9.083 8.572 0.511 18717 8661 1 16 . 1 1 7 7 VAL N N 7 120.527 120.527 112.930 7.597 18717 8662 1 16 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.507 -0.416 18717 8663 1 16 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.794 -0.129 18717 8664 1 16 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.145 -1.453 18717 8665 1 16 . 1 1 7 7 VAL H H 7 9.067 9.067 8.243 0.824 18717 8666 1 16 . 1 1 9 9 GLN N N 9 120.479 120.479 117.780 2.699 18717 8667 1 16 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.188 -0.328 18717 8668 1 16 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.948 -1.049 18717 8669 1 16 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.046 0.776 18717 8670 1 16 . 1 1 9 9 GLN H H 9 8.305 8.305 8.480 -0.175 18717 8671 1 16 . 1 1 10 10 ILE N N 10 125.746 125.746 118.938 6.808 18717 8672 1 16 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.451 -0.401 18717 8673 1 16 . 1 1 10 10 ILE CA C 10 60.287 60.287 60.011 0.276 18717 8674 1 16 . 1 1 10 10 ILE CB C 10 37.150 37.150 38.499 -1.349 18717 8675 1 16 . 1 1 10 10 ILE H H 10 10.040 10.040 8.267 1.773 18717 8676 1 16 . 1 1 11 11 THR HA H 11 4.459 4.459 4.359 0.100 18717 8677 1 16 . 1 1 11 11 THR CA C 11 60.124 60.124 61.162 -1.038 18717 8678 1 16 . 1 1 11 11 THR CB C 11 71.036 71.036 69.798 1.238 18717 8679 1 16 . 1 1 12 12 ASP N N 12 121.634 121.634 121.184 0.450 18717 8680 1 16 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.375 -0.142 18717 8681 1 16 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.535 0.256 18717 8682 1 16 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.284 0.561 18717 8683 1 16 . 1 1 12 12 ASP H H 12 8.892 8.892 8.733 0.159 18717 8684 1 16 . 1 1 13 13 GLU N N 13 117.207 117.207 118.111 -0.904 18717 8685 1 16 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.065 -0.216 18717 8686 1 16 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.860 0.823 18717 8687 1 16 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.347 -0.192 18717 8688 1 16 . 1 1 13 13 GLU H H 13 8.421 8.421 8.726 -0.305 18717 8689 1 16 . 1 1 14 14 GLU N N 14 118.579 118.579 116.138 2.441 18717 8690 1 16 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.408 -0.431 18717 8691 1 16 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.839 1.654 18717 8692 1 16 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.046 1.369 18717 8693 1 16 . 1 1 14 14 GLU H H 14 7.647 7.647 7.772 -0.125 18717 8694 1 16 . 1 1 15 15 PHE N N 15 122.867 122.867 122.478 0.389 18717 8695 1 16 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.308 -0.463 18717 8696 1 16 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.655 0.351 18717 8697 1 16 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.450 0.407 18717 8698 1 16 . 1 1 15 15 PHE H H 15 8.823 8.823 7.981 0.842 18717 8699 1 16 . 1 1 16 16 LYS N N 16 115.192 115.192 118.691 -3.499 18717 8700 1 16 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.174 -0.211 18717 8701 1 16 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.699 -0.613 18717 8702 1 16 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.860 0.748 18717 8703 1 16 . 1 1 16 16 LYS H H 16 7.742 7.742 8.684 -0.942 18717 8704 1 16 . 1 1 17 17 THR N N 17 108.709 108.709 114.637 -5.928 18717 8705 1 16 . 1 1 17 17 THR HA H 17 4.269 4.269 4.270 -0.001 18717 8706 1 16 . 1 1 17 17 THR CA C 17 61.767 61.767 63.339 -1.572 18717 8707 1 16 . 1 1 17 17 THR CB C 17 69.956 69.956 69.496 0.460 18717 8708 1 16 . 1 1 17 17 THR H H 17 7.518 7.518 7.642 -0.124 18717 8709 1 16 . 1 1 18 18 ILE N N 18 124.707 124.707 119.592 5.115 18717 8710 1 16 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.618 -1.006 18717 8711 1 16 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.189 2.212 18717 8712 1 16 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.509 -0.226 18717 8713 1 16 . 1 1 18 18 ILE H H 18 7.063 7.063 7.103 -0.040 18717 8714 1 16 . 1 1 20 20 LYS N N 20 124.646 124.646 117.511 7.135 18717 8715 1 16 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.840 -0.131 18717 8716 1 16 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.011 0.169 18717 8717 1 16 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.133 0.306 18717 8718 1 16 . 1 1 20 20 LYS H H 20 8.639 8.639 8.456 0.183 18717 8719 1 16 . 1 1 21 21 TYR N N 21 115.093 115.093 117.588 -2.495 18717 8720 1 16 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.331 -0.017 18717 8721 1 16 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.516 -0.602 18717 8722 1 16 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.369 -1.192 18717 8723 1 16 . 1 1 21 21 TYR H H 21 7.897 7.897 7.626 0.271 18717 8724 1 16 . 1 1 22 22 GLN N N 22 119.745 119.745 116.372 3.373 18717 8725 1 16 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.405 -0.479 18717 8726 1 16 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.658 -0.052 18717 8727 1 16 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.509 -1.044 18717 8728 1 16 . 1 1 22 22 GLN H H 22 6.759 6.759 8.105 -1.346 18717 8729 1 16 . 1 1 23 23 LEU N N 23 118.619 118.619 116.214 2.405 18717 8730 1 16 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.213 -0.361 18717 8731 1 16 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.276 0.293 18717 8732 1 16 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.396 1.194 18717 8733 1 16 . 1 1 23 23 LEU H H 23 7.115 7.115 8.149 -1.034 18717 8734 1 16 . 1 1 24 24 GLY N N 24 103.606 103.606 107.155 -3.549 18717 8735 1 16 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.562 0.361 18717 8736 1 16 . 1 1 24 24 GLY H H 24 7.541 7.541 8.095 -0.554 18717 8737 1 16 . 1 1 25 25 ARG N N 25 126.033 126.033 120.243 5.790 18717 8738 1 16 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.448 -0.168 18717 8739 1 16 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.685 -0.312 18717 8740 1 16 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.761 -1.815 18717 8741 1 16 . 1 1 25 25 ARG H H 25 8.850 8.850 7.996 0.854 18717 8742 1 16 . 1 1 26 26 LEU N N 26 121.287 121.287 119.642 1.645 18717 8743 1 16 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.443 -0.185 18717 8744 1 16 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.650 1.946 18717 8745 1 16 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.697 -0.952 18717 8746 1 16 . 1 1 26 26 LEU H H 26 8.017 8.017 7.699 0.318 18717 8747 1 16 . 1 1 27 27 THR N N 27 110.943 110.943 109.780 1.163 18717 8748 1 16 . 1 1 27 27 THR HA H 27 4.626 4.626 4.776 -0.150 18717 8749 1 16 . 1 1 27 27 THR CA C 27 58.272 58.272 60.255 -1.983 18717 8750 1 16 . 1 1 27 27 THR H H 27 7.129 7.129 7.749 -0.620 18717 8751 1 16 . 1 1 28 28 LEU N N 28 124.601 124.601 122.886 1.715 18717 8752 1 16 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.758 -0.531 18717 8753 1 16 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.720 -0.886 18717 8754 1 16 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.447 -1.535 18717 8755 1 16 . 1 1 28 28 LEU H H 28 8.404 8.404 7.937 0.467 18717 8756 1 16 . 1 1 29 29 GLU N N 29 117.021 117.021 118.969 -1.948 18717 8757 1 16 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.964 -0.078 18717 8758 1 16 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.626 0.341 18717 8759 1 16 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.186 -0.373 18717 8760 1 16 . 1 1 29 29 GLU H H 29 8.361 8.361 8.695 -0.334 18717 8761 1 16 . 1 1 30 30 MET N N 30 119.159 119.159 117.318 1.841 18717 8762 1 16 . 1 1 30 30 MET HA H 30 3.999 3.999 4.402 -0.403 18717 8763 1 16 . 1 1 30 30 MET CA C 30 58.946 58.946 57.873 1.073 18717 8764 1 16 . 1 1 30 30 MET CB C 30 31.941 31.941 32.096 -0.155 18717 8765 1 16 . 1 1 30 30 MET H H 30 7.541 7.541 7.471 0.070 18717 8766 1 16 . 1 1 31 31 MET N N 31 117.316 117.316 118.096 -0.780 18717 8767 1 16 . 1 1 31 31 MET HA H 31 3.833 3.833 3.940 -0.107 18717 8768 1 16 . 1 1 31 31 MET CA C 31 58.966 58.966 59.757 -0.791 18717 8769 1 16 . 1 1 31 31 MET CB C 31 32.253 32.253 32.374 -0.121 18717 8770 1 16 . 1 1 31 31 MET H H 31 8.310 8.310 8.264 0.046 18717 8771 1 16 . 1 1 32 32 ASN N N 32 116.639 116.639 118.987 -2.348 18717 8772 1 16 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.372 0.586 18717 8773 1 16 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.048 -2.773 18717 8774 1 16 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.684 -1.769 18717 8775 1 16 . 1 1 32 32 ASN H H 32 8.728 8.728 8.656 0.072 18717 8776 1 16 . 1 1 33 33 GLU N N 33 125.338 125.338 118.863 6.475 18717 8777 1 16 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.171 0.015 18717 8778 1 16 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.645 0.866 18717 8779 1 16 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.360 -0.132 18717 8780 1 16 . 1 1 33 33 GLU H H 33 7.918 7.918 7.926 -0.008 18717 8781 1 16 . 1 1 34 34 ILE N N 34 119.962 119.962 121.562 -1.600 18717 8782 1 16 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.609 -0.138 18717 8783 1 16 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.114 0.680 18717 8784 1 16 . 1 1 34 34 ILE CB C 34 37.922 37.922 38.043 -0.121 18717 8785 1 16 . 1 1 34 34 ILE H H 34 7.576 7.576 7.358 0.218 18717 8786 1 16 . 1 1 35 35 VAL N N 35 119.021 119.021 118.375 0.646 18717 8787 1 16 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.803 -0.228 18717 8788 1 16 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.798 0.347 18717 8789 1 16 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.839 0.660 18717 8790 1 16 . 1 1 35 35 VAL H H 35 8.657 8.657 8.597 0.060 18717 8791 1 16 . 1 1 36 36 SER N N 36 114.977 114.977 116.144 -1.167 18717 8792 1 16 . 1 1 36 36 SER HA H 36 4.171 4.171 4.245 -0.074 18717 8793 1 16 . 1 1 36 36 SER CA C 36 61.604 61.604 61.595 0.009 18717 8794 1 16 . 1 1 36 36 SER CB C 36 62.415 62.415 63.134 -0.719 18717 8795 1 16 . 1 1 36 36 SER H H 36 8.175 8.175 7.883 0.292 18717 8796 1 16 . 1 1 37 37 LYS N N 37 119.000 119.000 122.076 -3.076 18717 8797 1 16 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.057 0.120 18717 8798 1 16 . 1 1 37 37 LYS CA C 37 57.155 57.155 59.177 -2.022 18717 8799 1 16 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.315 -1.935 18717 8800 1 16 . 1 1 37 37 LYS H H 37 7.283 7.283 7.684 -0.401 18717 8801 1 16 . 1 1 38 38 MET N N 38 119.061 119.061 117.048 2.013 18717 8802 1 16 . 1 1 38 38 MET HA H 38 3.430 3.430 3.920 -0.490 18717 8803 1 16 . 1 1 38 38 MET CA C 38 59.676 59.676 59.555 0.121 18717 8804 1 16 . 1 1 38 38 MET CB C 38 31.961 31.961 32.274 -0.313 18717 8805 1 16 . 1 1 38 38 MET H H 38 7.740 7.740 7.940 -0.200 18717 8806 1 16 . 1 1 39 39 ASP N N 39 118.445 118.445 119.269 -0.824 18717 8807 1 16 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.519 -0.429 18717 8808 1 16 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.549 1.224 18717 8809 1 16 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.576 2.566 18717 8810 1 16 . 1 1 39 39 ASP H H 39 8.603 8.603 8.046 0.557 18717 8811 1 16 . 1 1 40 40 ASP N N 40 117.427 117.427 120.027 -2.600 18717 8812 1 16 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.431 -0.242 18717 8813 1 16 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.471 -0.144 18717 8814 1 16 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.793 0.248 18717 8815 1 16 . 1 1 40 40 ASP H H 40 8.397 8.397 7.396 1.001 18717 8816 1 16 . 1 1 41 41 PHE N N 41 119.507 119.507 121.636 -2.129 18717 8817 1 16 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.410 -0.439 18717 8818 1 16 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.215 1.947 18717 8819 1 16 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.134 0.364 18717 8820 1 16 . 1 1 41 41 PHE H H 41 8.248 8.248 7.951 0.297 18717 8821 1 16 . 1 1 42 42 LEU N N 42 118.072 118.072 120.457 -2.385 18717 8822 1 16 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.957 -0.232 18717 8823 1 16 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.640 -0.472 18717 8824 1 16 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.308 0.341 18717 8825 1 16 . 1 1 42 42 LEU H H 42 8.203 8.203 8.271 -0.068 18717 8826 1 16 . 1 1 43 43 MET N N 43 121.878 121.878 118.833 3.045 18717 8827 1 16 . 1 1 43 43 MET HA H 43 4.063 4.063 4.098 -0.035 18717 8828 1 16 . 1 1 43 43 MET CA C 43 57.664 57.664 59.156 -1.492 18717 8829 1 16 . 1 1 43 43 MET CB C 43 30.833 30.833 32.623 -1.790 18717 8830 1 16 . 1 1 43 43 MET H H 43 9.073 9.073 8.183 0.890 18717 8831 1 16 . 1 1 44 44 LYS N N 44 122.276 122.276 118.666 3.610 18717 8832 1 16 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.101 -0.236 18717 8833 1 16 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.399 0.085 18717 8834 1 16 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.127 -0.602 18717 8835 1 16 . 1 1 44 44 LYS H H 44 7.678 7.678 7.955 -0.277 18717 8836 1 16 . 1 1 46 46 SER N N 46 113.504 113.504 113.234 0.270 18717 8837 1 16 . 1 1 46 46 SER HA H 46 3.744 3.744 4.139 -0.395 18717 8838 1 16 . 1 1 46 46 SER CA C 46 61.358 61.358 61.135 0.223 18717 8839 1 16 . 1 1 46 46 SER CB C 46 62.674 62.674 63.010 -0.336 18717 8840 1 16 . 1 1 46 46 SER H H 46 8.467 8.467 7.848 0.619 18717 8841 1 16 . 1 1 47 47 LYS N N 47 120.235 120.235 120.665 -0.430 18717 8842 1 16 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.176 -0.221 18717 8843 1 16 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.479 0.335 18717 8844 1 16 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.895 0.118 18717 8845 1 16 . 1 1 47 47 LYS H H 47 7.659 7.659 7.476 0.183 18717 8846 1 16 . 1 1 48 48 ILE N N 48 120.699 120.699 118.864 1.835 18717 8847 1 16 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.901 -0.436 18717 8848 1 16 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.919 2.173 18717 8849 1 16 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.486 -0.539 18717 8850 1 16 . 1 1 48 48 ILE H H 48 7.803 7.803 7.351 0.452 18717 8851 1 16 . 1 1 49 49 LEU N N 49 118.686 118.686 118.410 0.276 18717 8852 1 16 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.093 -0.028 18717 8853 1 16 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.576 0.538 18717 8854 1 16 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.651 -0.058 18717 8855 1 16 . 1 1 49 49 LEU H H 49 8.671 8.671 7.583 1.088 18717 8856 1 16 . 1 1 50 50 GLY N N 50 103.264 103.264 105.245 -1.981 18717 8857 1 16 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.904 -0.358 18717 8858 1 16 . 1 1 50 50 GLY H H 50 7.422 7.422 7.728 -0.306 18717 8859 1 16 . 1 1 51 51 LYS N N 51 121.616 121.616 121.135 0.481 18717 8860 1 16 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.331 -0.061 18717 8861 1 16 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.452 0.876 18717 8862 1 16 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.596 1.580 18717 8863 1 16 . 1 1 51 51 LYS H H 51 7.227 7.227 7.550 -0.323 18717 8864 1 16 . 1 1 52 52 THR N N 52 112.472 112.472 109.360 3.112 18717 8865 1 16 . 1 1 52 52 THR HA H 52 4.363 4.363 4.609 -0.246 18717 8866 1 16 . 1 1 52 52 THR CA C 52 60.280 60.280 59.280 1.000 18717 8867 1 16 . 1 1 52 52 THR CB C 52 69.989 69.989 71.952 -1.963 18717 8868 1 16 . 1 1 52 52 THR H H 52 8.298 8.298 7.779 0.519 18717 8869 1 16 . 1 1 53 53 ASN N N 53 118.660 118.660 118.552 0.108 18717 8870 1 16 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.486 -0.223 18717 8871 1 16 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.532 1.034 18717 8872 1 16 . 1 1 53 53 ASN CB C 53 38.190 38.190 37.745 0.445 18717 8873 1 16 . 1 1 53 53 ASN H H 53 8.739 8.739 8.831 -0.092 18717 8874 1 16 . 1 1 54 54 LYS N N 54 116.241 116.241 117.966 -1.725 18717 8875 1 16 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.175 -0.091 18717 8876 1 16 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.954 -0.403 18717 8877 1 16 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.256 0.122 18717 8878 1 16 . 1 1 54 54 LYS H H 54 7.949 7.949 7.628 0.321 18717 8879 1 16 . 1 1 55 55 GLN N N 55 116.389 116.389 117.672 -1.283 18717 8880 1 16 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.333 -0.150 18717 8881 1 16 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.750 -0.129 18717 8882 1 16 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.748 0.775 18717 8883 1 16 . 1 1 55 55 GLN H H 55 7.492 7.492 7.574 -0.082 18717 8884 1 16 . 1 1 56 56 LEU N N 56 120.014 120.014 121.452 -1.438 18717 8885 1 16 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.233 0.214 18717 8886 1 16 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.947 -0.621 18717 8887 1 16 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.351 0.673 18717 8888 1 16 . 1 1 56 56 LEU H H 56 7.137 7.137 8.193 -1.056 18717 8889 1 16 . 1 1 57 57 THR N N 57 115.673 115.673 115.515 0.158 18717 8890 1 16 . 1 1 57 57 THR HA H 57 4.491 4.491 4.630 -0.139 18717 8891 1 16 . 1 1 57 57 THR CA C 57 59.638 59.638 59.528 0.110 18717 8892 1 16 . 1 1 57 57 THR CB C 57 71.233 71.233 71.095 0.138 18717 8893 1 16 . 1 1 57 57 THR H H 57 8.986 8.986 7.921 1.065 18717 8894 1 16 . 1 1 58 58 ARG N N 58 121.180 121.180 120.527 0.653 18717 8895 1 16 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.038 -0.161 18717 8896 1 16 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.451 0.366 18717 8897 1 16 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.774 -0.443 18717 8898 1 16 . 1 1 58 58 ARG H H 58 8.783 8.783 8.859 -0.076 18717 8899 1 16 . 1 1 59 59 SER N N 59 113.863 113.863 113.757 0.106 18717 8900 1 16 . 1 1 59 59 SER HA H 59 4.116 4.116 4.188 -0.072 18717 8901 1 16 . 1 1 59 59 SER CA C 59 60.988 60.988 61.684 -0.696 18717 8902 1 16 . 1 1 59 59 SER CB C 59 62.156 62.156 62.592 -0.436 18717 8903 1 16 . 1 1 59 59 SER H H 59 8.198 8.198 8.253 -0.055 18717 8904 1 16 . 1 1 60 60 ASP N N 60 122.780 122.780 121.351 1.429 18717 8905 1 16 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.567 -0.515 18717 8906 1 16 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.392 0.146 18717 8907 1 16 . 1 1 60 60 ASP CB C 60 41.978 41.978 41.043 0.935 18717 8908 1 16 . 1 1 60 60 ASP H H 60 7.623 7.623 7.576 0.047 18717 8909 1 16 . 1 1 61 61 ARG N N 61 117.219 117.219 119.536 -2.317 18717 8910 1 16 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.082 -0.363 18717 8911 1 16 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.610 -0.073 18717 8912 1 16 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.508 -0.904 18717 8913 1 16 . 1 1 61 61 ARG H H 61 7.966 7.966 7.880 0.086 18717 8914 1 16 . 1 1 62 62 GLU N N 62 118.341 118.341 120.332 -1.991 18717 8915 1 16 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.089 -0.147 18717 8916 1 16 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.404 -0.368 18717 8917 1 16 . 1 1 62 62 GLU CB C 62 29.483 29.483 28.936 0.547 18717 8918 1 16 . 1 1 62 62 GLU H H 62 7.556 7.556 8.382 -0.826 18717 8919 1 16 . 1 1 63 63 VAL N N 63 116.650 116.650 117.051 -0.401 18717 8920 1 16 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.540 0.041 18717 8921 1 16 . 1 1 63 63 VAL CA C 63 64.617 64.617 64.381 0.236 18717 8922 1 16 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.629 -0.348 18717 8923 1 16 . 1 1 63 63 VAL H H 63 7.398 7.398 7.554 -0.156 18717 8924 1 16 . 1 1 64 64 LEU N N 64 121.502 121.502 121.613 -0.111 18717 8925 1 16 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.369 -0.661 18717 8926 1 16 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.615 -0.748 18717 8927 1 16 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.229 0.707 18717 8928 1 16 . 1 1 64 64 LEU H H 64 7.889 7.889 7.887 0.002 18717 8929 1 16 . 1 1 65 65 ASP N N 65 119.200 119.200 118.624 0.576 18717 8930 1 16 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.400 -0.008 18717 8931 1 16 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.858 -0.596 18717 8932 1 16 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.809 -1.084 18717 8933 1 16 . 1 1 65 65 ASP H H 65 7.846 7.846 8.008 -0.162 18717 8934 1 16 . 1 1 66 66 ASN N N 66 120.252 120.252 119.419 0.833 18717 8935 1 16 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.687 -0.184 18717 8936 1 16 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.968 0.122 18717 8937 1 16 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.773 -0.754 18717 8938 1 16 . 1 1 66 66 ASN H H 66 7.480 7.480 7.689 -0.209 18717 8939 1 16 . 1 1 67 67 TRP N N 67 122.830 122.830 121.708 1.122 18717 8940 1 16 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.608 -0.109 18717 8941 1 16 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.025 -2.738 18717 8942 1 16 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.023 -0.959 18717 8943 1 16 . 1 1 67 67 TRP H H 67 8.730 8.730 8.552 0.178 18717 8944 1 16 . 1 1 68 68 ARG N N 68 120.279 120.279 118.208 2.071 18717 8945 1 16 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.440 0.403 18717 8946 1 16 . 1 1 68 68 ARG CA C 68 58.177 58.177 59.216 -1.039 18717 8947 1 16 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.829 -1.523 18717 8948 1 16 . 1 1 68 68 ARG H H 68 7.976 7.976 8.188 -0.212 18717 8949 1 16 . 1 1 69 69 GLU N N 69 121.656 121.656 121.815 -0.159 18717 8950 1 16 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.219 0.063 18717 8951 1 16 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.279 0.027 18717 8952 1 16 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.731 0.251 18717 8953 1 16 . 1 1 69 69 GLU H H 69 8.676 8.676 7.849 0.827 18717 8954 1 16 . 1 1 70 70 LEU N N 70 120.066 120.066 118.083 1.983 18717 8955 1 16 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.235 -0.100 18717 8956 1 16 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.266 -0.265 18717 8957 1 16 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.461 0.909 18717 8958 1 16 . 1 1 70 70 LEU H H 70 7.963 7.963 8.383 -0.420 18717 8959 1 16 . 1 1 71 71 GLU N N 71 118.326 118.326 119.925 -1.599 18717 8960 1 16 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.263 -0.698 18717 8961 1 16 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.353 -0.035 18717 8962 1 16 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.923 0.247 18717 8963 1 16 . 1 1 71 71 GLU H H 71 8.278 8.278 8.381 -0.103 18717 8964 1 16 . 1 1 72 72 MET N N 72 117.881 117.881 116.158 1.723 18717 8965 1 16 . 1 1 72 72 MET HA H 72 4.163 4.163 4.640 -0.477 18717 8966 1 16 . 1 1 72 72 MET CA C 72 57.906 57.906 57.819 0.087 18717 8967 1 16 . 1 1 72 72 MET CB C 72 32.006 32.006 33.131 -1.125 18717 8968 1 16 . 1 1 72 72 MET H H 72 7.966 7.966 7.804 0.162 18717 8969 1 16 . 1 1 73 73 LYS N N 73 119.844 119.844 120.699 -0.855 18717 8970 1 16 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.211 -0.154 18717 8971 1 16 . 1 1 73 73 LYS CA C 73 58.117 58.117 58.440 -0.323 18717 8972 1 16 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.327 0.066 18717 8973 1 16 . 1 1 73 73 LYS H H 73 7.959 7.959 8.047 -0.088 18717 8974 1 16 . 1 1 74 74 ALA N N 74 120.588 120.588 119.660 0.928 18717 8975 1 16 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.338 -0.321 18717 8976 1 16 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.141 0.969 18717 8977 1 16 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.201 -0.705 18717 8978 1 16 . 1 1 74 74 ALA H H 74 7.504 7.504 7.564 -0.060 18717 8979 1 16 . 1 1 75 75 ARG N N 75 111.895 111.895 114.513 -2.618 18717 8980 1 16 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.944 -0.139 18717 8981 1 16 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.333 0.040 18717 8982 1 16 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.526 -0.130 18717 8983 1 16 . 1 1 75 75 ARG H H 75 7.550 7.550 7.419 0.131 18717 8984 1 16 . 1 1 76 76 LYS N N 76 114.585 114.585 118.767 -4.182 18717 8985 1 16 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.415 -0.301 18717 8986 1 16 . 1 1 76 76 LYS CA C 76 55.502 55.502 54.958 0.544 18717 8987 1 16 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.322 -3.046 18717 8988 1 16 . 1 1 76 76 LYS H H 76 7.810 7.810 7.859 -0.049 18717 8989 1 16 . 1 1 77 77 ARG N N 77 119.199 119.199 125.286 -6.087 18717 8990 1 16 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.303 -0.255 18717 8991 1 16 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.607 0.083 18717 8992 1 16 . 1 1 77 77 ARG CB C 77 30.476 30.476 28.999 1.477 18717 8993 1 16 . 1 1 77 77 ARG H H 77 7.916 7.916 8.586 -0.670 18717 8994 1 16 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.118 0.045 18717 8995 1 16 . 1 1 80 80 THR N N 80 110.230 110.230 114.327 -4.097 18717 8996 1 16 . 1 1 80 80 THR HA H 80 4.526 4.526 4.328 0.198 18717 8997 1 16 . 1 1 80 80 THR CA C 80 58.081 58.081 61.432 -3.351 18717 8998 1 16 . 1 1 80 80 THR CB C 80 67.980 67.980 69.676 -1.696 18717 8999 1 16 . 1 1 80 80 THR H H 80 6.530 6.530 7.836 -1.306 18717 9000 1 16 . 1 1 81 81 THR N N 81 114.552 114.552 115.134 -0.582 18717 9001 1 16 . 1 1 81 81 THR HA H 81 4.260 4.260 3.852 0.408 18717 9002 1 16 . 1 1 81 81 THR CA C 81 61.767 61.767 62.278 -0.511 18717 9003 1 16 . 1 1 81 81 THR CB C 81 68.383 68.383 69.319 -0.936 18717 9004 1 16 . 1 1 81 81 THR H H 81 7.674 7.674 8.124 -0.450 18717 9005 1 16 . 1 1 82 82 LEU N N 82 127.155 127.155 125.349 1.806 18717 9006 1 16 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.102 -0.110 18717 9007 1 16 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.661 -0.947 18717 9008 1 16 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.854 -1.476 18717 9009 1 16 . 1 1 82 82 LEU H H 82 8.465 8.465 7.567 0.898 18717 9010 1 16 . 1 1 83 83 PHE N N 83 113.552 113.552 116.792 -3.240 18717 9011 1 16 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.610 0.312 18717 9012 1 16 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.795 -0.131 18717 9013 1 16 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.573 1.476 18717 9014 1 16 . 1 1 83 83 PHE H H 83 6.370 6.370 6.902 -0.532 18717 9015 1 16 . 1 1 84 84 PHE N N 84 116.628 116.628 115.344 1.284 18717 9016 1 16 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.531 -0.256 18717 9017 1 16 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.414 -1.063 18717 9018 1 16 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.434 1.389 18717 9019 1 16 . 1 1 84 84 PHE H H 84 9.579 9.579 7.853 1.726 18717 9020 1 16 . 1 1 85 85 ILE N N 85 113.827 113.827 114.755 -0.928 18717 9021 1 16 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.433 -0.291 18717 9022 1 16 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.373 -0.087 18717 9023 1 16 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.304 -0.017 18717 9024 1 16 . 1 1 85 85 ILE H H 85 9.410 9.410 8.731 0.679 18717 9025 1 16 . 1 1 86 86 GLU N N 86 124.724 124.724 125.117 -0.393 18717 9026 1 16 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.939 -0.314 18717 9027 1 16 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.230 0.486 18717 9028 1 16 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.582 -0.572 18717 9029 1 16 . 1 1 86 86 GLU H H 86 9.957 9.957 8.894 1.063 18717 9030 1 16 . 1 1 87 87 THR N N 87 106.336 106.336 110.557 -4.221 18717 9031 1 16 . 1 1 87 87 THR HA H 87 3.695 3.695 4.147 -0.452 18717 9032 1 16 . 1 1 87 87 THR CA C 87 63.680 63.680 64.445 -0.765 18717 9033 1 16 . 1 1 87 87 THR CB C 87 67.530 67.530 68.383 -0.853 18717 9034 1 16 . 1 1 87 87 THR H H 87 7.659 7.659 8.226 -0.567 18717 9035 1 16 . 1 1 88 88 ASP N N 88 119.814 119.814 119.486 0.328 18717 9036 1 16 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.534 -0.320 18717 9037 1 16 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.190 2.308 18717 9038 1 16 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.351 -1.270 18717 9039 1 16 . 1 1 88 88 ASP H H 88 7.605 7.605 8.161 -0.556 18717 9040 1 16 . 1 1 89 89 ILE N N 89 113.246 113.246 117.240 -3.994 18717 9041 1 16 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.210 -0.396 18717 9042 1 16 . 1 1 89 89 ILE CA C 89 58.507 58.507 60.024 -1.517 18717 9043 1 16 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.893 -2.093 18717 9044 1 16 . 1 1 89 89 ILE H H 89 6.538 6.538 7.291 -0.753 18717 9045 1 16 . 1 1 90 90 ARG N N 90 119.499 119.499 122.723 -3.224 18717 9046 1 16 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.408 -0.792 18717 9047 1 16 . 1 1 90 90 ARG CA C 90 62.065 62.065 60.036 2.029 18717 9048 1 16 . 1 1 90 90 ARG CB C 90 28.893 28.893 29.289 -0.396 18717 9049 1 16 . 1 1 90 90 ARG H H 90 7.721 7.721 7.884 -0.163 18717 9050 1 16 . 1 1 92 92 MET N N 92 113.492 113.492 112.755 0.737 18717 9051 1 16 . 1 1 92 92 MET HA H 92 4.175 4.175 4.543 -0.368 18717 9052 1 16 . 1 1 92 92 MET CA C 92 55.799 55.799 55.557 0.242 18717 9053 1 16 . 1 1 92 92 MET CB C 92 33.950 33.950 33.875 0.075 18717 9054 1 16 . 1 1 92 92 MET H H 92 7.549 7.549 7.376 0.173 18717 9055 1 16 . 1 1 93 93 LEU N N 93 117.943 117.943 121.199 -3.256 18717 9056 1 16 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.142 0.292 18717 9057 1 16 . 1 1 93 93 LEU CA C 93 52.855 52.855 55.823 -2.968 18717 9058 1 16 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.055 0.804 18717 9059 1 16 . 1 1 93 93 LEU H H 93 7.297 7.297 7.386 -0.089 18717 9060 1 16 . 1 1 94 94 GLN N N 94 121.536 121.536 116.700 4.836 18717 9061 1 16 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.427 -0.259 18717 9062 1 16 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.209 0.882 18717 9063 1 16 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.038 -1.875 18717 9064 1 16 . 1 1 94 94 GLN H H 94 8.675 8.675 8.322 0.353 18717 9065 1 16 . 1 1 95 95 ASP N N 95 123.380 123.380 121.972 1.408 18717 9066 1 16 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.536 -0.652 18717 9067 1 16 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.595 1.898 18717 9068 1 16 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.777 -0.597 18717 9069 1 16 . 1 1 95 95 ASP H H 95 8.804 8.804 8.849 -0.045 18717 9070 1 16 . 1 1 96 96 ARG N N 96 115.337 115.337 117.708 -2.371 18717 9071 1 16 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.330 -0.241 18717 9072 1 16 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.770 1.036 18717 9073 1 16 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.014 -0.583 18717 9074 1 16 . 1 1 96 96 ARG H H 96 8.652 8.652 8.064 0.588 18717 9075 1 16 . 1 1 97 97 LEU N N 97 118.485 118.485 120.969 -2.484 18717 9076 1 16 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.174 0.216 18717 9077 1 16 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.761 -1.351 18717 9078 1 16 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.004 2.090 18717 9079 1 16 . 1 1 97 97 LEU H H 97 7.776 7.776 7.589 0.187 18717 9080 1 16 . 1 1 98 98 ARG N N 98 119.863 119.863 115.748 4.115 18717 9081 1 16 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.085 -0.176 18717 9082 1 16 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.447 5.844 18717 9083 1 16 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.751 -0.926 18717 9084 1 16 . 1 1 98 98 ARG H H 98 7.553 7.553 7.937 -0.384 18717 9085 1 16 . 1 1 100 100 SER N N 100 111.387 111.387 116.381 -4.994 18717 9086 1 16 . 1 1 100 100 SER HA H 100 4.360 4.360 4.484 -0.124 18717 9087 1 16 . 1 1 100 100 SER CA C 100 59.923 59.923 59.397 0.526 18717 9088 1 16 . 1 1 100 100 SER CB C 100 63.304 63.304 63.658 -0.354 18717 9089 1 16 . 1 1 100 100 SER H H 100 7.616 7.616 8.550 -0.934 18717 9090 1 16 . 1 1 101 101 PHE N N 101 123.367 123.367 123.144 0.223 18717 9091 1 16 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.044 -0.338 18717 9092 1 16 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.423 1.292 18717 9093 1 16 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.733 -0.087 18717 9094 1 16 . 1 1 101 101 PHE H H 101 7.722 7.722 8.480 -0.758 18717 9095 1 16 . 1 1 102 102 ALA N N 102 117.466 117.466 118.405 -0.939 18717 9096 1 16 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.098 -0.222 18717 9097 1 16 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.644 -0.106 18717 9098 1 16 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.233 -0.103 18717 9099 1 16 . 1 1 102 102 ALA H H 102 8.525 8.525 8.780 -0.255 18717 9100 1 16 . 1 1 103 103 LYS N N 103 115.077 115.077 116.467 -1.390 18717 9101 1 16 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.422 -0.357 18717 9102 1 16 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.265 -0.529 18717 9103 1 16 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.112 -1.065 18717 9104 1 16 . 1 1 103 103 LYS H H 103 7.000 7.000 7.890 -0.890 18717 9105 1 16 . 1 1 104 104 ALA N N 104 119.948 119.948 121.986 -2.038 18717 9106 1 16 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.457 -0.649 18717 9107 1 16 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.326 0.673 18717 9108 1 16 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.755 -0.840 18717 9109 1 16 . 1 1 104 104 ALA H H 104 7.955 7.955 7.774 0.181 18717 9110 1 16 . 1 1 105 105 ILE N N 105 116.011 116.011 120.674 -4.663 18717 9111 1 16 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.993 -0.544 18717 9112 1 16 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.806 -0.607 18717 9113 1 16 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.381 -2.384 18717 9114 1 16 . 1 1 105 105 ILE H H 105 7.030 7.030 8.481 -1.451 18717 9115 1 16 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.428 -0.395 18717 9116 1 16 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.795 0.127 18717 9117 1 16 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.832 0.131 18717 9118 1 16 . 1 1 107 107 CYS N N 107 115.533 115.533 114.063 1.470 18717 9119 1 16 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.544 -0.670 18717 9120 1 16 . 1 1 107 107 CYS CA C 107 61.937 61.937 59.921 2.016 18717 9121 1 16 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.785 -0.881 18717 9122 1 16 . 1 1 107 107 CYS H H 107 6.558 6.558 7.937 -1.379 18717 9123 1 16 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.559 -0.706 18717 9124 1 16 . 1 1 109 109 ARG N N 109 120.576 120.576 118.342 2.234 18717 9125 1 16 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.418 -0.026 18717 9126 1 16 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.085 0.376 18717 9127 1 16 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.848 0.419 18717 9128 1 16 . 1 1 109 109 ARG H H 109 8.507 8.507 7.881 0.626 18717 9129 1 16 . 1 1 110 110 HIS N N 110 122.218 122.218 121.960 0.258 18717 9130 1 16 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.333 -0.247 18717 9131 1 16 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.311 1.447 18717 9132 1 16 . 1 1 110 110 HIS CB C 110 30.895 30.895 30.093 0.802 18717 9133 1 16 . 1 1 110 110 HIS H H 110 7.998 7.998 8.247 -0.249 18717 9134 1 16 . 1 1 111 111 ILE N N 111 105.612 105.612 109.727 -4.115 18717 9135 1 16 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.057 0.273 18717 9136 1 16 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.929 -0.336 18717 9137 1 16 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.036 -1.086 18717 9138 1 16 . 1 1 111 111 ILE H H 111 6.904 6.904 7.694 -0.790 18717 9139 1 16 . 1 1 112 112 ARG N N 112 114.782 114.782 116.813 -2.031 18717 9140 1 16 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.126 -0.225 18717 9141 1 16 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.947 0.368 18717 9142 1 16 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.275 -1.035 18717 9143 1 16 . 1 1 112 112 ARG H H 112 7.660 7.660 8.026 -0.366 18717 9144 1 16 . 1 1 113 113 ARG N N 113 114.996 114.996 117.903 -2.907 18717 9145 1 16 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.484 -0.234 18717 9146 1 16 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.607 -0.953 18717 9147 1 16 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.114 0.008 18717 9148 1 16 . 1 1 113 113 ARG H H 113 8.149 8.149 7.705 0.444 18717 9149 1 16 . 1 1 114 114 ILE N N 114 112.019 112.019 111.625 0.394 18717 9150 1 16 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.989 -0.115 18717 9151 1 16 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.523 -2.921 18717 9152 1 16 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.565 0.836 18717 9153 1 16 . 1 1 114 114 ILE H H 114 6.810 6.810 7.353 -0.543 18717 9154 1 16 . 1 1 115 115 ARG N N 115 122.894 122.894 119.032 3.862 18717 9155 1 16 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.722 -0.365 18717 9156 1 16 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.542 -0.430 18717 9157 1 16 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.979 -1.921 18717 9158 1 16 . 1 1 115 115 ARG H H 115 8.822 8.822 8.254 0.568 18717 9159 1 16 . 1 1 116 116 GLU N N 116 118.962 118.962 118.869 0.093 18717 9160 1 16 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.711 0.604 18717 9161 1 16 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.424 -1.322 18717 9162 1 16 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.721 3.213 18717 9163 1 16 . 1 1 116 116 GLU H H 116 8.329 8.329 8.289 0.040 18717 9164 1 16 . 1 1 117 117 GLU N N 117 124.627 124.627 124.900 -0.273 18717 9165 1 16 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.639 -0.108 18717 9166 1 16 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.004 0.108 18717 9167 1 16 . 1 1 117 117 GLU CB C 117 33.333 33.333 32.087 1.246 18717 9168 1 16 . 1 1 117 117 GLU H H 117 9.028 9.028 8.307 0.721 18717 9169 1 16 . 1 1 118 118 ARG N N 118 127.916 127.916 126.526 1.390 18717 9170 1 16 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.435 0.177 18717 9171 1 16 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.884 -0.091 18717 9172 1 16 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.352 0.789 18717 9173 1 16 . 1 1 118 118 ARG H H 118 8.952 8.952 8.552 0.400 18717 9174 1 16 . 1 1 119 119 CYS N N 119 126.785 126.785 126.479 0.306 18717 9175 1 16 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.572 0.086 18717 9176 1 16 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.425 -1.977 18717 9177 1 16 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.679 0.513 18717 9178 1 16 . 1 1 119 119 CYS H H 119 8.831 8.831 8.207 0.624 18717 9179 1 16 . 1 1 120 120 GLY N N 120 117.456 117.456 114.557 2.899 18717 9180 1 16 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.108 -0.596 18717 9181 1 16 . 1 1 120 120 GLY H H 120 8.873 8.873 8.451 0.422 18717 9182 1 16 . 1 1 122 122 LEU N N 122 121.777 121.777 118.971 2.806 18717 9183 1 16 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.532 -0.094 18717 9184 1 16 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.989 -0.380 18717 9185 1 16 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.304 -1.325 18717 9186 1 16 . 1 1 122 122 LEU H H 122 7.270 7.270 7.783 -0.513 18717 9187 1 16 . 1 1 123 123 THR N N 123 118.668 118.668 114.087 4.581 18717 9188 1 16 . 1 1 123 123 THR HA H 123 4.407 4.407 4.706 -0.299 18717 9189 1 16 . 1 1 123 123 THR CA C 123 61.769 61.769 61.669 0.101 18717 9190 1 16 . 1 1 123 123 THR CB C 123 69.263 69.263 70.175 -0.912 18717 9191 1 16 . 1 1 123 123 THR H H 123 7.649 7.649 8.021 -0.372 18717 9192 1 16 . 1 1 124 124 PHE N N 124 125.265 125.265 123.990 1.275 18717 9193 1 16 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.528 -1.257 18717 9194 1 16 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.299 1.288 18717 9195 1 16 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.516 0.512 18717 9196 1 16 . 1 1 124 124 PHE H H 124 8.553 8.553 8.214 0.339 18717 9197 1 16 . 1 1 125 125 TYR N N 125 118.544 118.544 116.523 2.021 18717 9198 1 16 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.671 0.615 18717 9199 1 16 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.503 -0.753 18717 9200 1 16 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.526 -0.408 18717 9201 1 16 . 1 1 125 125 TYR H H 125 8.616 8.616 8.083 0.533 18717 9202 1 16 . 1 1 126 126 TYR N N 126 115.848 115.848 118.214 -2.366 18717 9203 1 16 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.346 -0.086 18717 9204 1 16 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.020 0.908 18717 9205 1 16 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.601 -1.659 18717 9206 1 16 . 1 1 126 126 TYR H H 126 8.357 8.357 7.495 0.862 18717 9207 1 16 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.423 0.199 18717 9208 1 16 . 1 1 127 127 PRO CA C 127 62.929 62.929 63.131 -0.202 18717 9209 1 16 . 1 1 128 128 GLY N N 128 108.039 108.039 114.177 -6.138 18717 9210 1 16 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.571 -0.864 18717 9211 1 16 . 1 1 128 128 GLY H H 128 7.730 7.730 7.973 -0.243 18717 9212 1 16 . 1 1 129 129 SER N N 129 114.228 114.228 116.237 -2.009 18717 9213 1 16 . 1 1 129 129 SER HA H 129 4.438 4.438 4.597 -0.159 18717 9214 1 16 . 1 1 129 129 SER CA C 129 57.566 57.566 58.068 -0.502 18717 9215 1 16 . 1 1 129 129 SER CB C 129 63.772 63.772 64.091 -0.319 18717 9216 1 16 . 1 1 129 129 SER H H 129 8.102 8.102 8.529 -0.427 18717 9217 1 17 . 1 1 3 3 ASP N N 3 120.763 120.763 120.130 0.633 18717 9218 1 17 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.572 -0.085 18717 9219 1 17 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.814 0.317 18717 9220 1 17 . 1 1 3 3 ASP CB C 3 40.887 40.887 39.834 1.053 18717 9221 1 17 . 1 1 3 3 ASP H H 3 8.327 8.327 8.130 0.197 18717 9222 1 17 . 1 1 4 4 ILE N N 4 121.147 121.147 119.703 1.444 18717 9223 1 17 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.557 -0.512 18717 9224 1 17 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.535 2.188 18717 9225 1 17 . 1 1 4 4 ILE CB C 4 38.460 38.460 40.288 -1.828 18717 9226 1 17 . 1 1 4 4 ILE H H 4 7.971 7.971 7.661 0.310 18717 9227 1 17 . 1 1 5 5 ARG N N 5 123.685 123.685 123.233 0.452 18717 9228 1 17 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.322 0.149 18717 9229 1 17 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.746 -2.327 18717 9230 1 17 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.855 -0.713 18717 9231 1 17 . 1 1 5 5 ARG H H 5 8.067 8.067 8.418 -0.351 18717 9232 1 17 . 1 1 6 6 ILE N N 6 124.881 124.881 114.588 10.293 18717 9233 1 17 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.337 -0.554 18717 9234 1 17 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.498 1.943 18717 9235 1 17 . 1 1 6 6 ILE CB C 6 38.184 38.184 38.983 -0.799 18717 9236 1 17 . 1 1 6 6 ILE H H 6 9.083 9.083 8.648 0.435 18717 9237 1 17 . 1 1 7 7 VAL N N 7 120.527 120.527 114.689 5.838 18717 9238 1 17 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.572 -0.481 18717 9239 1 17 . 1 1 7 7 VAL CA C 7 58.665 58.665 57.998 0.667 18717 9240 1 17 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.545 -1.853 18717 9241 1 17 . 1 1 7 7 VAL H H 7 9.067 9.067 7.504 1.563 18717 9242 1 17 . 1 1 9 9 GLN N N 9 120.479 120.479 118.688 1.791 18717 9243 1 17 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.303 -0.443 18717 9244 1 17 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.276 0.623 18717 9245 1 17 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.525 0.297 18717 9246 1 17 . 1 1 9 9 GLN H H 9 8.305 8.305 8.272 0.033 18717 9247 1 17 . 1 1 10 10 ILE N N 10 125.746 125.746 117.747 7.999 18717 9248 1 17 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.539 -0.489 18717 9249 1 17 . 1 1 10 10 ILE CA C 10 60.287 60.287 60.007 0.280 18717 9250 1 17 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.771 -2.621 18717 9251 1 17 . 1 1 10 10 ILE H H 10 10.040 10.040 8.238 1.802 18717 9252 1 17 . 1 1 11 11 THR HA H 11 4.459 4.459 4.625 -0.166 18717 9253 1 17 . 1 1 11 11 THR CA C 11 60.124 60.124 59.988 0.136 18717 9254 1 17 . 1 1 11 11 THR CB C 11 71.036 71.036 69.944 1.092 18717 9255 1 17 . 1 1 12 12 ASP N N 12 121.634 121.634 120.558 1.076 18717 9256 1 17 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.467 -0.234 18717 9257 1 17 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.550 0.241 18717 9258 1 17 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.644 0.201 18717 9259 1 17 . 1 1 12 12 ASP H H 12 8.892 8.892 8.768 0.124 18717 9260 1 17 . 1 1 13 13 GLU N N 13 117.207 117.207 117.324 -0.117 18717 9261 1 17 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.136 -0.287 18717 9262 1 17 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.618 1.065 18717 9263 1 17 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.529 -0.374 18717 9264 1 17 . 1 1 13 13 GLU H H 13 8.421 8.421 8.617 -0.196 18717 9265 1 17 . 1 1 14 14 GLU N N 14 118.579 118.579 117.428 1.151 18717 9266 1 17 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.385 -0.408 18717 9267 1 17 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.327 1.167 18717 9268 1 17 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.473 0.942 18717 9269 1 17 . 1 1 14 14 GLU H H 14 7.647 7.647 7.906 -0.259 18717 9270 1 17 . 1 1 15 15 PHE N N 15 122.867 122.867 122.405 0.462 18717 9271 1 17 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.262 -0.417 18717 9272 1 17 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.361 -0.355 18717 9273 1 17 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.296 0.561 18717 9274 1 17 . 1 1 15 15 PHE H H 15 8.823 8.823 8.970 -0.147 18717 9275 1 17 . 1 1 16 16 LYS N N 16 115.192 115.192 117.051 -1.859 18717 9276 1 17 . 1 1 16 16 LYS HA H 16 3.963 3.963 3.976 -0.013 18717 9277 1 17 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.384 -0.298 18717 9278 1 17 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.301 1.307 18717 9279 1 17 . 1 1 16 16 LYS H H 16 7.742 7.742 7.852 -0.110 18717 9280 1 17 . 1 1 17 17 THR N N 17 108.709 108.709 110.287 -1.578 18717 9281 1 17 . 1 1 17 17 THR HA H 17 4.269 4.269 4.266 0.003 18717 9282 1 17 . 1 1 17 17 THR CA C 17 61.767 61.767 63.113 -1.346 18717 9283 1 17 . 1 1 17 17 THR CB C 17 69.956 69.956 69.301 0.655 18717 9284 1 17 . 1 1 17 17 THR H H 17 7.518 7.518 7.735 -0.217 18717 9285 1 17 . 1 1 18 18 ILE N N 18 124.707 124.707 123.994 0.713 18717 9286 1 17 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.227 -0.615 18717 9287 1 17 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.993 1.408 18717 9288 1 17 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.775 -0.492 18717 9289 1 17 . 1 1 18 18 ILE H H 18 7.063 7.063 7.526 -0.463 18717 9290 1 17 . 1 1 20 20 LYS N N 20 124.646 124.646 119.648 4.998 18717 9291 1 17 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.904 -0.195 18717 9292 1 17 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.427 -0.247 18717 9293 1 17 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.694 -0.255 18717 9294 1 17 . 1 1 20 20 LYS H H 20 8.639 8.639 8.378 0.261 18717 9295 1 17 . 1 1 21 21 TYR N N 21 115.093 115.093 118.329 -3.236 18717 9296 1 17 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.286 0.028 18717 9297 1 17 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.541 -0.627 18717 9298 1 17 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.095 -0.918 18717 9299 1 17 . 1 1 21 21 TYR H H 21 7.897 7.897 7.711 0.186 18717 9300 1 17 . 1 1 22 22 GLN N N 22 119.745 119.745 115.905 3.840 18717 9301 1 17 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.412 -0.486 18717 9302 1 17 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.255 0.351 18717 9303 1 17 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.417 -0.952 18717 9304 1 17 . 1 1 22 22 GLN H H 22 6.759 6.759 7.957 -1.198 18717 9305 1 17 . 1 1 23 23 LEU N N 23 118.619 118.619 118.274 0.345 18717 9306 1 17 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.077 -0.225 18717 9307 1 17 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.830 -0.261 18717 9308 1 17 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.368 1.222 18717 9309 1 17 . 1 1 23 23 LEU H H 23 7.115 7.115 7.762 -0.647 18717 9310 1 17 . 1 1 24 24 GLY N N 24 103.606 103.606 106.777 -3.171 18717 9311 1 17 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.673 0.250 18717 9312 1 17 . 1 1 24 24 GLY H H 24 7.541 7.541 8.051 -0.510 18717 9313 1 17 . 1 1 25 25 ARG N N 25 126.033 126.033 122.304 3.729 18717 9314 1 17 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.675 -0.395 18717 9315 1 17 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.248 0.125 18717 9316 1 17 . 1 1 25 25 ARG CB C 25 29.946 29.946 32.100 -2.154 18717 9317 1 17 . 1 1 25 25 ARG H H 25 8.850 8.850 8.131 0.719 18717 9318 1 17 . 1 1 26 26 LEU N N 26 121.287 121.287 119.213 2.074 18717 9319 1 17 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.408 -0.150 18717 9320 1 17 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.903 1.693 18717 9321 1 17 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.313 -0.568 18717 9322 1 17 . 1 1 26 26 LEU H H 26 8.017 8.017 7.432 0.585 18717 9323 1 17 . 1 1 27 27 THR N N 27 110.943 110.943 106.780 4.163 18717 9324 1 17 . 1 1 27 27 THR HA H 27 4.626 4.626 4.600 0.026 18717 9325 1 17 . 1 1 27 27 THR CA C 27 58.272 58.272 60.241 -1.969 18717 9326 1 17 . 1 1 27 27 THR H H 27 7.129 7.129 7.878 -0.749 18717 9327 1 17 . 1 1 28 28 LEU N N 28 124.601 124.601 122.252 2.349 18717 9328 1 17 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.621 -0.394 18717 9329 1 17 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.103 -1.269 18717 9330 1 17 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.794 -1.882 18717 9331 1 17 . 1 1 28 28 LEU H H 28 8.404 8.404 8.245 0.159 18717 9332 1 17 . 1 1 29 29 GLU N N 29 117.021 117.021 118.450 -1.429 18717 9333 1 17 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.943 -0.057 18717 9334 1 17 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.608 0.359 18717 9335 1 17 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.118 -0.305 18717 9336 1 17 . 1 1 29 29 GLU H H 29 8.361 8.361 8.664 -0.303 18717 9337 1 17 . 1 1 30 30 MET N N 30 119.159 119.159 117.906 1.253 18717 9338 1 17 . 1 1 30 30 MET HA H 30 3.999 3.999 4.407 -0.408 18717 9339 1 17 . 1 1 30 30 MET CA C 30 58.946 58.946 58.827 0.119 18717 9340 1 17 . 1 1 30 30 MET CB C 30 31.941 31.941 32.821 -0.880 18717 9341 1 17 . 1 1 30 30 MET H H 30 7.541 7.541 7.487 0.054 18717 9342 1 17 . 1 1 31 31 MET N N 31 117.316 117.316 118.299 -0.983 18717 9343 1 17 . 1 1 31 31 MET HA H 31 3.833 3.833 4.046 -0.213 18717 9344 1 17 . 1 1 31 31 MET CA C 31 58.966 58.966 59.256 -0.290 18717 9345 1 17 . 1 1 31 31 MET CB C 31 32.253 32.253 32.372 -0.119 18717 9346 1 17 . 1 1 31 31 MET H H 31 8.310 8.310 8.211 0.099 18717 9347 1 17 . 1 1 32 32 ASN N N 32 116.639 116.639 118.959 -2.320 18717 9348 1 17 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.342 0.616 18717 9349 1 17 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.294 -3.018 18717 9350 1 17 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.736 -1.821 18717 9351 1 17 . 1 1 32 32 ASN H H 32 8.728 8.728 8.602 0.126 18717 9352 1 17 . 1 1 33 33 GLU N N 33 125.338 125.338 118.945 6.393 18717 9353 1 17 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.082 0.104 18717 9354 1 17 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.714 0.797 18717 9355 1 17 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.366 -0.138 18717 9356 1 17 . 1 1 33 33 GLU H H 33 7.918 7.918 7.980 -0.062 18717 9357 1 17 . 1 1 34 34 ILE N N 34 119.962 119.962 121.554 -1.592 18717 9358 1 17 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.534 -0.063 18717 9359 1 17 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.160 0.634 18717 9360 1 17 . 1 1 34 34 ILE CB C 34 37.922 37.922 38.103 -0.181 18717 9361 1 17 . 1 1 34 34 ILE H H 34 7.576 7.576 7.320 0.256 18717 9362 1 17 . 1 1 35 35 VAL N N 35 119.021 119.021 118.426 0.595 18717 9363 1 17 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.734 -0.159 18717 9364 1 17 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.845 0.300 18717 9365 1 17 . 1 1 35 35 VAL CB C 35 31.499 31.499 30.504 0.995 18717 9366 1 17 . 1 1 35 35 VAL H H 35 8.657 8.657 8.509 0.148 18717 9367 1 17 . 1 1 36 36 SER N N 36 114.977 114.977 116.550 -1.573 18717 9368 1 17 . 1 1 36 36 SER HA H 36 4.171 4.171 4.513 -0.342 18717 9369 1 17 . 1 1 36 36 SER CA C 36 61.604 61.604 61.346 0.258 18717 9370 1 17 . 1 1 36 36 SER CB C 36 62.415 62.415 63.317 -0.902 18717 9371 1 17 . 1 1 36 36 SER H H 36 8.175 8.175 7.876 0.299 18717 9372 1 17 . 1 1 37 37 LYS N N 37 119.000 119.000 122.363 -3.363 18717 9373 1 17 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.078 0.099 18717 9374 1 17 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.667 -1.512 18717 9375 1 17 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.085 -1.705 18717 9376 1 17 . 1 1 37 37 LYS H H 37 7.283 7.283 7.650 -0.367 18717 9377 1 17 . 1 1 38 38 MET N N 38 119.061 119.061 118.374 0.687 18717 9378 1 17 . 1 1 38 38 MET HA H 38 3.430 3.430 3.747 -0.317 18717 9379 1 17 . 1 1 38 38 MET CA C 38 59.676 59.676 59.722 -0.046 18717 9380 1 17 . 1 1 38 38 MET CB C 38 31.961 31.961 32.608 -0.647 18717 9381 1 17 . 1 1 38 38 MET H H 38 7.740 7.740 8.250 -0.510 18717 9382 1 17 . 1 1 39 39 ASP N N 39 118.445 118.445 118.468 -0.023 18717 9383 1 17 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.386 -0.296 18717 9384 1 17 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.426 1.347 18717 9385 1 17 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.374 2.768 18717 9386 1 17 . 1 1 39 39 ASP H H 39 8.603 8.603 8.045 0.558 18717 9387 1 17 . 1 1 40 40 ASP N N 40 117.427 117.427 120.865 -3.438 18717 9388 1 17 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.385 -0.196 18717 9389 1 17 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.575 -0.248 18717 9390 1 17 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.903 0.138 18717 9391 1 17 . 1 1 40 40 ASP H H 40 8.397 8.397 7.654 0.743 18717 9392 1 17 . 1 1 41 41 PHE N N 41 119.507 119.507 120.316 -0.809 18717 9393 1 17 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.390 -0.419 18717 9394 1 17 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.745 1.417 18717 9395 1 17 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.191 0.307 18717 9396 1 17 . 1 1 41 41 PHE H H 41 8.248 8.248 7.933 0.315 18717 9397 1 17 . 1 1 42 42 LEU N N 42 118.072 118.072 120.218 -2.146 18717 9398 1 17 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.917 -0.192 18717 9399 1 17 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.697 -0.529 18717 9400 1 17 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.293 0.356 18717 9401 1 17 . 1 1 42 42 LEU H H 42 8.203 8.203 8.293 -0.090 18717 9402 1 17 . 1 1 43 43 MET N N 43 121.878 121.878 118.837 3.041 18717 9403 1 17 . 1 1 43 43 MET HA H 43 4.063 4.063 4.152 -0.089 18717 9404 1 17 . 1 1 43 43 MET CA C 43 57.664 57.664 59.071 -1.407 18717 9405 1 17 . 1 1 43 43 MET CB C 43 30.833 30.833 32.665 -1.832 18717 9406 1 17 . 1 1 43 43 MET H H 43 9.073 9.073 8.445 0.628 18717 9407 1 17 . 1 1 44 44 LYS N N 44 122.276 122.276 118.921 3.355 18717 9408 1 17 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.037 -0.172 18717 9409 1 17 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.271 0.213 18717 9410 1 17 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.054 -0.529 18717 9411 1 17 . 1 1 44 44 LYS H H 44 7.678 7.678 7.772 -0.094 18717 9412 1 17 . 1 1 46 46 SER N N 46 113.504 113.504 113.471 0.033 18717 9413 1 17 . 1 1 46 46 SER HA H 46 3.744 3.744 4.110 -0.366 18717 9414 1 17 . 1 1 46 46 SER CA C 46 61.358 61.358 61.178 0.180 18717 9415 1 17 . 1 1 46 46 SER CB C 46 62.674 62.674 63.073 -0.399 18717 9416 1 17 . 1 1 46 46 SER H H 46 8.467 8.467 8.023 0.444 18717 9417 1 17 . 1 1 47 47 LYS N N 47 120.235 120.235 121.653 -1.418 18717 9418 1 17 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.185 -0.230 18717 9419 1 17 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.319 0.495 18717 9420 1 17 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.915 0.098 18717 9421 1 17 . 1 1 47 47 LYS H H 47 7.659 7.659 7.518 0.141 18717 9422 1 17 . 1 1 48 48 ILE N N 48 120.699 120.699 118.737 1.962 18717 9423 1 17 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.911 -0.446 18717 9424 1 17 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.804 2.288 18717 9425 1 17 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.446 -0.499 18717 9426 1 17 . 1 1 48 48 ILE H H 48 7.803 7.803 7.394 0.409 18717 9427 1 17 . 1 1 49 49 LEU N N 49 118.686 118.686 116.865 1.821 18717 9428 1 17 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.115 -0.050 18717 9429 1 17 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.058 1.056 18717 9430 1 17 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.594 -0.001 18717 9431 1 17 . 1 1 49 49 LEU H H 49 8.671 8.671 7.666 1.005 18717 9432 1 17 . 1 1 50 50 GLY N N 50 103.264 103.264 105.294 -2.030 18717 9433 1 17 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.690 -0.144 18717 9434 1 17 . 1 1 50 50 GLY H H 50 7.422 7.422 7.596 -0.174 18717 9435 1 17 . 1 1 51 51 LYS N N 51 121.616 121.616 121.260 0.356 18717 9436 1 17 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.182 0.088 18717 9437 1 17 . 1 1 51 51 LYS CA C 51 57.328 57.328 57.192 0.136 18717 9438 1 17 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.987 1.189 18717 9439 1 17 . 1 1 51 51 LYS H H 51 7.227 7.227 7.702 -0.475 18717 9440 1 17 . 1 1 52 52 THR N N 52 112.472 112.472 114.437 -1.965 18717 9441 1 17 . 1 1 52 52 THR HA H 52 4.363 4.363 4.448 -0.085 18717 9442 1 17 . 1 1 52 52 THR CA C 52 60.280 60.280 60.809 -0.529 18717 9443 1 17 . 1 1 52 52 THR CB C 52 69.989 69.989 70.223 -0.234 18717 9444 1 17 . 1 1 52 52 THR H H 52 8.298 8.298 7.907 0.391 18717 9445 1 17 . 1 1 53 53 ASN N N 53 118.660 118.660 119.435 -0.775 18717 9446 1 17 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.449 -0.186 18717 9447 1 17 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.442 1.124 18717 9448 1 17 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.624 -0.434 18717 9449 1 17 . 1 1 53 53 ASN H H 53 8.739 8.739 8.723 0.016 18717 9450 1 17 . 1 1 54 54 LYS N N 54 116.241 116.241 116.939 -0.698 18717 9451 1 17 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.169 -0.085 18717 9452 1 17 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.749 -0.198 18717 9453 1 17 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.431 -0.053 18717 9454 1 17 . 1 1 54 54 LYS H H 54 7.949 7.949 7.973 -0.024 18717 9455 1 17 . 1 1 55 55 GLN N N 55 116.389 116.389 117.262 -0.873 18717 9456 1 17 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.298 -0.115 18717 9457 1 17 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.124 -0.503 18717 9458 1 17 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.503 1.020 18717 9459 1 17 . 1 1 55 55 GLN H H 55 7.492 7.492 7.680 -0.188 18717 9460 1 17 . 1 1 56 56 LEU N N 56 120.014 120.014 122.120 -2.106 18717 9461 1 17 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.367 0.080 18717 9462 1 17 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.678 -0.353 18717 9463 1 17 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.934 0.090 18717 9464 1 17 . 1 1 56 56 LEU H H 56 7.137 7.137 8.099 -0.962 18717 9465 1 17 . 1 1 57 57 THR N N 57 115.673 115.673 115.832 -0.159 18717 9466 1 17 . 1 1 57 57 THR HA H 57 4.491 4.491 4.732 -0.241 18717 9467 1 17 . 1 1 57 57 THR CA C 57 59.638 59.638 59.897 -0.259 18717 9468 1 17 . 1 1 57 57 THR CB C 57 71.233 71.233 71.373 -0.140 18717 9469 1 17 . 1 1 57 57 THR H H 57 8.986 8.986 9.113 -0.127 18717 9470 1 17 . 1 1 58 58 ARG N N 58 121.180 121.180 119.894 1.286 18717 9471 1 17 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.052 -0.175 18717 9472 1 17 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.496 0.321 18717 9473 1 17 . 1 1 58 58 ARG CB C 58 29.331 29.331 30.261 -0.930 18717 9474 1 17 . 1 1 58 58 ARG H H 58 8.783 8.783 8.859 -0.076 18717 9475 1 17 . 1 1 59 59 SER N N 59 113.863 113.863 114.224 -0.361 18717 9476 1 17 . 1 1 59 59 SER HA H 59 4.116 4.116 4.172 -0.056 18717 9477 1 17 . 1 1 59 59 SER CA C 59 60.988 60.988 61.560 -0.572 18717 9478 1 17 . 1 1 59 59 SER CB C 59 62.156 62.156 62.916 -0.760 18717 9479 1 17 . 1 1 59 59 SER H H 59 8.198 8.198 8.001 0.197 18717 9480 1 17 . 1 1 60 60 ASP N N 60 122.780 122.780 120.636 2.144 18717 9481 1 17 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.499 -0.447 18717 9482 1 17 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.944 -0.406 18717 9483 1 17 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.420 1.558 18717 9484 1 17 . 1 1 60 60 ASP H H 60 7.623 7.623 7.807 -0.184 18717 9485 1 17 . 1 1 61 61 ARG N N 61 117.219 117.219 120.492 -3.273 18717 9486 1 17 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.147 -0.428 18717 9487 1 17 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.103 0.434 18717 9488 1 17 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.341 -0.737 18717 9489 1 17 . 1 1 61 61 ARG H H 61 7.966 7.966 7.345 0.621 18717 9490 1 17 . 1 1 62 62 GLU N N 62 118.341 118.341 119.747 -1.406 18717 9491 1 17 . 1 1 62 62 GLU HA H 62 3.942 3.942 3.998 -0.056 18717 9492 1 17 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.521 -0.485 18717 9493 1 17 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.823 -0.340 18717 9494 1 17 . 1 1 62 62 GLU H H 62 7.556 7.556 8.309 -0.753 18717 9495 1 17 . 1 1 63 63 VAL N N 63 116.650 116.650 117.008 -0.358 18717 9496 1 17 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.187 0.394 18717 9497 1 17 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.579 -0.962 18717 9498 1 17 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.704 -0.423 18717 9499 1 17 . 1 1 63 63 VAL H H 63 7.398 7.398 7.550 -0.152 18717 9500 1 17 . 1 1 64 64 LEU N N 64 121.502 121.502 121.188 0.314 18717 9501 1 17 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.151 -0.443 18717 9502 1 17 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.424 -0.557 18717 9503 1 17 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.125 0.811 18717 9504 1 17 . 1 1 64 64 LEU H H 64 7.889 7.889 7.639 0.250 18717 9505 1 17 . 1 1 65 65 ASP N N 65 119.200 119.200 118.408 0.792 18717 9506 1 17 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.405 -0.013 18717 9507 1 17 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.432 -0.170 18717 9508 1 17 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.709 -0.985 18717 9509 1 17 . 1 1 65 65 ASP H H 65 7.846 7.846 7.923 -0.077 18717 9510 1 17 . 1 1 66 66 ASN N N 66 120.252 120.252 119.209 1.043 18717 9511 1 17 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.534 -0.031 18717 9512 1 17 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.089 0.001 18717 9513 1 17 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.778 -0.759 18717 9514 1 17 . 1 1 66 66 ASN H H 66 7.480 7.480 7.545 -0.065 18717 9515 1 17 . 1 1 67 67 TRP N N 67 122.830 122.830 120.715 2.115 18717 9516 1 17 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.719 -0.220 18717 9517 1 17 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.039 -1.752 18717 9518 1 17 . 1 1 67 67 TRP CB C 67 28.064 28.064 28.738 -0.675 18717 9519 1 17 . 1 1 67 67 TRP H H 67 8.730 8.730 8.612 0.118 18717 9520 1 17 . 1 1 68 68 ARG N N 68 120.279 120.279 119.829 0.450 18717 9521 1 17 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.590 0.253 18717 9522 1 17 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.817 -0.640 18717 9523 1 17 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.896 -1.590 18717 9524 1 17 . 1 1 68 68 ARG H H 68 7.976 7.976 8.075 -0.099 18717 9525 1 17 . 1 1 69 69 GLU N N 69 121.656 121.656 120.721 0.935 18717 9526 1 17 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.209 0.073 18717 9527 1 17 . 1 1 69 69 GLU CA C 69 59.305 59.305 59.380 -0.075 18717 9528 1 17 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.512 0.469 18717 9529 1 17 . 1 1 69 69 GLU H H 69 8.676 8.676 7.853 0.823 18717 9530 1 17 . 1 1 70 70 LEU N N 70 120.066 120.066 117.347 2.719 18717 9531 1 17 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.284 -0.149 18717 9532 1 17 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.967 0.034 18717 9533 1 17 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.446 0.924 18717 9534 1 17 . 1 1 70 70 LEU H H 70 7.963 7.963 7.997 -0.034 18717 9535 1 17 . 1 1 71 71 GLU N N 71 118.326 118.326 120.522 -2.196 18717 9536 1 17 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.425 -0.860 18717 9537 1 17 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.254 0.064 18717 9538 1 17 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.890 0.280 18717 9539 1 17 . 1 1 71 71 GLU H H 71 8.278 8.278 8.318 -0.040 18717 9540 1 17 . 1 1 72 72 MET N N 72 117.881 117.881 114.734 3.147 18717 9541 1 17 . 1 1 72 72 MET HA H 72 4.163 4.163 4.733 -0.570 18717 9542 1 17 . 1 1 72 72 MET CA C 72 57.906 57.906 57.300 0.606 18717 9543 1 17 . 1 1 72 72 MET CB C 72 32.006 32.006 33.316 -1.310 18717 9544 1 17 . 1 1 72 72 MET H H 72 7.966 7.966 7.674 0.292 18717 9545 1 17 . 1 1 73 73 LYS N N 73 119.844 119.844 119.089 0.755 18717 9546 1 17 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.330 -0.273 18717 9547 1 17 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.425 0.692 18717 9548 1 17 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.631 -0.238 18717 9549 1 17 . 1 1 73 73 LYS H H 73 7.959 7.959 7.750 0.209 18717 9550 1 17 . 1 1 74 74 ALA N N 74 120.588 120.588 120.536 0.052 18717 9551 1 17 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.311 -0.294 18717 9552 1 17 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.391 0.719 18717 9553 1 17 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.500 -1.004 18717 9554 1 17 . 1 1 74 74 ALA H H 74 7.504 7.504 7.458 0.046 18717 9555 1 17 . 1 1 75 75 ARG N N 75 111.895 111.895 116.255 -4.360 18717 9556 1 17 . 1 1 75 75 ARG HA H 75 3.805 3.805 4.015 -0.210 18717 9557 1 17 . 1 1 75 75 ARG CA C 75 57.373 57.373 56.963 0.410 18717 9558 1 17 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.546 -0.150 18717 9559 1 17 . 1 1 75 75 ARG H H 75 7.550 7.550 7.911 -0.361 18717 9560 1 17 . 1 1 76 76 LYS N N 76 114.585 114.585 118.821 -4.236 18717 9561 1 17 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.384 -0.270 18717 9562 1 17 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.301 0.201 18717 9563 1 17 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.456 -3.180 18717 9564 1 17 . 1 1 76 76 LYS H H 76 7.810 7.810 8.092 -0.282 18717 9565 1 17 . 1 1 77 77 ARG N N 77 119.199 119.199 124.598 -5.399 18717 9566 1 17 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.400 -0.352 18717 9567 1 17 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.540 0.150 18717 9568 1 17 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.837 0.639 18717 9569 1 17 . 1 1 77 77 ARG H H 77 7.916 7.916 8.592 -0.676 18717 9570 1 17 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.620 -0.457 18717 9571 1 17 . 1 1 80 80 THR N N 80 110.230 110.230 114.528 -4.298 18717 9572 1 17 . 1 1 80 80 THR HA H 80 4.526 4.526 4.440 0.086 18717 9573 1 17 . 1 1 80 80 THR CA C 80 58.081 58.081 61.817 -3.736 18717 9574 1 17 . 1 1 80 80 THR CB C 80 67.980 67.980 71.395 -3.415 18717 9575 1 17 . 1 1 80 80 THR H H 80 6.530 6.530 7.963 -1.433 18717 9576 1 17 . 1 1 81 81 THR N N 81 114.552 114.552 116.363 -1.811 18717 9577 1 17 . 1 1 81 81 THR HA H 81 4.260 4.260 4.112 0.148 18717 9578 1 17 . 1 1 81 81 THR CA C 81 61.767 61.767 61.382 0.385 18717 9579 1 17 . 1 1 81 81 THR CB C 81 68.383 68.383 69.778 -1.395 18717 9580 1 17 . 1 1 81 81 THR H H 81 7.674 7.674 8.141 -0.467 18717 9581 1 17 . 1 1 82 82 LEU N N 82 127.155 127.155 121.029 6.126 18717 9582 1 17 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.424 -0.432 18717 9583 1 17 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.908 -1.194 18717 9584 1 17 . 1 1 82 82 LEU CB C 82 39.378 39.378 42.043 -2.665 18717 9585 1 17 . 1 1 82 82 LEU H H 82 8.465 8.465 7.679 0.786 18717 9586 1 17 . 1 1 83 83 PHE N N 83 113.552 113.552 115.199 -1.647 18717 9587 1 17 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.805 0.117 18717 9588 1 17 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.670 -0.006 18717 9589 1 17 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.666 0.383 18717 9590 1 17 . 1 1 83 83 PHE H H 83 6.370 6.370 6.785 -0.415 18717 9591 1 17 . 1 1 84 84 PHE N N 84 116.628 116.628 115.468 1.160 18717 9592 1 17 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.315 -0.040 18717 9593 1 17 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.239 -0.888 18717 9594 1 17 . 1 1 84 84 PHE CB C 84 42.823 42.823 42.166 0.657 18717 9595 1 17 . 1 1 84 84 PHE H H 84 9.579 9.579 7.948 1.631 18717 9596 1 17 . 1 1 85 85 ILE N N 85 113.827 113.827 115.131 -1.304 18717 9597 1 17 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.281 -0.139 18717 9598 1 17 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.391 -0.105 18717 9599 1 17 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.553 -0.266 18717 9600 1 17 . 1 1 85 85 ILE H H 85 9.410 9.410 8.423 0.987 18717 9601 1 17 . 1 1 86 86 GLU N N 86 124.724 124.724 125.117 -0.393 18717 9602 1 17 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.017 -0.392 18717 9603 1 17 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.337 0.380 18717 9604 1 17 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.515 -0.505 18717 9605 1 17 . 1 1 86 86 GLU H H 86 9.957 9.957 8.763 1.194 18717 9606 1 17 . 1 1 87 87 THR N N 87 106.336 106.336 110.589 -4.253 18717 9607 1 17 . 1 1 87 87 THR HA H 87 3.695 3.695 4.192 -0.497 18717 9608 1 17 . 1 1 87 87 THR CA C 87 63.680 63.680 64.785 -1.105 18717 9609 1 17 . 1 1 87 87 THR CB C 87 67.530 67.530 68.017 -0.487 18717 9610 1 17 . 1 1 87 87 THR H H 87 7.659 7.659 8.371 -0.712 18717 9611 1 17 . 1 1 88 88 ASP N N 88 119.814 119.814 120.977 -1.163 18717 9612 1 17 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.636 -0.422 18717 9613 1 17 . 1 1 88 88 ASP CA C 88 56.498 56.498 56.234 0.264 18717 9614 1 17 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.448 -1.367 18717 9615 1 17 . 1 1 88 88 ASP H H 88 7.605 7.605 8.292 -0.687 18717 9616 1 17 . 1 1 89 89 ILE N N 89 113.246 113.246 118.518 -5.272 18717 9617 1 17 . 1 1 89 89 ILE HA H 89 3.814 3.814 3.984 -0.170 18717 9618 1 17 . 1 1 89 89 ILE CA C 89 58.507 58.507 60.851 -2.344 18717 9619 1 17 . 1 1 89 89 ILE CB C 89 36.800 36.800 37.421 -0.621 18717 9620 1 17 . 1 1 89 89 ILE H H 89 6.538 6.538 7.429 -0.891 18717 9621 1 17 . 1 1 90 90 ARG N N 90 119.499 119.499 123.288 -3.789 18717 9622 1 17 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.182 -0.566 18717 9623 1 17 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.121 0.944 18717 9624 1 17 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.483 0.410 18717 9625 1 17 . 1 1 90 90 ARG H H 90 7.721 7.721 8.411 -0.690 18717 9626 1 17 . 1 1 92 92 MET N N 92 113.492 113.492 116.554 -3.062 18717 9627 1 17 . 1 1 92 92 MET HA H 92 4.175 4.175 4.413 -0.238 18717 9628 1 17 . 1 1 92 92 MET CA C 92 55.799 55.799 56.305 -0.506 18717 9629 1 17 . 1 1 92 92 MET CB C 92 33.950 33.950 34.239 -0.289 18717 9630 1 17 . 1 1 92 92 MET H H 92 7.549 7.549 7.720 -0.171 18717 9631 1 17 . 1 1 93 93 LEU N N 93 117.943 117.943 119.241 -1.298 18717 9632 1 17 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.083 0.351 18717 9633 1 17 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.136 -3.281 18717 9634 1 17 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.221 0.638 18717 9635 1 17 . 1 1 93 93 LEU H H 93 7.297 7.297 7.958 -0.661 18717 9636 1 17 . 1 1 94 94 GLN N N 94 121.536 121.536 115.142 6.394 18717 9637 1 17 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.428 -0.260 18717 9638 1 17 . 1 1 94 94 GLN CA C 94 56.091 56.091 54.670 1.421 18717 9639 1 17 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.947 -2.784 18717 9640 1 17 . 1 1 94 94 GLN H H 94 8.675 8.675 7.789 0.886 18717 9641 1 17 . 1 1 95 95 ASP N N 95 123.380 123.380 123.473 -0.093 18717 9642 1 17 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.339 -0.455 18717 9643 1 17 . 1 1 95 95 ASP CA C 95 58.493 58.493 57.947 0.546 18717 9644 1 17 . 1 1 95 95 ASP CB C 95 40.180 40.180 41.005 -0.825 18717 9645 1 17 . 1 1 95 95 ASP H H 95 8.804 8.804 8.818 -0.014 18717 9646 1 17 . 1 1 96 96 ARG N N 96 115.337 115.337 118.044 -2.707 18717 9647 1 17 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.194 -0.105 18717 9648 1 17 . 1 1 96 96 ARG CA C 96 57.807 57.807 57.812 -0.005 18717 9649 1 17 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.474 -0.042 18717 9650 1 17 . 1 1 96 96 ARG H H 96 8.652 8.652 8.511 0.141 18717 9651 1 17 . 1 1 97 97 LEU N N 97 118.485 118.485 120.413 -1.928 18717 9652 1 17 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.423 -0.033 18717 9653 1 17 . 1 1 97 97 LEU CA C 97 54.411 54.411 54.561 -0.150 18717 9654 1 17 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.863 1.231 18717 9655 1 17 . 1 1 97 97 LEU H H 97 7.776 7.776 7.720 0.056 18717 9656 1 17 . 1 1 98 98 ARG N N 98 119.863 119.863 120.790 -0.927 18717 9657 1 17 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.062 -0.153 18717 9658 1 17 . 1 1 98 98 ARG CA C 98 62.291 62.291 61.698 0.593 18717 9659 1 17 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.981 -0.156 18717 9660 1 17 . 1 1 98 98 ARG H H 98 7.553 7.553 7.874 -0.321 18717 9661 1 17 . 1 1 100 100 SER N N 100 111.387 111.387 113.048 -1.661 18717 9662 1 17 . 1 1 100 100 SER HA H 100 4.360 4.360 4.478 -0.118 18717 9663 1 17 . 1 1 100 100 SER CA C 100 59.923 59.923 59.381 0.542 18717 9664 1 17 . 1 1 100 100 SER CB C 100 63.304 63.304 63.796 -0.492 18717 9665 1 17 . 1 1 100 100 SER H H 100 7.616 7.616 7.805 -0.189 18717 9666 1 17 . 1 1 101 101 PHE N N 101 123.367 123.367 123.151 0.216 18717 9667 1 17 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.156 -0.450 18717 9668 1 17 . 1 1 101 101 PHE CA C 101 62.716 62.716 60.778 1.938 18717 9669 1 17 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.814 -0.169 18717 9670 1 17 . 1 1 101 101 PHE H H 101 7.722 7.722 7.847 -0.125 18717 9671 1 17 . 1 1 102 102 ALA N N 102 117.466 117.466 118.732 -1.266 18717 9672 1 17 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.085 -0.209 18717 9673 1 17 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.845 -0.307 18717 9674 1 17 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.506 -0.377 18717 9675 1 17 . 1 1 102 102 ALA H H 102 8.525 8.525 8.523 0.002 18717 9676 1 17 . 1 1 103 103 LYS N N 103 115.077 115.077 115.704 -0.627 18717 9677 1 17 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.282 -0.217 18717 9678 1 17 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.505 -0.769 18717 9679 1 17 . 1 1 103 103 LYS CB C 103 32.047 32.047 32.614 -0.567 18717 9680 1 17 . 1 1 103 103 LYS H H 103 7.000 7.000 8.291 -1.291 18717 9681 1 17 . 1 1 104 104 ALA N N 104 119.948 119.948 122.888 -2.940 18717 9682 1 17 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.332 -0.523 18717 9683 1 17 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.915 0.084 18717 9684 1 17 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.606 -0.691 18717 9685 1 17 . 1 1 104 104 ALA H H 104 7.955 7.955 7.765 0.190 18717 9686 1 17 . 1 1 105 105 ILE N N 105 116.011 116.011 120.286 -4.275 18717 9687 1 17 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.031 -0.582 18717 9688 1 17 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.530 -0.331 18717 9689 1 17 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.191 -2.194 18717 9690 1 17 . 1 1 105 105 ILE H H 105 7.030 7.030 8.543 -1.513 18717 9691 1 17 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.431 -0.398 18717 9692 1 17 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.836 0.086 18717 9693 1 17 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.978 -0.015 18717 9694 1 17 . 1 1 107 107 CYS N N 107 115.533 115.533 116.111 -0.578 18717 9695 1 17 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.391 -0.517 18717 9696 1 17 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.431 0.506 18717 9697 1 17 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.922 -0.018 18717 9698 1 17 . 1 1 107 107 CYS H H 107 6.558 6.558 7.735 -1.177 18717 9699 1 17 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.433 -0.580 18717 9700 1 17 . 1 1 109 109 ARG N N 109 120.576 120.576 118.226 2.350 18717 9701 1 17 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.295 0.097 18717 9702 1 17 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.403 0.058 18717 9703 1 17 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.661 0.606 18717 9704 1 17 . 1 1 109 109 ARG H H 109 8.507 8.507 7.942 0.565 18717 9705 1 17 . 1 1 110 110 HIS N N 110 122.218 122.218 120.849 1.369 18717 9706 1 17 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.325 -0.239 18717 9707 1 17 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.223 1.535 18717 9708 1 17 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.761 1.134 18717 9709 1 17 . 1 1 110 110 HIS H H 110 7.998 7.998 8.205 -0.207 18717 9710 1 17 . 1 1 111 111 ILE N N 111 105.612 105.612 111.759 -6.147 18717 9711 1 17 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.223 0.107 18717 9712 1 17 . 1 1 111 111 ILE CA C 111 60.593 60.593 60.886 -0.293 18717 9713 1 17 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.668 -1.718 18717 9714 1 17 . 1 1 111 111 ILE H H 111 6.904 6.904 7.316 -0.412 18717 9715 1 17 . 1 1 112 112 ARG N N 112 114.782 114.782 117.602 -2.820 18717 9716 1 17 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.030 -0.129 18717 9717 1 17 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.030 0.285 18717 9718 1 17 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.912 -0.672 18717 9719 1 17 . 1 1 112 112 ARG H H 112 7.660 7.660 8.081 -0.421 18717 9720 1 17 . 1 1 113 113 ARG N N 113 114.996 114.996 117.917 -2.921 18717 9721 1 17 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.513 -0.263 18717 9722 1 17 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.338 -0.684 18717 9723 1 17 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.048 0.074 18717 9724 1 17 . 1 1 113 113 ARG H H 113 8.149 8.149 7.766 0.383 18717 9725 1 17 . 1 1 114 114 ILE N N 114 112.019 112.019 110.904 1.115 18717 9726 1 17 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.983 -0.109 18717 9727 1 17 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.389 -2.788 18717 9728 1 17 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.539 0.861 18717 9729 1 17 . 1 1 114 114 ILE H H 114 6.810 6.810 7.330 -0.520 18717 9730 1 17 . 1 1 115 115 ARG N N 115 122.894 122.894 118.831 4.063 18717 9731 1 17 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.711 -0.354 18717 9732 1 17 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.308 -0.196 18717 9733 1 17 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.946 -1.888 18717 9734 1 17 . 1 1 115 115 ARG H H 115 8.822 8.822 8.280 0.542 18717 9735 1 17 . 1 1 116 116 GLU N N 116 118.962 118.962 118.966 -0.004 18717 9736 1 17 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.650 0.665 18717 9737 1 17 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.672 -1.570 18717 9738 1 17 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.812 3.122 18717 9739 1 17 . 1 1 116 116 GLU H H 116 8.329 8.329 8.280 0.049 18717 9740 1 17 . 1 1 117 117 GLU N N 117 124.627 124.627 124.768 -0.141 18717 9741 1 17 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.525 0.006 18717 9742 1 17 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.908 0.204 18717 9743 1 17 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.570 1.763 18717 9744 1 17 . 1 1 117 117 GLU H H 117 9.028 9.028 7.944 1.084 18717 9745 1 17 . 1 1 118 118 ARG N N 118 127.916 127.916 127.066 0.850 18717 9746 1 17 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.238 0.374 18717 9747 1 17 . 1 1 118 118 ARG CA C 118 55.793 55.793 56.138 -0.345 18717 9748 1 17 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.566 0.575 18717 9749 1 17 . 1 1 118 118 ARG H H 118 8.952 8.952 8.641 0.311 18717 9750 1 17 . 1 1 119 119 CYS N N 119 126.785 126.785 125.300 1.485 18717 9751 1 17 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.659 -0.001 18717 9752 1 17 . 1 1 119 119 CYS CA C 119 56.448 56.448 56.780 -0.332 18717 9753 1 17 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.278 1.914 18717 9754 1 17 . 1 1 119 119 CYS H H 119 8.831 8.831 8.158 0.673 18717 9755 1 17 . 1 1 120 120 GLY N N 120 117.456 117.456 114.657 2.799 18717 9756 1 17 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.399 -0.887 18717 9757 1 17 . 1 1 120 120 GLY H H 120 8.873 8.873 8.148 0.725 18717 9758 1 17 . 1 1 122 122 LEU N N 122 121.777 121.777 117.945 3.832 18717 9759 1 17 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.558 -0.120 18717 9760 1 17 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.536 0.073 18717 9761 1 17 . 1 1 122 122 LEU CB C 122 44.979 44.979 45.024 -0.045 18717 9762 1 17 . 1 1 122 122 LEU H H 122 7.270 7.270 7.294 -0.024 18717 9763 1 17 . 1 1 123 123 THR N N 123 118.668 118.668 114.228 4.440 18717 9764 1 17 . 1 1 123 123 THR HA H 123 4.407 4.407 4.673 -0.266 18717 9765 1 17 . 1 1 123 123 THR CA C 123 61.769 61.769 61.852 -0.083 18717 9766 1 17 . 1 1 123 123 THR CB C 123 69.263 69.263 70.575 -1.312 18717 9767 1 17 . 1 1 123 123 THR H H 123 7.649 7.649 8.005 -0.356 18717 9768 1 17 . 1 1 124 124 PHE N N 124 125.265 125.265 123.986 1.279 18717 9769 1 17 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.380 -1.109 18717 9770 1 17 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.215 1.372 18717 9771 1 17 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.371 0.657 18717 9772 1 17 . 1 1 124 124 PHE H H 124 8.553 8.553 8.005 0.548 18717 9773 1 17 . 1 1 125 125 TYR N N 125 118.544 118.544 115.775 2.769 18717 9774 1 17 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.627 0.659 18717 9775 1 17 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.496 -0.746 18717 9776 1 17 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.489 -0.371 18717 9777 1 17 . 1 1 125 125 TYR H H 125 8.616 8.616 8.000 0.616 18717 9778 1 17 . 1 1 126 126 TYR N N 126 115.848 115.848 118.354 -2.506 18717 9779 1 17 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.425 -0.165 18717 9780 1 17 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.028 0.900 18717 9781 1 17 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.640 -1.698 18717 9782 1 17 . 1 1 126 126 TYR H H 126 8.357 8.357 7.474 0.883 18717 9783 1 17 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.511 0.111 18717 9784 1 17 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.844 0.085 18717 9785 1 17 . 1 1 128 128 GLY N N 128 108.039 108.039 115.777 -7.738 18717 9786 1 17 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.665 -0.958 18717 9787 1 17 . 1 1 128 128 GLY H H 128 7.730 7.730 8.123 -0.393 18717 9788 1 17 . 1 1 129 129 SER N N 129 114.228 114.228 117.850 -3.622 18717 9789 1 17 . 1 1 129 129 SER HA H 129 4.438 4.438 4.263 0.175 18717 9790 1 17 . 1 1 129 129 SER CA C 129 57.566 57.566 60.377 -2.811 18717 9791 1 17 . 1 1 129 129 SER CB C 129 63.772 63.772 63.463 0.309 18717 9792 1 17 . 1 1 129 129 SER H H 129 8.102 8.102 8.832 -0.730 18717 9793 1 18 . 1 1 3 3 ASP N N 3 120.763 120.763 121.801 -1.038 18717 9794 1 18 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.966 -0.479 18717 9795 1 18 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.653 0.478 18717 9796 1 18 . 1 1 3 3 ASP CB C 3 40.887 40.887 41.480 -0.593 18717 9797 1 18 . 1 1 3 3 ASP H H 3 8.327 8.327 8.466 -0.139 18717 9798 1 18 . 1 1 4 4 ILE N N 4 121.147 121.147 118.600 2.547 18717 9799 1 18 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.458 -0.413 18717 9800 1 18 . 1 1 4 4 ILE CA C 4 60.723 60.723 58.995 1.728 18717 9801 1 18 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.869 -1.409 18717 9802 1 18 . 1 1 4 4 ILE H H 4 7.971 7.971 8.151 -0.180 18717 9803 1 18 . 1 1 5 5 ARG N N 5 123.685 123.685 121.883 1.802 18717 9804 1 18 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.131 0.340 18717 9805 1 18 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.988 -2.569 18717 9806 1 18 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.550 -0.408 18717 9807 1 18 . 1 1 5 5 ARG H H 5 8.067 8.067 8.449 -0.382 18717 9808 1 18 . 1 1 6 6 ILE N N 6 124.881 124.881 115.747 9.134 18717 9809 1 18 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.443 -0.660 18717 9810 1 18 . 1 1 6 6 ILE CA C 6 63.441 63.441 60.942 2.499 18717 9811 1 18 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.773 -1.589 18717 9812 1 18 . 1 1 6 6 ILE H H 6 9.083 9.083 8.544 0.539 18717 9813 1 18 . 1 1 7 7 VAL N N 7 120.527 120.527 115.654 4.873 18717 9814 1 18 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.629 -0.538 18717 9815 1 18 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.846 -0.181 18717 9816 1 18 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.503 -1.811 18717 9817 1 18 . 1 1 7 7 VAL H H 7 9.067 9.067 7.737 1.330 18717 9818 1 18 . 1 1 9 9 GLN N N 9 120.479 120.479 118.025 2.454 18717 9819 1 18 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.237 -0.377 18717 9820 1 18 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.192 -0.293 18717 9821 1 18 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.080 0.742 18717 9822 1 18 . 1 1 9 9 GLN H H 9 8.305 8.305 8.396 -0.091 18717 9823 1 18 . 1 1 10 10 ILE N N 10 125.746 125.746 117.700 8.046 18717 9824 1 18 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.589 -0.539 18717 9825 1 18 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.738 0.549 18717 9826 1 18 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.138 -1.988 18717 9827 1 18 . 1 1 10 10 ILE H H 10 10.040 10.040 8.254 1.786 18717 9828 1 18 . 1 1 11 11 THR HA H 11 4.459 4.459 4.431 0.028 18717 9829 1 18 . 1 1 11 11 THR CA C 11 60.124 60.124 60.245 -0.121 18717 9830 1 18 . 1 1 11 11 THR CB C 11 71.036 71.036 69.584 1.452 18717 9831 1 18 . 1 1 12 12 ASP N N 12 121.634 121.634 120.502 1.132 18717 9832 1 18 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.399 -0.166 18717 9833 1 18 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.675 0.116 18717 9834 1 18 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.397 0.448 18717 9835 1 18 . 1 1 12 12 ASP H H 12 8.892 8.892 8.717 0.175 18717 9836 1 18 . 1 1 13 13 GLU N N 13 117.207 117.207 117.363 -0.156 18717 9837 1 18 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.093 -0.244 18717 9838 1 18 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.599 1.085 18717 9839 1 18 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.419 -0.264 18717 9840 1 18 . 1 1 13 13 GLU H H 13 8.421 8.421 8.666 -0.245 18717 9841 1 18 . 1 1 14 14 GLU N N 14 118.579 118.579 115.982 2.597 18717 9842 1 18 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.441 -0.464 18717 9843 1 18 . 1 1 14 14 GLU CA C 14 58.493 58.493 56.645 1.848 18717 9844 1 18 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.473 0.942 18717 9845 1 18 . 1 1 14 14 GLU H H 14 7.647 7.647 7.921 -0.274 18717 9846 1 18 . 1 1 15 15 PHE N N 15 122.867 122.867 123.073 -0.206 18717 9847 1 18 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.227 -0.382 18717 9848 1 18 . 1 1 15 15 PHE CA C 15 61.006 61.006 61.258 -0.252 18717 9849 1 18 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.492 0.365 18717 9850 1 18 . 1 1 15 15 PHE H H 15 8.823 8.823 8.833 -0.010 18717 9851 1 18 . 1 1 16 16 LYS N N 16 115.192 115.192 115.420 -0.228 18717 9852 1 18 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.107 -0.144 18717 9853 1 18 . 1 1 16 16 LYS CA C 16 58.086 58.086 56.962 1.123 18717 9854 1 18 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.353 1.255 18717 9855 1 18 . 1 1 16 16 LYS H H 16 7.742 7.742 7.872 -0.130 18717 9856 1 18 . 1 1 17 17 THR N N 17 108.709 108.709 114.726 -6.017 18717 9857 1 18 . 1 1 17 17 THR HA H 17 4.269 4.269 4.251 0.018 18717 9858 1 18 . 1 1 17 17 THR CA C 17 61.767 61.767 62.919 -1.152 18717 9859 1 18 . 1 1 17 17 THR CB C 17 69.956 69.956 69.251 0.705 18717 9860 1 18 . 1 1 17 17 THR H H 17 7.518 7.518 7.804 -0.286 18717 9861 1 18 . 1 1 18 18 ILE N N 18 124.707 124.707 118.197 6.510 18717 9862 1 18 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.188 -0.576 18717 9863 1 18 . 1 1 18 18 ILE CA C 18 59.401 59.401 56.435 2.966 18717 9864 1 18 . 1 1 18 18 ILE CB C 18 38.283 38.283 37.581 0.702 18717 9865 1 18 . 1 1 18 18 ILE H H 18 7.063 7.063 7.029 0.034 18717 9866 1 18 . 1 1 20 20 LYS N N 20 124.646 124.646 121.636 3.010 18717 9867 1 18 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.865 -0.156 18717 9868 1 18 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.473 0.707 18717 9869 1 18 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.853 -0.414 18717 9870 1 18 . 1 1 20 20 LYS H H 20 8.639 8.639 8.473 0.166 18717 9871 1 18 . 1 1 21 21 TYR N N 21 115.093 115.093 115.454 -0.361 18717 9872 1 18 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.311 0.003 18717 9873 1 18 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.632 -0.718 18717 9874 1 18 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.563 -1.386 18717 9875 1 18 . 1 1 21 21 TYR H H 21 7.897 7.897 7.705 0.192 18717 9876 1 18 . 1 1 22 22 GLN N N 22 119.745 119.745 116.327 3.418 18717 9877 1 18 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.362 -0.436 18717 9878 1 18 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.097 0.509 18717 9879 1 18 . 1 1 22 22 GLN CB C 22 29.465 29.465 29.954 -0.489 18717 9880 1 18 . 1 1 22 22 GLN H H 22 6.759 6.759 7.609 -0.850 18717 9881 1 18 . 1 1 23 23 LEU N N 23 118.619 118.619 118.987 -0.368 18717 9882 1 18 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.063 -0.211 18717 9883 1 18 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.501 0.068 18717 9884 1 18 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.487 1.103 18717 9885 1 18 . 1 1 23 23 LEU H H 23 7.115 7.115 7.263 -0.148 18717 9886 1 18 . 1 1 24 24 GLY N N 24 103.606 103.606 105.492 -1.886 18717 9887 1 18 . 1 1 24 24 GLY CA C 24 46.923 46.923 45.132 1.791 18717 9888 1 18 . 1 1 24 24 GLY H H 24 7.541 7.541 7.806 -0.265 18717 9889 1 18 . 1 1 25 25 ARG N N 25 126.033 126.033 116.104 9.929 18717 9890 1 18 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.878 0.402 18717 9891 1 18 . 1 1 25 25 ARG CA C 25 55.373 55.373 57.176 -1.803 18717 9892 1 18 . 1 1 25 25 ARG CB C 25 29.946 29.946 28.334 1.612 18717 9893 1 18 . 1 1 25 25 ARG H H 25 8.850 8.850 8.543 0.307 18717 9894 1 18 . 1 1 26 26 LEU N N 26 121.287 121.287 119.536 1.751 18717 9895 1 18 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.277 -0.019 18717 9896 1 18 . 1 1 26 26 LEU CA C 26 56.596 56.596 55.052 1.544 18717 9897 1 18 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.435 -0.691 18717 9898 1 18 . 1 1 26 26 LEU H H 26 8.017 8.017 7.765 0.252 18717 9899 1 18 . 1 1 27 27 THR N N 27 110.943 110.943 111.604 -0.661 18717 9900 1 18 . 1 1 27 27 THR HA H 27 4.626 4.626 4.575 0.051 18717 9901 1 18 . 1 1 27 27 THR CA C 27 58.272 58.272 60.190 -1.918 18717 9902 1 18 . 1 1 27 27 THR H H 27 7.129 7.129 7.842 -0.713 18717 9903 1 18 . 1 1 28 28 LEU N N 28 124.601 124.601 123.032 1.569 18717 9904 1 18 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.586 -0.359 18717 9905 1 18 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.205 -1.371 18717 9906 1 18 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.685 -1.774 18717 9907 1 18 . 1 1 28 28 LEU H H 28 8.404 8.404 7.890 0.514 18717 9908 1 18 . 1 1 29 29 GLU N N 29 117.021 117.021 118.550 -1.529 18717 9909 1 18 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.959 -0.073 18717 9910 1 18 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.515 0.452 18717 9911 1 18 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.184 -0.371 18717 9912 1 18 . 1 1 29 29 GLU H H 29 8.361 8.361 8.674 -0.312 18717 9913 1 18 . 1 1 30 30 MET N N 30 119.159 119.159 118.235 0.924 18717 9914 1 18 . 1 1 30 30 MET HA H 30 3.999 3.999 4.356 -0.357 18717 9915 1 18 . 1 1 30 30 MET CA C 30 58.946 58.946 58.942 0.004 18717 9916 1 18 . 1 1 30 30 MET CB C 30 31.941 31.941 32.970 -1.029 18717 9917 1 18 . 1 1 30 30 MET H H 30 7.541 7.541 7.704 -0.163 18717 9918 1 18 . 1 1 31 31 MET N N 31 117.316 117.316 117.191 0.125 18717 9919 1 18 . 1 1 31 31 MET HA H 31 3.833 3.833 4.039 -0.206 18717 9920 1 18 . 1 1 31 31 MET CA C 31 58.966 58.966 59.491 -0.525 18717 9921 1 18 . 1 1 31 31 MET CB C 31 32.253 32.253 32.414 -0.161 18717 9922 1 18 . 1 1 31 31 MET H H 31 8.310 8.310 8.124 0.186 18717 9923 1 18 . 1 1 32 32 ASN N N 32 116.639 116.639 119.202 -2.563 18717 9924 1 18 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.415 0.543 18717 9925 1 18 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.069 -2.793 18717 9926 1 18 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.816 -1.901 18717 9927 1 18 . 1 1 32 32 ASN H H 32 8.728 8.728 8.599 0.129 18717 9928 1 18 . 1 1 33 33 GLU N N 33 125.338 125.338 119.406 5.932 18717 9929 1 18 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.191 -0.005 18717 9930 1 18 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.650 0.861 18717 9931 1 18 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.412 -0.183 18717 9932 1 18 . 1 1 33 33 GLU H H 33 7.918 7.918 7.912 0.006 18717 9933 1 18 . 1 1 34 34 ILE N N 34 119.962 119.962 121.733 -1.771 18717 9934 1 18 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.688 -0.217 18717 9935 1 18 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.212 0.582 18717 9936 1 18 . 1 1 34 34 ILE CB C 34 37.922 37.922 38.060 -0.138 18717 9937 1 18 . 1 1 34 34 ILE H H 34 7.576 7.576 7.538 0.038 18717 9938 1 18 . 1 1 35 35 VAL N N 35 119.021 119.021 118.570 0.451 18717 9939 1 18 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.740 -0.165 18717 9940 1 18 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.932 0.213 18717 9941 1 18 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.436 0.063 18717 9942 1 18 . 1 1 35 35 VAL H H 35 8.657 8.657 8.319 0.338 18717 9943 1 18 . 1 1 36 36 SER N N 36 114.977 114.977 116.416 -1.439 18717 9944 1 18 . 1 1 36 36 SER HA H 36 4.171 4.171 4.245 -0.074 18717 9945 1 18 . 1 1 36 36 SER CA C 36 61.604 61.604 61.476 0.128 18717 9946 1 18 . 1 1 36 36 SER CB C 36 62.415 62.415 63.056 -0.641 18717 9947 1 18 . 1 1 36 36 SER H H 36 8.175 8.175 7.890 0.285 18717 9948 1 18 . 1 1 37 37 LYS N N 37 119.000 119.000 122.294 -3.294 18717 9949 1 18 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.044 0.133 18717 9950 1 18 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.686 -1.531 18717 9951 1 18 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.096 -1.716 18717 9952 1 18 . 1 1 37 37 LYS H H 37 7.283 7.283 7.857 -0.574 18717 9953 1 18 . 1 1 38 38 MET N N 38 119.061 119.061 117.983 1.078 18717 9954 1 18 . 1 1 38 38 MET HA H 38 3.430 3.430 3.788 -0.358 18717 9955 1 18 . 1 1 38 38 MET CA C 38 59.676 59.676 60.105 -0.429 18717 9956 1 18 . 1 1 38 38 MET CB C 38 31.961 31.961 32.401 -0.440 18717 9957 1 18 . 1 1 38 38 MET H H 38 7.740 7.740 7.903 -0.163 18717 9958 1 18 . 1 1 39 39 ASP N N 39 118.445 118.445 118.505 -0.060 18717 9959 1 18 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.465 -0.375 18717 9960 1 18 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.488 1.285 18717 9961 1 18 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.640 2.502 18717 9962 1 18 . 1 1 39 39 ASP H H 39 8.603 8.603 8.002 0.601 18717 9963 1 18 . 1 1 40 40 ASP N N 40 117.427 117.427 120.201 -2.774 18717 9964 1 18 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.429 -0.240 18717 9965 1 18 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.114 0.213 18717 9966 1 18 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.874 0.167 18717 9967 1 18 . 1 1 40 40 ASP H H 40 8.397 8.397 7.603 0.794 18717 9968 1 18 . 1 1 41 41 PHE N N 41 119.507 119.507 120.847 -1.340 18717 9969 1 18 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.242 -0.271 18717 9970 1 18 . 1 1 41 41 PHE CA C 41 62.162 62.162 59.722 2.440 18717 9971 1 18 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.934 0.564 18717 9972 1 18 . 1 1 41 41 PHE H H 41 8.248 8.248 7.891 0.357 18717 9973 1 18 . 1 1 42 42 LEU N N 42 118.072 118.072 120.018 -1.946 18717 9974 1 18 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.087 -0.362 18717 9975 1 18 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.851 -0.683 18717 9976 1 18 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.272 0.377 18717 9977 1 18 . 1 1 42 42 LEU H H 42 8.203 8.203 8.262 -0.059 18717 9978 1 18 . 1 1 43 43 MET N N 43 121.878 121.878 118.867 3.011 18717 9979 1 18 . 1 1 43 43 MET HA H 43 4.063 4.063 4.213 -0.150 18717 9980 1 18 . 1 1 43 43 MET CA C 43 57.664 57.664 57.531 0.133 18717 9981 1 18 . 1 1 43 43 MET CB C 43 30.833 30.833 32.124 -1.291 18717 9982 1 18 . 1 1 43 43 MET H H 43 9.073 9.073 8.422 0.651 18717 9983 1 18 . 1 1 44 44 LYS N N 44 122.276 122.276 118.712 3.564 18717 9984 1 18 . 1 1 44 44 LYS HA H 44 3.865 3.865 3.964 -0.099 18717 9985 1 18 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.526 -0.042 18717 9986 1 18 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.212 -0.687 18717 9987 1 18 . 1 1 44 44 LYS H H 44 7.678 7.678 7.850 -0.172 18717 9988 1 18 . 1 1 46 46 SER N N 46 113.504 113.504 113.348 0.156 18717 9989 1 18 . 1 1 46 46 SER HA H 46 3.744 3.744 4.109 -0.365 18717 9990 1 18 . 1 1 46 46 SER CA C 46 61.358 61.358 61.133 0.225 18717 9991 1 18 . 1 1 46 46 SER CB C 46 62.674 62.674 62.997 -0.323 18717 9992 1 18 . 1 1 46 46 SER H H 46 8.467 8.467 7.864 0.603 18717 9993 1 18 . 1 1 47 47 LYS N N 47 120.235 120.235 120.633 -0.398 18717 9994 1 18 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.346 -0.391 18717 9995 1 18 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.522 0.292 18717 9996 1 18 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.569 0.444 18717 9997 1 18 . 1 1 47 47 LYS H H 47 7.659 7.659 7.483 0.176 18717 9998 1 18 . 1 1 48 48 ILE N N 48 120.699 120.699 119.026 1.673 18717 9999 1 18 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.856 -0.391 18717 10000 1 18 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.331 2.761 18717 10001 1 18 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.499 -0.552 18717 10002 1 18 . 1 1 48 48 ILE H H 48 7.803 7.803 7.264 0.539 18717 10003 1 18 . 1 1 49 49 LEU N N 49 118.686 118.686 118.241 0.445 18717 10004 1 18 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.034 0.031 18717 10005 1 18 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.621 0.493 18717 10006 1 18 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.536 0.057 18717 10007 1 18 . 1 1 49 49 LEU H H 49 8.671 8.671 7.536 1.135 18717 10008 1 18 . 1 1 50 50 GLY N N 50 103.264 103.264 105.576 -2.312 18717 10009 1 18 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.957 -0.411 18717 10010 1 18 . 1 1 50 50 GLY H H 50 7.422 7.422 7.813 -0.391 18717 10011 1 18 . 1 1 51 51 LYS N N 51 121.616 121.616 120.978 0.638 18717 10012 1 18 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.188 0.083 18717 10013 1 18 . 1 1 51 51 LYS CA C 51 57.328 57.328 57.228 0.100 18717 10014 1 18 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.456 1.720 18717 10015 1 18 . 1 1 51 51 LYS H H 51 7.227 7.227 7.592 -0.365 18717 10016 1 18 . 1 1 52 52 THR N N 52 112.472 112.472 110.418 2.054 18717 10017 1 18 . 1 1 52 52 THR HA H 52 4.363 4.363 4.549 -0.186 18717 10018 1 18 . 1 1 52 52 THR CA C 52 60.280 60.280 59.346 0.934 18717 10019 1 18 . 1 1 52 52 THR CB C 52 69.989 69.989 71.892 -1.903 18717 10020 1 18 . 1 1 52 52 THR H H 52 8.298 8.298 7.744 0.554 18717 10021 1 18 . 1 1 53 53 ASN N N 53 118.660 118.660 118.025 0.635 18717 10022 1 18 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.584 -0.321 18717 10023 1 18 . 1 1 53 53 ASN CA C 53 56.566 56.566 54.837 1.729 18717 10024 1 18 . 1 1 53 53 ASN CB C 53 38.190 38.190 37.935 0.255 18717 10025 1 18 . 1 1 53 53 ASN H H 53 8.739 8.739 8.794 -0.055 18717 10026 1 18 . 1 1 54 54 LYS N N 54 116.241 116.241 118.587 -2.346 18717 10027 1 18 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.220 -0.136 18717 10028 1 18 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.283 -0.732 18717 10029 1 18 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.605 -0.227 18717 10030 1 18 . 1 1 54 54 LYS H H 54 7.949 7.949 7.842 0.107 18717 10031 1 18 . 1 1 55 55 GLN N N 55 116.389 116.389 116.993 -0.604 18717 10032 1 18 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.319 -0.136 18717 10033 1 18 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.640 -0.019 18717 10034 1 18 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.907 0.616 18717 10035 1 18 . 1 1 55 55 GLN H H 55 7.492 7.492 7.889 -0.397 18717 10036 1 18 . 1 1 56 56 LEU N N 56 120.014 120.014 122.251 -2.237 18717 10037 1 18 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.145 0.302 18717 10038 1 18 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.642 -0.317 18717 10039 1 18 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.447 0.577 18717 10040 1 18 . 1 1 56 56 LEU H H 56 7.137 7.137 7.989 -0.852 18717 10041 1 18 . 1 1 57 57 THR N N 57 115.673 115.673 116.183 -0.510 18717 10042 1 18 . 1 1 57 57 THR HA H 57 4.491 4.491 4.629 -0.138 18717 10043 1 18 . 1 1 57 57 THR CA C 57 59.638 59.638 59.967 -0.328 18717 10044 1 18 . 1 1 57 57 THR CB C 57 71.233 71.233 71.029 0.204 18717 10045 1 18 . 1 1 57 57 THR H H 57 8.986 8.986 7.897 1.089 18717 10046 1 18 . 1 1 58 58 ARG N N 58 121.180 121.180 120.684 0.496 18717 10047 1 18 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.018 -0.141 18717 10048 1 18 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.725 0.092 18717 10049 1 18 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.784 -0.453 18717 10050 1 18 . 1 1 58 58 ARG H H 58 8.783 8.783 8.806 -0.024 18717 10051 1 18 . 1 1 59 59 SER N N 59 113.863 113.863 114.207 -0.344 18717 10052 1 18 . 1 1 59 59 SER HA H 59 4.116 4.116 4.343 -0.227 18717 10053 1 18 . 1 1 59 59 SER CA C 59 60.988 60.988 61.552 -0.564 18717 10054 1 18 . 1 1 59 59 SER CB C 59 62.156 62.156 62.712 -0.556 18717 10055 1 18 . 1 1 59 59 SER H H 59 8.198 8.198 8.341 -0.143 18717 10056 1 18 . 1 1 60 60 ASP N N 60 122.780 122.780 120.367 2.413 18717 10057 1 18 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.504 -0.452 18717 10058 1 18 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.842 -0.304 18717 10059 1 18 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.839 1.139 18717 10060 1 18 . 1 1 60 60 ASP H H 60 7.623 7.623 8.179 -0.556 18717 10061 1 18 . 1 1 61 61 ARG N N 61 117.219 117.219 119.952 -2.733 18717 10062 1 18 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.081 -0.362 18717 10063 1 18 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.370 0.167 18717 10064 1 18 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.556 -0.952 18717 10065 1 18 . 1 1 61 61 ARG H H 61 7.966 7.966 7.609 0.357 18717 10066 1 18 . 1 1 62 62 GLU N N 62 118.341 118.341 119.867 -1.526 18717 10067 1 18 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.120 -0.178 18717 10068 1 18 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.494 -0.458 18717 10069 1 18 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.427 0.056 18717 10070 1 18 . 1 1 62 62 GLU H H 62 7.556 7.556 8.632 -1.076 18717 10071 1 18 . 1 1 63 63 VAL N N 63 116.650 116.650 116.781 -0.131 18717 10072 1 18 . 1 1 63 63 VAL HA H 63 3.581 3.581 4.028 -0.447 18717 10073 1 18 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.948 -1.331 18717 10074 1 18 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.915 -1.634 18717 10075 1 18 . 1 1 63 63 VAL H H 63 7.398 7.398 7.687 -0.289 18717 10076 1 18 . 1 1 64 64 LEU N N 64 121.502 121.502 121.476 0.026 18717 10077 1 18 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.039 -0.331 18717 10078 1 18 . 1 1 64 64 LEU CA C 64 57.867 57.867 57.993 -0.126 18717 10079 1 18 . 1 1 64 64 LEU CB C 64 41.936 41.936 40.983 0.953 18717 10080 1 18 . 1 1 64 64 LEU H H 64 7.889 7.889 8.066 -0.177 18717 10081 1 18 . 1 1 65 65 ASP N N 65 119.200 119.200 118.887 0.313 18717 10082 1 18 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.400 -0.008 18717 10083 1 18 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.963 -0.701 18717 10084 1 18 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.969 -1.244 18717 10085 1 18 . 1 1 65 65 ASP H H 65 7.846 7.846 8.076 -0.230 18717 10086 1 18 . 1 1 66 66 ASN N N 66 120.252 120.252 118.894 1.358 18717 10087 1 18 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.742 -0.239 18717 10088 1 18 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.830 0.260 18717 10089 1 18 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.755 -0.737 18717 10090 1 18 . 1 1 66 66 ASN H H 66 7.480 7.480 7.956 -0.476 18717 10091 1 18 . 1 1 67 67 TRP N N 67 122.830 122.830 121.524 1.306 18717 10092 1 18 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.390 0.109 18717 10093 1 18 . 1 1 67 67 TRP CA C 67 58.287 58.287 62.170 -3.884 18717 10094 1 18 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.442 -1.378 18717 10095 1 18 . 1 1 67 67 TRP H H 67 8.730 8.730 8.768 -0.038 18717 10096 1 18 . 1 1 68 68 ARG N N 68 120.279 120.279 117.792 2.487 18717 10097 1 18 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.056 0.787 18717 10098 1 18 . 1 1 68 68 ARG CA C 68 58.177 58.177 59.394 -1.217 18717 10099 1 18 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.766 -1.460 18717 10100 1 18 . 1 1 68 68 ARG H H 68 7.976 7.976 8.306 -0.330 18717 10101 1 18 . 1 1 69 69 GLU N N 69 121.656 121.656 120.628 1.028 18717 10102 1 18 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.266 0.016 18717 10103 1 18 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.861 0.445 18717 10104 1 18 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.417 0.565 18717 10105 1 18 . 1 1 69 69 GLU H H 69 8.676 8.676 7.626 1.050 18717 10106 1 18 . 1 1 70 70 LEU N N 70 120.066 120.066 120.215 -0.149 18717 10107 1 18 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.253 -0.118 18717 10108 1 18 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.942 0.059 18717 10109 1 18 . 1 1 70 70 LEU CB C 70 42.370 42.370 42.219 0.151 18717 10110 1 18 . 1 1 70 70 LEU H H 70 7.963 7.963 7.772 0.191 18717 10111 1 18 . 1 1 71 71 GLU N N 71 118.326 118.326 118.962 -0.636 18717 10112 1 18 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.232 -0.667 18717 10113 1 18 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.112 0.206 18717 10114 1 18 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.449 0.721 18717 10115 1 18 . 1 1 71 71 GLU H H 71 8.278 8.278 8.212 0.066 18717 10116 1 18 . 1 1 72 72 MET N N 72 117.881 117.881 114.181 3.700 18717 10117 1 18 . 1 1 72 72 MET HA H 72 4.163 4.163 4.540 -0.377 18717 10118 1 18 . 1 1 72 72 MET CA C 72 57.906 57.906 57.673 0.233 18717 10119 1 18 . 1 1 72 72 MET CB C 72 32.006 32.006 33.370 -1.364 18717 10120 1 18 . 1 1 72 72 MET H H 72 7.966 7.966 7.652 0.314 18717 10121 1 18 . 1 1 73 73 LYS N N 73 119.844 119.844 118.799 1.045 18717 10122 1 18 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.313 -0.256 18717 10123 1 18 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.764 0.353 18717 10124 1 18 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.296 0.097 18717 10125 1 18 . 1 1 73 73 LYS H H 73 7.959 7.959 7.441 0.518 18717 10126 1 18 . 1 1 74 74 ALA N N 74 120.588 120.588 120.266 0.322 18717 10127 1 18 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.436 -0.419 18717 10128 1 18 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.201 0.909 18717 10129 1 18 . 1 1 74 74 ALA CB C 74 18.496 18.496 18.720 -0.224 18717 10130 1 18 . 1 1 74 74 ALA H H 74 7.504 7.504 7.598 -0.094 18717 10131 1 18 . 1 1 75 75 ARG N N 75 111.895 111.895 115.838 -3.943 18717 10132 1 18 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.941 -0.136 18717 10133 1 18 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.193 0.180 18717 10134 1 18 . 1 1 75 75 ARG CB C 75 27.396 27.396 28.294 -0.898 18717 10135 1 18 . 1 1 75 75 ARG H H 75 7.550 7.550 7.979 -0.429 18717 10136 1 18 . 1 1 76 76 LYS N N 76 114.585 114.585 116.570 -1.985 18717 10137 1 18 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.383 -0.269 18717 10138 1 18 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.617 -0.115 18717 10139 1 18 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.788 -2.512 18717 10140 1 18 . 1 1 76 76 LYS H H 76 7.810 7.810 7.879 -0.069 18717 10141 1 18 . 1 1 77 77 ARG N N 77 119.199 119.199 121.184 -1.985 18717 10142 1 18 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.552 -0.504 18717 10143 1 18 . 1 1 77 77 ARG CA C 77 55.690 55.690 54.509 1.181 18717 10144 1 18 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.203 1.273 18717 10145 1 18 . 1 1 77 77 ARG H H 77 7.916 7.916 8.416 -0.500 18717 10146 1 18 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.122 0.041 18717 10147 1 18 . 1 1 80 80 THR N N 80 110.230 110.230 112.829 -2.599 18717 10148 1 18 . 1 1 80 80 THR HA H 80 4.526 4.526 4.361 0.165 18717 10149 1 18 . 1 1 80 80 THR CA C 80 58.081 58.081 61.427 -3.346 18717 10150 1 18 . 1 1 80 80 THR CB C 80 67.980 67.980 69.713 -1.733 18717 10151 1 18 . 1 1 80 80 THR H H 80 6.530 6.530 7.690 -1.160 18717 10152 1 18 . 1 1 81 81 THR N N 81 114.552 114.552 119.733 -5.181 18717 10153 1 18 . 1 1 81 81 THR HA H 81 4.260 4.260 4.409 -0.149 18717 10154 1 18 . 1 1 81 81 THR CA C 81 61.767 61.767 61.727 0.040 18717 10155 1 18 . 1 1 81 81 THR CB C 81 68.383 68.383 68.725 -0.342 18717 10156 1 18 . 1 1 81 81 THR H H 81 7.674 7.674 8.565 -0.891 18717 10157 1 18 . 1 1 82 82 LEU N N 82 127.155 127.155 122.157 4.998 18717 10158 1 18 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.775 -0.783 18717 10159 1 18 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.475 -1.762 18717 10160 1 18 . 1 1 82 82 LEU CB C 82 39.378 39.378 42.423 -3.045 18717 10161 1 18 . 1 1 82 82 LEU H H 82 8.465 8.465 7.319 1.146 18717 10162 1 18 . 1 1 83 83 PHE N N 83 113.552 113.552 116.161 -2.609 18717 10163 1 18 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.726 0.196 18717 10164 1 18 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.150 -0.486 18717 10165 1 18 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.520 0.529 18717 10166 1 18 . 1 1 83 83 PHE H H 83 6.370 6.370 7.285 -0.915 18717 10167 1 18 . 1 1 84 84 PHE N N 84 116.628 116.628 115.753 0.875 18717 10168 1 18 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.009 0.266 18717 10169 1 18 . 1 1 84 84 PHE CA C 84 55.351 55.351 55.201 0.150 18717 10170 1 18 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.497 1.326 18717 10171 1 18 . 1 1 84 84 PHE H H 84 9.579 9.579 7.968 1.611 18717 10172 1 18 . 1 1 85 85 ILE N N 85 113.827 113.827 114.572 -0.745 18717 10173 1 18 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.114 0.028 18717 10174 1 18 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.488 -0.202 18717 10175 1 18 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.153 0.134 18717 10176 1 18 . 1 1 85 85 ILE H H 85 9.410 9.410 8.284 1.126 18717 10177 1 18 . 1 1 86 86 GLU N N 86 124.724 124.724 125.095 -0.371 18717 10178 1 18 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.902 -0.277 18717 10179 1 18 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.301 0.415 18717 10180 1 18 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.474 -0.464 18717 10181 1 18 . 1 1 86 86 GLU H H 86 9.957 9.957 8.722 1.235 18717 10182 1 18 . 1 1 87 87 THR N N 87 106.336 106.336 111.753 -5.417 18717 10183 1 18 . 1 1 87 87 THR HA H 87 3.695 3.695 4.109 -0.414 18717 10184 1 18 . 1 1 87 87 THR CA C 87 63.680 63.680 64.998 -1.317 18717 10185 1 18 . 1 1 87 87 THR CB C 87 67.530 67.530 68.118 -0.589 18717 10186 1 18 . 1 1 87 87 THR H H 87 7.659 7.659 7.978 -0.319 18717 10187 1 18 . 1 1 88 88 ASP N N 88 119.814 119.814 120.548 -0.734 18717 10188 1 18 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.511 -0.297 18717 10189 1 18 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.007 1.491 18717 10190 1 18 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.879 -0.798 18717 10191 1 18 . 1 1 88 88 ASP H H 88 7.605 7.605 8.151 -0.546 18717 10192 1 18 . 1 1 89 89 ILE N N 89 113.246 113.246 118.818 -5.572 18717 10193 1 18 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.183 -0.369 18717 10194 1 18 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.241 -2.734 18717 10195 1 18 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.630 -1.831 18717 10196 1 18 . 1 1 89 89 ILE H H 89 6.538 6.538 7.095 -0.557 18717 10197 1 18 . 1 1 90 90 ARG N N 90 119.499 119.499 122.743 -3.244 18717 10198 1 18 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.099 -0.483 18717 10199 1 18 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.355 0.710 18717 10200 1 18 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.473 0.420 18717 10201 1 18 . 1 1 90 90 ARG H H 90 7.721 7.721 8.494 -0.773 18717 10202 1 18 . 1 1 92 92 MET N N 92 113.492 113.492 116.516 -3.024 18717 10203 1 18 . 1 1 92 92 MET HA H 92 4.175 4.175 4.425 -0.250 18717 10204 1 18 . 1 1 92 92 MET CA C 92 55.799 55.799 56.141 -0.342 18717 10205 1 18 . 1 1 92 92 MET CB C 92 33.950 33.950 34.231 -0.281 18717 10206 1 18 . 1 1 92 92 MET H H 92 7.549 7.549 7.751 -0.202 18717 10207 1 18 . 1 1 93 93 LEU N N 93 117.943 117.943 119.121 -1.178 18717 10208 1 18 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.124 0.310 18717 10209 1 18 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.343 -3.488 18717 10210 1 18 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.321 0.538 18717 10211 1 18 . 1 1 93 93 LEU H H 93 7.297 7.297 7.586 -0.289 18717 10212 1 18 . 1 1 94 94 GLN N N 94 121.536 121.536 116.846 4.690 18717 10213 1 18 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.378 -0.210 18717 10214 1 18 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.252 0.840 18717 10215 1 18 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.530 -2.367 18717 10216 1 18 . 1 1 94 94 GLN H H 94 8.675 8.675 8.073 0.602 18717 10217 1 18 . 1 1 95 95 ASP N N 95 123.380 123.380 126.307 -2.927 18717 10218 1 18 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.364 -0.480 18717 10219 1 18 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.703 1.790 18717 10220 1 18 . 1 1 95 95 ASP CB C 95 40.180 40.180 41.103 -0.923 18717 10221 1 18 . 1 1 95 95 ASP H H 95 8.804 8.804 8.862 -0.058 18717 10222 1 18 . 1 1 96 96 ARG N N 96 115.337 115.337 118.030 -2.693 18717 10223 1 18 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.324 -0.235 18717 10224 1 18 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.462 1.345 18717 10225 1 18 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.051 0.380 18717 10226 1 18 . 1 1 96 96 ARG H H 96 8.652 8.652 8.297 0.355 18717 10227 1 18 . 1 1 97 97 LEU N N 97 118.485 118.485 120.084 -1.599 18717 10228 1 18 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.251 0.139 18717 10229 1 18 . 1 1 97 97 LEU CA C 97 54.411 54.411 54.703 -0.292 18717 10230 1 18 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.830 1.264 18717 10231 1 18 . 1 1 97 97 LEU H H 97 7.776 7.776 7.444 0.332 18717 10232 1 18 . 1 1 98 98 ARG N N 98 119.863 119.863 115.035 4.828 18717 10233 1 18 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.139 -0.230 18717 10234 1 18 . 1 1 98 98 ARG CA C 98 62.291 62.291 55.852 6.439 18717 10235 1 18 . 1 1 98 98 ARG CB C 98 27.825 27.825 27.291 0.534 18717 10236 1 18 . 1 1 98 98 ARG H H 98 7.553 7.553 7.450 0.103 18717 10237 1 18 . 1 1 100 100 SER N N 100 111.387 111.387 116.122 -4.735 18717 10238 1 18 . 1 1 100 100 SER HA H 100 4.360 4.360 4.399 -0.039 18717 10239 1 18 . 1 1 100 100 SER CA C 100 59.923 59.923 59.806 0.117 18717 10240 1 18 . 1 1 100 100 SER CB C 100 63.304 63.304 64.356 -1.052 18717 10241 1 18 . 1 1 100 100 SER H H 100 7.616 7.616 8.455 -0.839 18717 10242 1 18 . 1 1 101 101 PHE N N 101 123.367 123.367 124.021 -0.654 18717 10243 1 18 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.014 -0.308 18717 10244 1 18 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.685 1.031 18717 10245 1 18 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.630 0.015 18717 10246 1 18 . 1 1 101 101 PHE H H 101 7.722 7.722 8.332 -0.610 18717 10247 1 18 . 1 1 102 102 ALA N N 102 117.466 117.466 118.010 -0.544 18717 10248 1 18 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.164 -0.288 18717 10249 1 18 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.693 -0.155 18717 10250 1 18 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.352 -0.222 18717 10251 1 18 . 1 1 102 102 ALA H H 102 8.525 8.525 8.774 -0.249 18717 10252 1 18 . 1 1 103 103 LYS N N 103 115.077 115.077 116.992 -1.915 18717 10253 1 18 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.274 -0.209 18717 10254 1 18 . 1 1 103 103 LYS CA C 103 56.736 56.736 56.846 -0.111 18717 10255 1 18 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.245 -1.198 18717 10256 1 18 . 1 1 103 103 LYS H H 103 7.000 7.000 7.918 -0.918 18717 10257 1 18 . 1 1 104 104 ALA N N 104 119.948 119.948 122.098 -2.150 18717 10258 1 18 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.246 -0.438 18717 10259 1 18 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.695 0.304 18717 10260 1 18 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.493 -0.578 18717 10261 1 18 . 1 1 104 104 ALA H H 104 7.955 7.955 7.902 0.053 18717 10262 1 18 . 1 1 105 105 ILE N N 105 116.011 116.011 119.961 -3.950 18717 10263 1 18 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.863 -0.414 18717 10264 1 18 . 1 1 105 105 ILE CA C 105 64.199 64.199 65.084 -0.885 18717 10265 1 18 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.184 -2.188 18717 10266 1 18 . 1 1 105 105 ILE H H 105 7.030 7.030 8.374 -1.344 18717 10267 1 18 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.500 -0.467 18717 10268 1 18 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.874 0.048 18717 10269 1 18 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.028 -0.065 18717 10270 1 18 . 1 1 107 107 CYS N N 107 115.533 115.533 115.410 0.123 18717 10271 1 18 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.434 -0.560 18717 10272 1 18 . 1 1 107 107 CYS CA C 107 61.937 61.937 60.934 1.002 18717 10273 1 18 . 1 1 107 107 CYS CB C 107 26.904 26.904 26.538 0.366 18717 10274 1 18 . 1 1 107 107 CYS H H 107 6.558 6.558 7.749 -1.191 18717 10275 1 18 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.402 -0.549 18717 10276 1 18 . 1 1 109 109 ARG N N 109 120.576 120.576 118.049 2.527 18717 10277 1 18 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.365 0.027 18717 10278 1 18 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.295 0.166 18717 10279 1 18 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.762 0.505 18717 10280 1 18 . 1 1 109 109 ARG H H 109 8.507 8.507 7.927 0.580 18717 10281 1 18 . 1 1 110 110 HIS N N 110 122.218 122.218 122.941 -0.723 18717 10282 1 18 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.351 -0.265 18717 10283 1 18 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.448 1.310 18717 10284 1 18 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.835 1.060 18717 10285 1 18 . 1 1 110 110 HIS H H 110 7.998 7.998 8.515 -0.517 18717 10286 1 18 . 1 1 111 111 ILE N N 111 105.612 105.612 109.747 -4.135 18717 10287 1 18 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.402 -0.072 18717 10288 1 18 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.196 -0.603 18717 10289 1 18 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.422 -1.472 18717 10290 1 18 . 1 1 111 111 ILE H H 111 6.904 6.904 7.561 -0.657 18717 10291 1 18 . 1 1 112 112 ARG N N 112 114.782 114.782 118.379 -3.597 18717 10292 1 18 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.089 -0.188 18717 10293 1 18 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.992 0.323 18717 10294 1 18 . 1 1 112 112 ARG CB C 112 26.240 26.240 28.058 -1.817 18717 10295 1 18 . 1 1 112 112 ARG H H 112 7.660 7.660 8.136 -0.476 18717 10296 1 18 . 1 1 113 113 ARG N N 113 114.996 114.996 118.138 -3.142 18717 10297 1 18 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.525 -0.275 18717 10298 1 18 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.197 -0.543 18717 10299 1 18 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.895 0.227 18717 10300 1 18 . 1 1 113 113 ARG H H 113 8.149 8.149 7.835 0.314 18717 10301 1 18 . 1 1 114 114 ILE N N 114 112.019 112.019 110.982 1.037 18717 10302 1 18 . 1 1 114 114 ILE HA H 114 4.874 4.874 5.022 -0.148 18717 10303 1 18 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.553 -2.951 18717 10304 1 18 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.536 0.864 18717 10305 1 18 . 1 1 114 114 ILE H H 114 6.810 6.810 7.363 -0.553 18717 10306 1 18 . 1 1 115 115 ARG N N 115 122.894 122.894 118.703 4.191 18717 10307 1 18 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.711 -0.354 18717 10308 1 18 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.536 -0.424 18717 10309 1 18 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.982 -1.924 18717 10310 1 18 . 1 1 115 115 ARG H H 115 8.822 8.822 8.164 0.658 18717 10311 1 18 . 1 1 116 116 GLU N N 116 118.962 118.962 118.638 0.324 18717 10312 1 18 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.732 0.583 18717 10313 1 18 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.596 -1.494 18717 10314 1 18 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.648 3.286 18717 10315 1 18 . 1 1 116 116 GLU H H 116 8.329 8.329 8.313 0.016 18717 10316 1 18 . 1 1 117 117 GLU N N 117 124.627 124.627 125.048 -0.421 18717 10317 1 18 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.556 -0.025 18717 10318 1 18 . 1 1 117 117 GLU CA C 117 55.112 55.112 54.956 0.156 18717 10319 1 18 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.828 1.505 18717 10320 1 18 . 1 1 117 117 GLU H H 117 9.028 9.028 8.165 0.863 18717 10321 1 18 . 1 1 118 118 ARG N N 118 127.916 127.916 129.007 -1.091 18717 10322 1 18 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.273 0.339 18717 10323 1 18 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.657 0.136 18717 10324 1 18 . 1 1 118 118 ARG CB C 118 30.141 30.141 28.875 1.266 18717 10325 1 18 . 1 1 118 118 ARG H H 118 8.952 8.952 8.703 0.249 18717 10326 1 18 . 1 1 119 119 CYS N N 119 126.785 126.785 127.894 -1.109 18717 10327 1 18 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.646 0.012 18717 10328 1 18 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.823 -1.375 18717 10329 1 18 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.748 1.444 18717 10330 1 18 . 1 1 119 119 CYS H H 119 8.831 8.831 8.159 0.672 18717 10331 1 18 . 1 1 120 120 GLY N N 120 117.456 117.456 112.941 4.515 18717 10332 1 18 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.361 -0.849 18717 10333 1 18 . 1 1 120 120 GLY H H 120 8.873 8.873 8.042 0.831 18717 10334 1 18 . 1 1 122 122 LEU N N 122 121.777 121.777 118.785 2.992 18717 10335 1 18 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.512 -0.074 18717 10336 1 18 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.570 0.039 18717 10337 1 18 . 1 1 122 122 LEU CB C 122 44.979 44.979 44.812 0.168 18717 10338 1 18 . 1 1 122 122 LEU H H 122 7.270 7.270 7.297 -0.027 18717 10339 1 18 . 1 1 123 123 THR N N 123 118.668 118.668 114.005 4.663 18717 10340 1 18 . 1 1 123 123 THR HA H 123 4.407 4.407 4.645 -0.238 18717 10341 1 18 . 1 1 123 123 THR CA C 123 61.769 61.769 61.975 -0.206 18717 10342 1 18 . 1 1 123 123 THR CB C 123 69.263 69.263 70.622 -1.359 18717 10343 1 18 . 1 1 123 123 THR H H 123 7.649 7.649 7.948 -0.299 18717 10344 1 18 . 1 1 124 124 PHE N N 124 125.265 125.265 124.168 1.097 18717 10345 1 18 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.462 -1.191 18717 10346 1 18 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.500 1.087 18717 10347 1 18 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.766 0.262 18717 10348 1 18 . 1 1 124 124 PHE H H 124 8.553 8.553 8.162 0.391 18717 10349 1 18 . 1 1 125 125 TYR N N 125 118.544 118.544 115.528 3.016 18717 10350 1 18 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.662 0.624 18717 10351 1 18 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.553 -0.804 18717 10352 1 18 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.868 -0.750 18717 10353 1 18 . 1 1 125 125 TYR H H 125 8.616 8.616 8.168 0.448 18717 10354 1 18 . 1 1 126 126 TYR N N 126 115.848 115.848 117.904 -2.056 18717 10355 1 18 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.385 -0.125 18717 10356 1 18 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.142 0.786 18717 10357 1 18 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.868 -1.926 18717 10358 1 18 . 1 1 126 126 TYR H H 126 8.357 8.357 7.573 0.784 18717 10359 1 18 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.550 0.072 18717 10360 1 18 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.848 0.081 18717 10361 1 18 . 1 1 128 128 GLY N N 128 108.039 108.039 114.178 -6.139 18717 10362 1 18 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.721 -1.014 18717 10363 1 18 . 1 1 128 128 GLY H H 128 7.730 7.730 7.991 -0.261 18717 10364 1 18 . 1 1 129 129 SER N N 129 114.228 114.228 118.474 -4.246 18717 10365 1 18 . 1 1 129 129 SER HA H 129 4.438 4.438 4.262 0.176 18717 10366 1 18 . 1 1 129 129 SER CA C 129 57.566 57.566 59.844 -2.278 18717 10367 1 18 . 1 1 129 129 SER CB C 129 63.772 63.772 63.518 0.254 18717 10368 1 18 . 1 1 129 129 SER H H 129 8.102 8.102 8.926 -0.824 18717 10369 1 19 . 1 1 3 3 ASP N N 3 120.763 120.763 119.645 1.118 18717 10370 1 19 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.866 -0.379 18717 10371 1 19 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.428 0.703 18717 10372 1 19 . 1 1 3 3 ASP CB C 3 40.887 40.887 43.541 -2.654 18717 10373 1 19 . 1 1 3 3 ASP H H 3 8.327 8.327 8.441 -0.114 18717 10374 1 19 . 1 1 4 4 ILE N N 4 121.147 121.147 116.765 4.382 18717 10375 1 19 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.498 -0.453 18717 10376 1 19 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.464 1.259 18717 10377 1 19 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.754 -1.294 18717 10378 1 19 . 1 1 4 4 ILE H H 4 7.971 7.971 8.035 -0.064 18717 10379 1 19 . 1 1 5 5 ARG N N 5 123.685 123.685 121.928 1.757 18717 10380 1 19 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.121 0.350 18717 10381 1 19 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.328 -2.909 18717 10382 1 19 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.228 -0.086 18717 10383 1 19 . 1 1 5 5 ARG H H 5 8.067 8.067 8.474 -0.407 18717 10384 1 19 . 1 1 6 6 ILE N N 6 124.881 124.881 122.325 2.556 18717 10385 1 19 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.150 -0.367 18717 10386 1 19 . 1 1 6 6 ILE CA C 6 63.441 63.441 62.224 1.217 18717 10387 1 19 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.040 -0.856 18717 10388 1 19 . 1 1 6 6 ILE H H 6 9.083 9.083 8.525 0.558 18717 10389 1 19 . 1 1 7 7 VAL N N 7 120.527 120.527 113.486 7.041 18717 10390 1 19 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.548 -0.457 18717 10391 1 19 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.311 0.354 18717 10392 1 19 . 1 1 7 7 VAL CB C 7 31.692 31.692 32.634 -0.942 18717 10393 1 19 . 1 1 7 7 VAL H H 7 9.067 9.067 8.173 0.894 18717 10394 1 19 . 1 1 9 9 GLN N N 9 120.479 120.479 117.907 2.572 18717 10395 1 19 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.185 -0.325 18717 10396 1 19 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.216 -0.317 18717 10397 1 19 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.019 0.803 18717 10398 1 19 . 1 1 9 9 GLN H H 9 8.305 8.305 8.291 0.014 18717 10399 1 19 . 1 1 10 10 ILE N N 10 125.746 125.746 115.938 9.808 18717 10400 1 19 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.505 -0.455 18717 10401 1 19 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.804 0.483 18717 10402 1 19 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.687 -2.537 18717 10403 1 19 . 1 1 10 10 ILE H H 10 10.040 10.040 8.184 1.856 18717 10404 1 19 . 1 1 11 11 THR HA H 11 4.459 4.459 4.468 -0.009 18717 10405 1 19 . 1 1 11 11 THR CA C 11 60.124 60.124 60.882 -0.758 18717 10406 1 19 . 1 1 11 11 THR CB C 11 71.036 71.036 69.935 1.101 18717 10407 1 19 . 1 1 12 12 ASP N N 12 121.634 121.634 121.185 0.449 18717 10408 1 19 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.368 -0.135 18717 10409 1 19 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.679 0.112 18717 10410 1 19 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.109 0.736 18717 10411 1 19 . 1 1 12 12 ASP H H 12 8.892 8.892 8.795 0.097 18717 10412 1 19 . 1 1 13 13 GLU N N 13 117.207 117.207 118.812 -1.605 18717 10413 1 19 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.198 -0.349 18717 10414 1 19 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.545 1.138 18717 10415 1 19 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.411 -0.256 18717 10416 1 19 . 1 1 13 13 GLU H H 13 8.421 8.421 8.853 -0.432 18717 10417 1 19 . 1 1 14 14 GLU N N 14 118.579 118.579 117.516 1.063 18717 10418 1 19 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.283 -0.306 18717 10419 1 19 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.127 1.366 18717 10420 1 19 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.343 1.072 18717 10421 1 19 . 1 1 14 14 GLU H H 14 7.647 7.647 7.936 -0.289 18717 10422 1 19 . 1 1 15 15 PHE N N 15 122.867 122.867 118.921 3.946 18717 10423 1 19 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.576 -0.731 18717 10424 1 19 . 1 1 15 15 PHE CA C 15 61.006 61.006 59.449 1.557 18717 10425 1 19 . 1 1 15 15 PHE CB C 15 39.857 39.857 40.944 -1.087 18717 10426 1 19 . 1 1 15 15 PHE H H 15 8.823 8.823 8.069 0.754 18717 10427 1 19 . 1 1 16 16 LYS N N 16 115.192 115.192 118.753 -3.561 18717 10428 1 19 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.263 -0.300 18717 10429 1 19 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.687 0.399 18717 10430 1 19 . 1 1 16 16 LYS CB C 16 32.608 32.608 32.130 0.478 18717 10431 1 19 . 1 1 16 16 LYS H H 16 7.742 7.742 8.302 -0.560 18717 10432 1 19 . 1 1 17 17 THR N N 17 108.709 108.709 111.365 -2.656 18717 10433 1 19 . 1 1 17 17 THR HA H 17 4.269 4.269 4.252 0.017 18717 10434 1 19 . 1 1 17 17 THR CA C 17 61.767 61.767 62.690 -0.923 18717 10435 1 19 . 1 1 17 17 THR CB C 17 69.956 69.956 69.194 0.762 18717 10436 1 19 . 1 1 17 17 THR H H 17 7.518 7.518 7.935 -0.417 18717 10437 1 19 . 1 1 18 18 ILE N N 18 124.707 124.707 119.463 5.244 18717 10438 1 19 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.490 -0.878 18717 10439 1 19 . 1 1 18 18 ILE CA C 18 59.401 59.401 56.972 2.429 18717 10440 1 19 . 1 1 18 18 ILE CB C 18 38.283 38.283 37.799 0.484 18717 10441 1 19 . 1 1 18 18 ILE H H 18 7.063 7.063 7.171 -0.108 18717 10442 1 19 . 1 1 20 20 LYS N N 20 124.646 124.646 119.628 5.018 18717 10443 1 19 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.985 -0.276 18717 10444 1 19 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.926 0.254 18717 10445 1 19 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.584 -0.145 18717 10446 1 19 . 1 1 20 20 LYS H H 20 8.639 8.639 8.847 -0.208 18717 10447 1 19 . 1 1 21 21 TYR N N 21 115.093 115.093 117.947 -2.854 18717 10448 1 19 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.303 0.011 18717 10449 1 19 . 1 1 21 21 TYR CA C 21 58.914 58.914 60.044 -1.130 18717 10450 1 19 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.633 -1.456 18717 10451 1 19 . 1 1 21 21 TYR H H 21 7.897 7.897 8.361 -0.464 18717 10452 1 19 . 1 1 22 22 GLN N N 22 119.745 119.745 116.322 3.423 18717 10453 1 19 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.348 -0.422 18717 10454 1 19 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.226 0.380 18717 10455 1 19 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.009 -0.543 18717 10456 1 19 . 1 1 22 22 GLN H H 22 6.759 6.759 7.840 -1.081 18717 10457 1 19 . 1 1 23 23 LEU N N 23 118.619 118.619 119.687 -1.068 18717 10458 1 19 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.040 -0.188 18717 10459 1 19 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.873 -0.304 18717 10460 1 19 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.575 1.015 18717 10461 1 19 . 1 1 23 23 LEU H H 23 7.115 7.115 7.441 -0.326 18717 10462 1 19 . 1 1 24 24 GLY N N 24 103.606 103.606 105.324 -1.718 18717 10463 1 19 . 1 1 24 24 GLY CA C 24 46.923 46.923 45.021 1.902 18717 10464 1 19 . 1 1 24 24 GLY H H 24 7.541 7.541 7.901 -0.360 18717 10465 1 19 . 1 1 25 25 ARG N N 25 126.033 126.033 116.953 9.080 18717 10466 1 19 . 1 1 25 25 ARG HA H 25 4.280 4.280 3.900 0.380 18717 10467 1 19 . 1 1 25 25 ARG CA C 25 55.373 55.373 56.548 -1.175 18717 10468 1 19 . 1 1 25 25 ARG CB C 25 29.946 29.946 28.061 1.885 18717 10469 1 19 . 1 1 25 25 ARG H H 25 8.850 8.850 8.687 0.163 18717 10470 1 19 . 1 1 26 26 LEU N N 26 121.287 121.287 119.118 2.169 18717 10471 1 19 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.432 -0.174 18717 10472 1 19 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.362 2.234 18717 10473 1 19 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.003 -0.258 18717 10474 1 19 . 1 1 26 26 LEU H H 26 8.017 8.017 7.818 0.199 18717 10475 1 19 . 1 1 27 27 THR N N 27 110.943 110.943 114.763 -3.820 18717 10476 1 19 . 1 1 27 27 THR HA H 27 4.626 4.626 4.580 0.046 18717 10477 1 19 . 1 1 27 27 THR CA C 27 58.272 58.272 60.310 -2.038 18717 10478 1 19 . 1 1 27 27 THR H H 27 7.129 7.129 7.852 -0.723 18717 10479 1 19 . 1 1 28 28 LEU N N 28 124.601 124.601 123.427 1.174 18717 10480 1 19 . 1 1 28 28 LEU HA H 28 3.227 3.227 2.920 0.307 18717 10481 1 19 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.968 -1.134 18717 10482 1 19 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.505 -1.593 18717 10483 1 19 . 1 1 28 28 LEU H H 28 8.404 8.404 7.988 0.416 18717 10484 1 19 . 1 1 29 29 GLU N N 29 117.021 117.021 118.630 -1.609 18717 10485 1 19 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.920 -0.034 18717 10486 1 19 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.602 0.365 18717 10487 1 19 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.175 -0.362 18717 10488 1 19 . 1 1 29 29 GLU H H 29 8.361 8.361 8.652 -0.291 18717 10489 1 19 . 1 1 30 30 MET N N 30 119.159 119.159 117.659 1.500 18717 10490 1 19 . 1 1 30 30 MET HA H 30 3.999 3.999 4.367 -0.368 18717 10491 1 19 . 1 1 30 30 MET CA C 30 58.946 58.946 57.480 1.466 18717 10492 1 19 . 1 1 30 30 MET CB C 30 31.941 31.941 31.921 0.020 18717 10493 1 19 . 1 1 30 30 MET H H 30 7.541 7.541 7.590 -0.049 18717 10494 1 19 . 1 1 31 31 MET N N 31 117.316 117.316 118.103 -0.787 18717 10495 1 19 . 1 1 31 31 MET HA H 31 3.833 3.833 4.026 -0.193 18717 10496 1 19 . 1 1 31 31 MET CA C 31 58.966 58.966 59.139 -0.173 18717 10497 1 19 . 1 1 31 31 MET CB C 31 32.253 32.253 32.206 0.047 18717 10498 1 19 . 1 1 31 31 MET H H 31 8.310 8.310 8.050 0.260 18717 10499 1 19 . 1 1 32 32 ASN N N 32 116.639 116.639 119.203 -2.564 18717 10500 1 19 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.366 0.592 18717 10501 1 19 . 1 1 32 32 ASN CA C 32 54.275 54.275 57.187 -2.912 18717 10502 1 19 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.781 -1.866 18717 10503 1 19 . 1 1 32 32 ASN H H 32 8.728 8.728 8.605 0.123 18717 10504 1 19 . 1 1 33 33 GLU N N 33 125.338 125.338 119.049 6.289 18717 10505 1 19 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.172 0.014 18717 10506 1 19 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.676 0.835 18717 10507 1 19 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.383 -0.155 18717 10508 1 19 . 1 1 33 33 GLU H H 33 7.918 7.918 7.909 0.009 18717 10509 1 19 . 1 1 34 34 ILE N N 34 119.962 119.962 121.460 -1.498 18717 10510 1 19 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.649 -0.178 18717 10511 1 19 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.228 0.566 18717 10512 1 19 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.847 0.075 18717 10513 1 19 . 1 1 34 34 ILE H H 34 7.576 7.576 7.325 0.251 18717 10514 1 19 . 1 1 35 35 VAL N N 35 119.021 119.021 118.620 0.401 18717 10515 1 19 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.811 -0.236 18717 10516 1 19 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.722 0.423 18717 10517 1 19 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.253 0.246 18717 10518 1 19 . 1 1 35 35 VAL H H 35 8.657 8.657 8.434 0.223 18717 10519 1 19 . 1 1 36 36 SER N N 36 114.977 114.977 115.852 -0.875 18717 10520 1 19 . 1 1 36 36 SER HA H 36 4.171 4.171 4.198 -0.027 18717 10521 1 19 . 1 1 36 36 SER CA C 36 61.604 61.604 61.577 0.027 18717 10522 1 19 . 1 1 36 36 SER CB C 36 62.415 62.415 62.959 -0.544 18717 10523 1 19 . 1 1 36 36 SER H H 36 8.175 8.175 7.839 0.336 18717 10524 1 19 . 1 1 37 37 LYS N N 37 119.000 119.000 121.993 -2.993 18717 10525 1 19 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.057 0.120 18717 10526 1 19 . 1 1 37 37 LYS CA C 37 57.155 57.155 59.288 -2.133 18717 10527 1 19 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.394 -2.014 18717 10528 1 19 . 1 1 37 37 LYS H H 37 7.283 7.283 7.843 -0.560 18717 10529 1 19 . 1 1 38 38 MET N N 38 119.061 119.061 117.385 1.676 18717 10530 1 19 . 1 1 38 38 MET HA H 38 3.430 3.430 3.904 -0.474 18717 10531 1 19 . 1 1 38 38 MET CA C 38 59.676 59.676 59.230 0.445 18717 10532 1 19 . 1 1 38 38 MET CB C 38 31.961 31.961 32.405 -0.444 18717 10533 1 19 . 1 1 38 38 MET H H 38 7.740 7.740 7.959 -0.219 18717 10534 1 19 . 1 1 39 39 ASP N N 39 118.445 118.445 119.419 -0.974 18717 10535 1 19 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.530 -0.440 18717 10536 1 19 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.219 1.554 18717 10537 1 19 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.524 2.618 18717 10538 1 19 . 1 1 39 39 ASP H H 39 8.603 8.603 8.053 0.550 18717 10539 1 19 . 1 1 40 40 ASP N N 40 117.427 117.427 120.368 -2.941 18717 10540 1 19 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.444 -0.255 18717 10541 1 19 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.439 -0.112 18717 10542 1 19 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.919 0.122 18717 10543 1 19 . 1 1 40 40 ASP H H 40 8.397 8.397 7.385 1.012 18717 10544 1 19 . 1 1 41 41 PHE N N 41 119.507 119.507 120.258 -0.751 18717 10545 1 19 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.268 -0.297 18717 10546 1 19 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.322 1.840 18717 10547 1 19 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.090 0.408 18717 10548 1 19 . 1 1 41 41 PHE H H 41 8.248 8.248 7.903 0.345 18717 10549 1 19 . 1 1 42 42 LEU N N 42 118.072 118.072 120.180 -2.108 18717 10550 1 19 . 1 1 42 42 LEU HA H 42 3.725 3.725 3.979 -0.254 18717 10551 1 19 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.812 -0.644 18717 10552 1 19 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.242 0.407 18717 10553 1 19 . 1 1 42 42 LEU H H 42 8.203 8.203 8.257 -0.054 18717 10554 1 19 . 1 1 43 43 MET N N 43 121.878 121.878 118.781 3.097 18717 10555 1 19 . 1 1 43 43 MET HA H 43 4.063 4.063 4.213 -0.150 18717 10556 1 19 . 1 1 43 43 MET CA C 43 57.664 57.664 57.521 0.143 18717 10557 1 19 . 1 1 43 43 MET CB C 43 30.833 30.833 32.189 -1.356 18717 10558 1 19 . 1 1 43 43 MET H H 43 9.073 9.073 8.217 0.856 18717 10559 1 19 . 1 1 44 44 LYS N N 44 122.276 122.276 118.934 3.342 18717 10560 1 19 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.038 -0.173 18717 10561 1 19 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.444 0.040 18717 10562 1 19 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.327 -0.802 18717 10563 1 19 . 1 1 44 44 LYS H H 44 7.678 7.678 7.816 -0.138 18717 10564 1 19 . 1 1 46 46 SER N N 46 113.504 113.504 113.466 0.038 18717 10565 1 19 . 1 1 46 46 SER HA H 46 3.744 3.744 4.033 -0.289 18717 10566 1 19 . 1 1 46 46 SER CA C 46 61.358 61.358 61.333 0.025 18717 10567 1 19 . 1 1 46 46 SER CB C 46 62.674 62.674 63.090 -0.416 18717 10568 1 19 . 1 1 46 46 SER H H 46 8.467 8.467 8.045 0.422 18717 10569 1 19 . 1 1 47 47 LYS N N 47 120.235 120.235 121.383 -1.148 18717 10570 1 19 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.440 -0.485 18717 10571 1 19 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.124 0.690 18717 10572 1 19 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.980 0.033 18717 10573 1 19 . 1 1 47 47 LYS H H 47 7.659 7.659 7.465 0.194 18717 10574 1 19 . 1 1 48 48 ILE N N 48 120.699 120.699 118.893 1.806 18717 10575 1 19 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.926 -0.461 18717 10576 1 19 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.998 2.094 18717 10577 1 19 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.526 -0.579 18717 10578 1 19 . 1 1 48 48 ILE H H 48 7.803 7.803 7.338 0.465 18717 10579 1 19 . 1 1 49 49 LEU N N 49 118.686 118.686 118.420 0.266 18717 10580 1 19 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.105 -0.040 18717 10581 1 19 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.567 0.547 18717 10582 1 19 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.667 -0.074 18717 10583 1 19 . 1 1 49 49 LEU H H 49 8.671 8.671 7.491 1.180 18717 10584 1 19 . 1 1 50 50 GLY N N 50 103.264 103.264 106.085 -2.821 18717 10585 1 19 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.883 -0.337 18717 10586 1 19 . 1 1 50 50 GLY H H 50 7.422 7.422 7.559 -0.137 18717 10587 1 19 . 1 1 51 51 LYS N N 51 121.616 121.616 120.739 0.877 18717 10588 1 19 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.200 0.070 18717 10589 1 19 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.935 0.393 18717 10590 1 19 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.767 1.409 18717 10591 1 19 . 1 1 51 51 LYS H H 51 7.227 7.227 7.552 -0.325 18717 10592 1 19 . 1 1 52 52 THR N N 52 112.472 112.472 111.872 0.600 18717 10593 1 19 . 1 1 52 52 THR HA H 52 4.363 4.363 4.555 -0.192 18717 10594 1 19 . 1 1 52 52 THR CA C 52 60.280 60.280 59.855 0.425 18717 10595 1 19 . 1 1 52 52 THR CB C 52 69.989 69.989 71.614 -1.625 18717 10596 1 19 . 1 1 52 52 THR H H 52 8.298 8.298 8.023 0.275 18717 10597 1 19 . 1 1 53 53 ASN N N 53 118.660 118.660 118.667 -0.007 18717 10598 1 19 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.541 -0.278 18717 10599 1 19 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.119 1.447 18717 10600 1 19 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.000 0.190 18717 10601 1 19 . 1 1 53 53 ASN H H 53 8.739 8.739 8.811 -0.072 18717 10602 1 19 . 1 1 54 54 LYS N N 54 116.241 116.241 118.969 -2.728 18717 10603 1 19 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.168 -0.084 18717 10604 1 19 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.307 -0.756 18717 10605 1 19 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.423 -0.045 18717 10606 1 19 . 1 1 54 54 LYS H H 54 7.949 7.949 7.716 0.233 18717 10607 1 19 . 1 1 55 55 GLN N N 55 116.389 116.389 116.962 -0.573 18717 10608 1 19 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.312 -0.129 18717 10609 1 19 . 1 1 55 55 GLN CA C 55 55.621 55.621 56.142 -0.522 18717 10610 1 19 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.804 0.719 18717 10611 1 19 . 1 1 55 55 GLN H H 55 7.492 7.492 7.772 -0.280 18717 10612 1 19 . 1 1 56 56 LEU N N 56 120.014 120.014 122.218 -2.204 18717 10613 1 19 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.095 0.352 18717 10614 1 19 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.778 -0.453 18717 10615 1 19 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.302 0.722 18717 10616 1 19 . 1 1 56 56 LEU H H 56 7.137 7.137 7.988 -0.851 18717 10617 1 19 . 1 1 57 57 THR N N 57 115.673 115.673 117.661 -1.988 18717 10618 1 19 . 1 1 57 57 THR HA H 57 4.491 4.491 4.643 -0.152 18717 10619 1 19 . 1 1 57 57 THR CA C 57 59.638 59.638 60.161 -0.523 18717 10620 1 19 . 1 1 57 57 THR CB C 57 71.233 71.233 70.433 0.800 18717 10621 1 19 . 1 1 57 57 THR H H 57 8.986 8.986 7.900 1.086 18717 10622 1 19 . 1 1 58 58 ARG N N 58 121.180 121.180 121.480 -0.300 18717 10623 1 19 . 1 1 58 58 ARG HA H 58 3.877 3.877 3.967 -0.090 18717 10624 1 19 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.744 0.073 18717 10625 1 19 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.327 0.004 18717 10626 1 19 . 1 1 58 58 ARG H H 58 8.783 8.783 8.770 0.013 18717 10627 1 19 . 1 1 59 59 SER N N 59 113.863 113.863 113.555 0.308 18717 10628 1 19 . 1 1 59 59 SER HA H 59 4.116 4.116 4.444 -0.328 18717 10629 1 19 . 1 1 59 59 SER CA C 59 60.988 60.988 61.539 -0.551 18717 10630 1 19 . 1 1 59 59 SER CB C 59 62.156 62.156 62.466 -0.310 18717 10631 1 19 . 1 1 59 59 SER H H 59 8.198 8.198 8.621 -0.423 18717 10632 1 19 . 1 1 60 60 ASP N N 60 122.780 122.780 121.239 1.541 18717 10633 1 19 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.565 -0.513 18717 10634 1 19 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.613 -0.075 18717 10635 1 19 . 1 1 60 60 ASP CB C 60 41.978 41.978 41.026 0.952 18717 10636 1 19 . 1 1 60 60 ASP H H 60 7.623 7.623 7.878 -0.255 18717 10637 1 19 . 1 1 61 61 ARG N N 61 117.219 117.219 120.049 -2.830 18717 10638 1 19 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.084 -0.365 18717 10639 1 19 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.494 0.043 18717 10640 1 19 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.676 -1.072 18717 10641 1 19 . 1 1 61 61 ARG H H 61 7.966 7.966 7.995 -0.029 18717 10642 1 19 . 1 1 62 62 GLU N N 62 118.341 118.341 120.261 -1.920 18717 10643 1 19 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.062 -0.120 18717 10644 1 19 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.408 -0.372 18717 10645 1 19 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.335 0.148 18717 10646 1 19 . 1 1 62 62 GLU H H 62 7.556 7.556 8.735 -1.179 18717 10647 1 19 . 1 1 63 63 VAL N N 63 116.650 116.650 116.462 0.188 18717 10648 1 19 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.432 0.149 18717 10649 1 19 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.007 -0.391 18717 10650 1 19 . 1 1 63 63 VAL CB C 63 30.281 30.281 30.884 -0.602 18717 10651 1 19 . 1 1 63 63 VAL H H 63 7.398 7.398 7.604 -0.206 18717 10652 1 19 . 1 1 64 64 LEU N N 64 121.502 121.502 122.120 -0.618 18717 10653 1 19 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.415 -0.707 18717 10654 1 19 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.284 -0.417 18717 10655 1 19 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.171 0.765 18717 10656 1 19 . 1 1 64 64 LEU H H 64 7.889 7.889 7.938 -0.049 18717 10657 1 19 . 1 1 65 65 ASP N N 65 119.200 119.200 118.921 0.279 18717 10658 1 19 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.389 0.003 18717 10659 1 19 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.874 -0.612 18717 10660 1 19 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.794 -1.069 18717 10661 1 19 . 1 1 65 65 ASP H H 65 7.846 7.846 8.093 -0.247 18717 10662 1 19 . 1 1 66 66 ASN N N 66 120.252 120.252 119.207 1.045 18717 10663 1 19 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.546 -0.043 18717 10664 1 19 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.157 -0.067 18717 10665 1 19 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.788 -0.769 18717 10666 1 19 . 1 1 66 66 ASN H H 66 7.480 7.480 7.650 -0.170 18717 10667 1 19 . 1 1 67 67 TRP N N 67 122.830 122.830 121.731 1.099 18717 10668 1 19 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.520 -0.021 18717 10669 1 19 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.200 -2.913 18717 10670 1 19 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.040 -0.976 18717 10671 1 19 . 1 1 67 67 TRP H H 67 8.730 8.730 8.494 0.236 18717 10672 1 19 . 1 1 68 68 ARG N N 68 120.279 120.279 117.249 3.030 18717 10673 1 19 . 1 1 68 68 ARG HA H 68 4.843 4.843 4.323 0.520 18717 10674 1 19 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.923 -0.746 18717 10675 1 19 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.877 -1.571 18717 10676 1 19 . 1 1 68 68 ARG H H 68 7.976 7.976 8.124 -0.148 18717 10677 1 19 . 1 1 69 69 GLU N N 69 121.656 121.656 121.480 0.176 18717 10678 1 19 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.261 0.021 18717 10679 1 19 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.921 0.384 18717 10680 1 19 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.394 0.588 18717 10681 1 19 . 1 1 69 69 GLU H H 69 8.676 8.676 7.847 0.829 18717 10682 1 19 . 1 1 70 70 LEU N N 70 120.066 120.066 117.722 2.344 18717 10683 1 19 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.333 -0.198 18717 10684 1 19 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.263 -0.262 18717 10685 1 19 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.420 0.950 18717 10686 1 19 . 1 1 70 70 LEU H H 70 7.963 7.963 8.430 -0.467 18717 10687 1 19 . 1 1 71 71 GLU N N 71 118.326 118.326 119.613 -1.287 18717 10688 1 19 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.330 -0.765 18717 10689 1 19 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.304 0.014 18717 10690 1 19 . 1 1 71 71 GLU CB C 71 30.170 30.170 30.387 -0.217 18717 10691 1 19 . 1 1 71 71 GLU H H 71 8.278 8.278 8.078 0.200 18717 10692 1 19 . 1 1 72 72 MET N N 72 117.881 117.881 114.959 2.922 18717 10693 1 19 . 1 1 72 72 MET HA H 72 4.163 4.163 4.605 -0.442 18717 10694 1 19 . 1 1 72 72 MET CA C 72 57.906 57.906 57.891 0.015 18717 10695 1 19 . 1 1 72 72 MET CB C 72 32.006 32.006 33.378 -1.372 18717 10696 1 19 . 1 1 72 72 MET H H 72 7.966 7.966 7.630 0.336 18717 10697 1 19 . 1 1 73 73 LYS N N 73 119.844 119.844 119.816 0.028 18717 10698 1 19 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.266 -0.209 18717 10699 1 19 . 1 1 73 73 LYS CA C 73 58.117 58.117 58.110 0.007 18717 10700 1 19 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.103 0.290 18717 10701 1 19 . 1 1 73 73 LYS H H 73 7.959 7.959 8.014 -0.055 18717 10702 1 19 . 1 1 74 74 ALA N N 74 120.588 120.588 121.337 -0.749 18717 10703 1 19 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.331 -0.314 18717 10704 1 19 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.309 0.801 18717 10705 1 19 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.411 -0.915 18717 10706 1 19 . 1 1 74 74 ALA H H 74 7.504 7.504 7.567 -0.063 18717 10707 1 19 . 1 1 75 75 ARG N N 75 111.895 111.895 116.660 -4.765 18717 10708 1 19 . 1 1 75 75 ARG HA H 75 3.805 3.805 4.005 -0.200 18717 10709 1 19 . 1 1 75 75 ARG CA C 75 57.373 57.373 56.773 0.600 18717 10710 1 19 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.295 0.101 18717 10711 1 19 . 1 1 75 75 ARG H H 75 7.550 7.550 7.599 -0.049 18717 10712 1 19 . 1 1 76 76 LYS N N 76 114.585 114.585 118.711 -4.126 18717 10713 1 19 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.305 -0.191 18717 10714 1 19 . 1 1 76 76 LYS CA C 76 55.502 55.502 56.577 -1.075 18717 10715 1 19 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.756 -2.480 18717 10716 1 19 . 1 1 76 76 LYS H H 76 7.810 7.810 8.062 -0.252 18717 10717 1 19 . 1 1 77 77 ARG N N 77 119.199 119.199 125.355 -6.156 18717 10718 1 19 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.218 -0.170 18717 10719 1 19 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.596 0.094 18717 10720 1 19 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.600 0.876 18717 10721 1 19 . 1 1 77 77 ARG H H 77 7.916 7.916 8.471 -0.555 18717 10722 1 19 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.142 0.021 18717 10723 1 19 . 1 1 80 80 THR N N 80 110.230 110.230 114.966 -4.736 18717 10724 1 19 . 1 1 80 80 THR HA H 80 4.526 4.526 4.216 0.310 18717 10725 1 19 . 1 1 80 80 THR CA C 80 58.081 58.081 61.615 -3.534 18717 10726 1 19 . 1 1 80 80 THR CB C 80 67.980 67.980 69.037 -1.057 18717 10727 1 19 . 1 1 80 80 THR H H 80 6.530 6.530 7.674 -1.144 18717 10728 1 19 . 1 1 81 81 THR N N 81 114.552 114.552 114.028 0.524 18717 10729 1 19 . 1 1 81 81 THR HA H 81 4.260 4.260 3.691 0.569 18717 10730 1 19 . 1 1 81 81 THR CA C 81 61.767 61.767 62.505 -0.739 18717 10731 1 19 . 1 1 81 81 THR CB C 81 68.383 68.383 69.611 -1.228 18717 10732 1 19 . 1 1 81 81 THR H H 81 7.674 7.674 8.043 -0.369 18717 10733 1 19 . 1 1 82 82 LEU N N 82 127.155 127.155 125.065 2.090 18717 10734 1 19 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.232 -0.240 18717 10735 1 19 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.801 -1.087 18717 10736 1 19 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.283 -0.905 18717 10737 1 19 . 1 1 82 82 LEU H H 82 8.465 8.465 7.505 0.960 18717 10738 1 19 . 1 1 83 83 PHE N N 83 113.552 113.552 117.592 -4.040 18717 10739 1 19 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.513 0.409 18717 10740 1 19 . 1 1 83 83 PHE CA C 83 53.664 53.664 53.577 0.087 18717 10741 1 19 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.805 1.244 18717 10742 1 19 . 1 1 83 83 PHE H H 83 6.370 6.370 6.969 -0.599 18717 10743 1 19 . 1 1 84 84 PHE N N 84 116.628 116.628 114.961 1.667 18717 10744 1 19 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.383 -0.108 18717 10745 1 19 . 1 1 84 84 PHE CA C 84 55.351 55.351 55.929 -0.578 18717 10746 1 19 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.543 1.280 18717 10747 1 19 . 1 1 84 84 PHE H H 84 9.579 9.579 7.790 1.789 18717 10748 1 19 . 1 1 85 85 ILE N N 85 113.827 113.827 115.797 -1.970 18717 10749 1 19 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.146 -0.004 18717 10750 1 19 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.123 0.163 18717 10751 1 19 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.026 0.261 18717 10752 1 19 . 1 1 85 85 ILE H H 85 9.410 9.410 8.671 0.739 18717 10753 1 19 . 1 1 86 86 GLU N N 86 124.724 124.724 124.831 -0.107 18717 10754 1 19 . 1 1 86 86 GLU HA H 86 3.625 3.625 4.002 -0.377 18717 10755 1 19 . 1 1 86 86 GLU CA C 86 60.716 60.716 59.967 0.749 18717 10756 1 19 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.015 -0.005 18717 10757 1 19 . 1 1 86 86 GLU H H 86 9.957 9.957 8.702 1.255 18717 10758 1 19 . 1 1 87 87 THR N N 87 106.336 106.336 111.351 -5.015 18717 10759 1 19 . 1 1 87 87 THR HA H 87 3.695 3.695 4.186 -0.491 18717 10760 1 19 . 1 1 87 87 THR CA C 87 63.680 63.680 64.531 -0.851 18717 10761 1 19 . 1 1 87 87 THR CB C 87 67.530 67.530 68.198 -0.668 18717 10762 1 19 . 1 1 87 87 THR H H 87 7.659 7.659 7.799 -0.140 18717 10763 1 19 . 1 1 88 88 ASP N N 88 119.814 119.814 120.618 -0.804 18717 10764 1 19 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.501 -0.287 18717 10765 1 19 . 1 1 88 88 ASP CA C 88 56.498 56.498 54.863 1.635 18717 10766 1 19 . 1 1 88 88 ASP CB C 88 41.081 41.081 41.928 -0.847 18717 10767 1 19 . 1 1 88 88 ASP H H 88 7.605 7.605 8.196 -0.591 18717 10768 1 19 . 1 1 89 89 ILE N N 89 113.246 113.246 118.574 -5.328 18717 10769 1 19 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.053 -0.239 18717 10770 1 19 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.396 -2.889 18717 10771 1 19 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.128 -1.328 18717 10772 1 19 . 1 1 89 89 ILE H H 89 6.538 6.538 6.955 -0.417 18717 10773 1 19 . 1 1 90 90 ARG N N 90 119.499 119.499 122.860 -3.361 18717 10774 1 19 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.049 -0.433 18717 10775 1 19 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.277 0.788 18717 10776 1 19 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.449 0.444 18717 10777 1 19 . 1 1 90 90 ARG H H 90 7.721 7.721 8.383 -0.662 18717 10778 1 19 . 1 1 92 92 MET N N 92 113.492 113.492 116.611 -3.119 18717 10779 1 19 . 1 1 92 92 MET HA H 92 4.175 4.175 4.387 -0.212 18717 10780 1 19 . 1 1 92 92 MET CA C 92 55.799 55.799 56.403 -0.604 18717 10781 1 19 . 1 1 92 92 MET CB C 92 33.950 33.950 34.080 -0.130 18717 10782 1 19 . 1 1 92 92 MET H H 92 7.549 7.549 7.658 -0.109 18717 10783 1 19 . 1 1 93 93 LEU N N 93 117.943 117.943 119.242 -1.299 18717 10784 1 19 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.104 0.330 18717 10785 1 19 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.380 -3.526 18717 10786 1 19 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.428 0.431 18717 10787 1 19 . 1 1 93 93 LEU H H 93 7.297 7.297 7.635 -0.338 18717 10788 1 19 . 1 1 94 94 GLN N N 94 121.536 121.536 115.306 6.230 18717 10789 1 19 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.443 -0.275 18717 10790 1 19 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.213 0.878 18717 10791 1 19 . 1 1 94 94 GLN CB C 94 29.163 29.163 32.121 -2.958 18717 10792 1 19 . 1 1 94 94 GLN H H 94 8.675 8.675 8.203 0.472 18717 10793 1 19 . 1 1 95 95 ASP N N 95 123.380 123.380 125.089 -1.709 18717 10794 1 19 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.429 -0.545 18717 10795 1 19 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.877 1.616 18717 10796 1 19 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.845 -0.665 18717 10797 1 19 . 1 1 95 95 ASP H H 95 8.804 8.804 8.825 -0.021 18717 10798 1 19 . 1 1 96 96 ARG N N 96 115.337 115.337 116.998 -1.661 18717 10799 1 19 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.387 -0.298 18717 10800 1 19 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.159 1.648 18717 10801 1 19 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.832 -0.401 18717 10802 1 19 . 1 1 96 96 ARG H H 96 8.652 8.652 7.762 0.890 18717 10803 1 19 . 1 1 97 97 LEU N N 97 118.485 118.485 122.167 -3.682 18717 10804 1 19 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.116 0.274 18717 10805 1 19 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.640 -1.229 18717 10806 1 19 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.477 1.617 18717 10807 1 19 . 1 1 97 97 LEU H H 97 7.776 7.776 7.379 0.397 18717 10808 1 19 . 1 1 98 98 ARG N N 98 119.863 119.863 115.177 4.686 18717 10809 1 19 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.102 -0.193 18717 10810 1 19 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.642 5.649 18717 10811 1 19 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.636 -0.811 18717 10812 1 19 . 1 1 98 98 ARG H H 98 7.553 7.553 7.760 -0.207 18717 10813 1 19 . 1 1 100 100 SER N N 100 111.387 111.387 116.467 -5.080 18717 10814 1 19 . 1 1 100 100 SER HA H 100 4.360 4.360 4.468 -0.108 18717 10815 1 19 . 1 1 100 100 SER CA C 100 59.923 59.923 60.021 -0.098 18717 10816 1 19 . 1 1 100 100 SER CB C 100 63.304 63.304 64.557 -1.253 18717 10817 1 19 . 1 1 100 100 SER H H 100 7.616 7.616 8.605 -0.989 18717 10818 1 19 . 1 1 101 101 PHE N N 101 123.367 123.367 123.521 -0.154 18717 10819 1 19 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.143 -0.437 18717 10820 1 19 . 1 1 101 101 PHE CA C 101 62.716 62.716 60.883 1.833 18717 10821 1 19 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.426 0.219 18717 10822 1 19 . 1 1 101 101 PHE H H 101 7.722 7.722 8.305 -0.583 18717 10823 1 19 . 1 1 102 102 ALA N N 102 117.466 117.466 118.986 -1.520 18717 10824 1 19 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.189 -0.313 18717 10825 1 19 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.653 -0.115 18717 10826 1 19 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.249 -0.119 18717 10827 1 19 . 1 1 102 102 ALA H H 102 8.525 8.525 8.812 -0.287 18717 10828 1 19 . 1 1 103 103 LYS N N 103 115.077 115.077 115.965 -0.888 18717 10829 1 19 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.337 -0.272 18717 10830 1 19 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.446 -0.710 18717 10831 1 19 . 1 1 103 103 LYS CB C 103 32.047 32.047 32.934 -0.887 18717 10832 1 19 . 1 1 103 103 LYS H H 103 7.000 7.000 8.004 -1.004 18717 10833 1 19 . 1 1 104 104 ALA N N 104 119.948 119.948 123.317 -3.369 18717 10834 1 19 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.341 -0.533 18717 10835 1 19 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.826 0.173 18717 10836 1 19 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.442 -0.527 18717 10837 1 19 . 1 1 104 104 ALA H H 104 7.955 7.955 7.826 0.129 18717 10838 1 19 . 1 1 105 105 ILE N N 105 116.011 116.011 120.625 -4.614 18717 10839 1 19 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.096 -0.647 18717 10840 1 19 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.578 -0.379 18717 10841 1 19 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.213 -2.216 18717 10842 1 19 . 1 1 105 105 ILE H H 105 7.030 7.030 8.541 -1.511 18717 10843 1 19 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.448 -0.415 18717 10844 1 19 . 1 1 106 106 PRO CA C 106 65.922 65.922 66.064 -0.142 18717 10845 1 19 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.012 -0.049 18717 10846 1 19 . 1 1 107 107 CYS N N 107 115.533 115.533 115.707 -0.174 18717 10847 1 19 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.372 -0.498 18717 10848 1 19 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.949 -0.012 18717 10849 1 19 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.101 -0.197 18717 10850 1 19 . 1 1 107 107 CYS H H 107 6.558 6.558 7.796 -1.238 18717 10851 1 19 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.386 -0.533 18717 10852 1 19 . 1 1 109 109 ARG N N 109 120.576 120.576 118.623 1.953 18717 10853 1 19 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.276 0.116 18717 10854 1 19 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.559 -0.099 18717 10855 1 19 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.612 0.655 18717 10856 1 19 . 1 1 109 109 ARG H H 109 8.507 8.507 8.075 0.432 18717 10857 1 19 . 1 1 110 110 HIS N N 110 122.218 122.218 120.878 1.340 18717 10858 1 19 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.330 -0.244 18717 10859 1 19 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.141 1.617 18717 10860 1 19 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.809 1.085 18717 10861 1 19 . 1 1 110 110 HIS H H 110 7.998 7.998 8.227 -0.229 18717 10862 1 19 . 1 1 111 111 ILE N N 111 105.612 105.612 110.975 -5.363 18717 10863 1 19 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.358 -0.028 18717 10864 1 19 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.273 -0.680 18717 10865 1 19 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.852 -1.902 18717 10866 1 19 . 1 1 111 111 ILE H H 111 6.904 6.904 7.335 -0.431 18717 10867 1 19 . 1 1 112 112 ARG N N 112 114.782 114.782 117.585 -2.803 18717 10868 1 19 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.056 -0.155 18717 10869 1 19 . 1 1 112 112 ARG CA C 112 57.315 57.315 56.728 0.587 18717 10870 1 19 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.767 -0.527 18717 10871 1 19 . 1 1 112 112 ARG H H 112 7.660 7.660 8.161 -0.501 18717 10872 1 19 . 1 1 113 113 ARG N N 113 114.996 114.996 118.334 -3.338 18717 10873 1 19 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.431 -0.181 18717 10874 1 19 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.096 -0.442 18717 10875 1 19 . 1 1 113 113 ARG CB C 113 33.122 33.122 32.674 0.448 18717 10876 1 19 . 1 1 113 113 ARG H H 113 8.149 8.149 7.951 0.198 18717 10877 1 19 . 1 1 114 114 ILE N N 114 112.019 112.019 110.973 1.046 18717 10878 1 19 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.911 -0.037 18717 10879 1 19 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.553 -2.951 18717 10880 1 19 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.455 0.945 18717 10881 1 19 . 1 1 114 114 ILE H H 114 6.810 6.810 7.318 -0.508 18717 10882 1 19 . 1 1 115 115 ARG N N 115 122.894 122.894 118.774 4.120 18717 10883 1 19 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.691 -0.334 18717 10884 1 19 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.280 -0.168 18717 10885 1 19 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.789 -1.732 18717 10886 1 19 . 1 1 115 115 ARG H H 115 8.822 8.822 8.314 0.508 18717 10887 1 19 . 1 1 116 116 GLU N N 116 118.962 118.962 118.894 0.068 18717 10888 1 19 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.685 0.630 18717 10889 1 19 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.540 -1.438 18717 10890 1 19 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.060 2.874 18717 10891 1 19 . 1 1 116 116 GLU H H 116 8.329 8.329 8.257 0.072 18717 10892 1 19 . 1 1 117 117 GLU N N 117 124.627 124.627 124.519 0.108 18717 10893 1 19 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.529 0.002 18717 10894 1 19 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.035 0.077 18717 10895 1 19 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.898 1.435 18717 10896 1 19 . 1 1 117 117 GLU H H 117 9.028 9.028 8.326 0.702 18717 10897 1 19 . 1 1 118 118 ARG N N 118 127.916 127.916 128.509 -0.593 18717 10898 1 19 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.264 0.348 18717 10899 1 19 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.719 0.074 18717 10900 1 19 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.117 1.024 18717 10901 1 19 . 1 1 118 118 ARG H H 118 8.952 8.952 8.697 0.255 18717 10902 1 19 . 1 1 119 119 CYS N N 119 126.785 126.785 128.205 -1.420 18717 10903 1 19 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.695 -0.037 18717 10904 1 19 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.455 -1.006 18717 10905 1 19 . 1 1 119 119 CYS CB C 119 28.192 28.192 26.609 1.583 18717 10906 1 19 . 1 1 119 119 CYS H H 119 8.831 8.831 8.179 0.652 18717 10907 1 19 . 1 1 120 120 GLY N N 120 117.456 117.456 114.790 2.666 18717 10908 1 19 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.597 -1.085 18717 10909 1 19 . 1 1 120 120 GLY H H 120 8.873 8.873 8.308 0.565 18717 10910 1 19 . 1 1 122 122 LEU N N 122 121.777 121.777 117.488 4.289 18717 10911 1 19 . 1 1 122 122 LEU HA H 122 4.438 4.438 5.034 -0.596 18717 10912 1 19 . 1 1 122 122 LEU CA C 122 53.609 53.609 52.881 0.728 18717 10913 1 19 . 1 1 122 122 LEU CB C 122 44.979 44.979 45.678 -0.699 18717 10914 1 19 . 1 1 122 122 LEU H H 122 7.270 7.270 7.366 -0.096 18717 10915 1 19 . 1 1 123 123 THR N N 123 118.668 118.668 114.144 4.524 18717 10916 1 19 . 1 1 123 123 THR HA H 123 4.407 4.407 4.851 -0.444 18717 10917 1 19 . 1 1 123 123 THR CA C 123 61.769 61.769 61.550 0.219 18717 10918 1 19 . 1 1 123 123 THR CB C 123 69.263 69.263 71.285 -2.022 18717 10919 1 19 . 1 1 123 123 THR H H 123 7.649 7.649 8.143 -0.494 18717 10920 1 19 . 1 1 124 124 PHE N N 124 125.265 125.265 124.016 1.249 18717 10921 1 19 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.495 -1.224 18717 10922 1 19 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.141 1.446 18717 10923 1 19 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.431 0.597 18717 10924 1 19 . 1 1 124 124 PHE H H 124 8.553 8.553 8.721 -0.168 18717 10925 1 19 . 1 1 125 125 TYR N N 125 118.544 118.544 116.785 1.759 18717 10926 1 19 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.727 0.559 18717 10927 1 19 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.623 -0.873 18717 10928 1 19 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.573 -0.455 18717 10929 1 19 . 1 1 125 125 TYR H H 125 8.616 8.616 8.122 0.494 18717 10930 1 19 . 1 1 126 126 TYR N N 126 115.848 115.848 118.151 -2.303 18717 10931 1 19 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.370 -0.110 18717 10932 1 19 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.982 0.946 18717 10933 1 19 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.644 -1.702 18717 10934 1 19 . 1 1 126 126 TYR H H 126 8.357 8.357 7.538 0.819 18717 10935 1 19 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.383 0.239 18717 10936 1 19 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.997 -0.068 18717 10937 1 19 . 1 1 128 128 GLY N N 128 108.039 108.039 113.860 -5.821 18717 10938 1 19 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.215 -0.508 18717 10939 1 19 . 1 1 128 128 GLY H H 128 7.730 7.730 7.766 -0.036 18717 10940 1 19 . 1 1 129 129 SER N N 129 114.228 114.228 113.841 0.387 18717 10941 1 19 . 1 1 129 129 SER HA H 129 4.438 4.438 4.750 -0.312 18717 10942 1 19 . 1 1 129 129 SER CA C 129 57.566 57.566 56.934 0.632 18717 10943 1 19 . 1 1 129 129 SER CB C 129 63.772 63.772 65.683 -1.911 18717 10944 1 19 . 1 1 129 129 SER H H 129 8.102 8.102 8.235 -0.133 18717 10945 1 20 . 1 1 3 3 ASP N N 3 120.763 120.763 121.922 -1.159 18717 10946 1 20 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.680 -0.193 18717 10947 1 20 . 1 1 3 3 ASP CA C 3 54.131 54.131 54.748 -0.617 18717 10948 1 20 . 1 1 3 3 ASP CB C 3 40.887 40.887 42.086 -1.199 18717 10949 1 20 . 1 1 3 3 ASP H H 3 8.327 8.327 8.417 -0.090 18717 10950 1 20 . 1 1 4 4 ILE N N 4 121.147 121.147 118.008 3.139 18717 10951 1 20 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.011 0.034 18717 10952 1 20 . 1 1 4 4 ILE CA C 4 60.723 60.723 60.202 0.521 18717 10953 1 20 . 1 1 4 4 ILE CB C 4 38.460 38.460 38.246 0.214 18717 10954 1 20 . 1 1 4 4 ILE H H 4 7.971 7.971 8.170 -0.199 18717 10955 1 20 . 1 1 5 5 ARG N N 5 123.685 123.685 120.634 3.051 18717 10956 1 20 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.250 0.221 18717 10957 1 20 . 1 1 5 5 ARG CA C 5 54.419 54.419 56.955 -2.536 18717 10958 1 20 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.343 -0.202 18717 10959 1 20 . 1 1 5 5 ARG H H 5 8.067 8.067 8.449 -0.382 18717 10960 1 20 . 1 1 6 6 ILE N N 6 124.881 124.881 120.890 3.991 18717 10961 1 20 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.150 -0.367 18717 10962 1 20 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.705 1.736 18717 10963 1 20 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.114 -0.930 18717 10964 1 20 . 1 1 6 6 ILE H H 6 9.083 9.083 8.434 0.649 18717 10965 1 20 . 1 1 7 7 VAL N N 7 120.527 120.527 114.054 6.473 18717 10966 1 20 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.471 -0.380 18717 10967 1 20 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.853 -0.188 18717 10968 1 20 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.679 -1.987 18717 10969 1 20 . 1 1 7 7 VAL H H 7 9.067 9.067 8.086 0.981 18717 10970 1 20 . 1 1 9 9 GLN N N 9 120.479 120.479 118.533 1.946 18717 10971 1 20 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.197 -0.338 18717 10972 1 20 . 1 1 9 9 GLN CA C 9 55.899 55.899 56.278 -0.379 18717 10973 1 20 . 1 1 9 9 GLN CB C 9 29.822 29.822 28.788 1.034 18717 10974 1 20 . 1 1 9 9 GLN H H 9 8.305 8.305 8.441 -0.136 18717 10975 1 20 . 1 1 10 10 ILE N N 10 125.746 125.746 118.325 7.421 18717 10976 1 20 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.585 -0.535 18717 10977 1 20 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.913 0.373 18717 10978 1 20 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.078 -1.928 18717 10979 1 20 . 1 1 10 10 ILE H H 10 10.040 10.040 8.284 1.756 18717 10980 1 20 . 1 1 11 11 THR HA H 11 4.459 4.459 4.420 0.039 18717 10981 1 20 . 1 1 11 11 THR CA C 11 60.124 60.124 60.805 -0.681 18717 10982 1 20 . 1 1 11 11 THR CB C 11 71.036 71.036 69.773 1.263 18717 10983 1 20 . 1 1 12 12 ASP N N 12 121.634 121.634 120.788 0.846 18717 10984 1 20 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.476 -0.243 18717 10985 1 20 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.404 0.388 18717 10986 1 20 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.492 0.353 18717 10987 1 20 . 1 1 12 12 ASP H H 12 8.892 8.892 8.766 0.126 18717 10988 1 20 . 1 1 13 13 GLU N N 13 117.207 117.207 117.521 -0.314 18717 10989 1 20 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.112 -0.263 18717 10990 1 20 . 1 1 13 13 GLU CA C 13 59.683 59.683 59.005 0.677 18717 10991 1 20 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.420 -0.265 18717 10992 1 20 . 1 1 13 13 GLU H H 13 8.421 8.421 8.613 -0.192 18717 10993 1 20 . 1 1 14 14 GLU N N 14 118.579 118.579 118.255 0.324 18717 10994 1 20 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.414 -0.437 18717 10995 1 20 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.190 1.303 18717 10996 1 20 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.044 1.371 18717 10997 1 20 . 1 1 14 14 GLU H H 14 7.647 7.647 8.179 -0.532 18717 10998 1 20 . 1 1 15 15 PHE N N 15 122.867 122.867 122.481 0.386 18717 10999 1 20 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.301 -0.456 18717 11000 1 20 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.945 0.061 18717 11001 1 20 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.353 0.504 18717 11002 1 20 . 1 1 15 15 PHE H H 15 8.823 8.823 8.864 -0.040 18717 11003 1 20 . 1 1 16 16 LYS N N 16 115.192 115.192 119.004 -3.812 18717 11004 1 20 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.146 -0.183 18717 11005 1 20 . 1 1 16 16 LYS CA C 16 58.086 58.086 58.161 -0.075 18717 11006 1 20 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.439 1.169 18717 11007 1 20 . 1 1 16 16 LYS H H 16 7.742 7.742 7.989 -0.247 18717 11008 1 20 . 1 1 17 17 THR N N 17 108.709 108.709 111.777 -3.068 18717 11009 1 20 . 1 1 17 17 THR HA H 17 4.269 4.269 4.272 -0.003 18717 11010 1 20 . 1 1 17 17 THR CA C 17 61.767 61.767 62.814 -1.047 18717 11011 1 20 . 1 1 17 17 THR CB C 17 69.956 69.956 69.468 0.488 18717 11012 1 20 . 1 1 17 17 THR H H 17 7.518 7.518 8.101 -0.583 18717 11013 1 20 . 1 1 18 18 ILE N N 18 124.707 124.707 120.333 4.374 18717 11014 1 20 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.540 -0.928 18717 11015 1 20 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.072 2.329 18717 11016 1 20 . 1 1 18 18 ILE CB C 18 38.283 38.283 38.322 -0.039 18717 11017 1 20 . 1 1 18 18 ILE H H 18 7.063 7.063 7.256 -0.193 18717 11018 1 20 . 1 1 20 20 LYS N N 20 124.646 124.646 118.191 6.455 18717 11019 1 20 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.841 -0.132 18717 11020 1 20 . 1 1 20 20 LYS CA C 20 59.180 59.180 59.008 0.172 18717 11021 1 20 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.165 0.275 18717 11022 1 20 . 1 1 20 20 LYS H H 20 8.639 8.639 8.425 0.214 18717 11023 1 20 . 1 1 21 21 TYR N N 21 115.093 115.093 118.871 -3.778 18717 11024 1 20 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.287 0.027 18717 11025 1 20 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.670 -0.756 18717 11026 1 20 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.303 -1.126 18717 11027 1 20 . 1 1 21 21 TYR H H 21 7.897 7.897 7.638 0.259 18717 11028 1 20 . 1 1 22 22 GLN N N 22 119.745 119.745 116.337 3.408 18717 11029 1 20 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.307 -0.381 18717 11030 1 20 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.856 -0.250 18717 11031 1 20 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.408 -0.943 18717 11032 1 20 . 1 1 22 22 GLN H H 22 6.759 6.759 8.108 -1.349 18717 11033 1 20 . 1 1 23 23 LEU N N 23 118.619 118.619 117.716 0.903 18717 11034 1 20 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.063 -0.211 18717 11035 1 20 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.900 -0.331 18717 11036 1 20 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.264 1.326 18717 11037 1 20 . 1 1 23 23 LEU H H 23 7.115 7.115 8.228 -1.113 18717 11038 1 20 . 1 1 24 24 GLY N N 24 103.606 103.606 105.963 -2.357 18717 11039 1 20 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.315 0.608 18717 11040 1 20 . 1 1 24 24 GLY H H 24 7.541 7.541 8.188 -0.647 18717 11041 1 20 . 1 1 25 25 ARG N N 25 126.033 126.033 120.230 5.803 18717 11042 1 20 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.527 -0.247 18717 11043 1 20 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.670 -0.298 18717 11044 1 20 . 1 1 25 25 ARG CB C 25 29.946 29.946 31.777 -1.831 18717 11045 1 20 . 1 1 25 25 ARG H H 25 8.850 8.850 8.027 0.823 18717 11046 1 20 . 1 1 26 26 LEU N N 26 121.287 121.287 119.964 1.323 18717 11047 1 20 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.451 -0.193 18717 11048 1 20 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.489 2.107 18717 11049 1 20 . 1 1 26 26 LEU CB C 26 42.745 42.745 44.147 -1.402 18717 11050 1 20 . 1 1 26 26 LEU H H 26 8.017 8.017 7.968 0.049 18717 11051 1 20 . 1 1 27 27 THR N N 27 110.943 110.943 108.878 2.065 18717 11052 1 20 . 1 1 27 27 THR HA H 27 4.626 4.626 4.718 -0.092 18717 11053 1 20 . 1 1 27 27 THR CA C 27 58.272 58.272 59.520 -1.248 18717 11054 1 20 . 1 1 27 27 THR H H 27 7.129 7.129 7.821 -0.692 18717 11055 1 20 . 1 1 28 28 LEU N N 28 124.601 124.601 122.914 1.687 18717 11056 1 20 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.639 -0.412 18717 11057 1 20 . 1 1 28 28 LEU CA C 28 57.834 57.834 59.081 -1.247 18717 11058 1 20 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.585 -1.673 18717 11059 1 20 . 1 1 28 28 LEU H H 28 8.404 8.404 8.159 0.245 18717 11060 1 20 . 1 1 29 29 GLU N N 29 117.021 117.021 119.116 -2.095 18717 11061 1 20 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.970 -0.084 18717 11062 1 20 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.661 0.306 18717 11063 1 20 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.212 -0.399 18717 11064 1 20 . 1 1 29 29 GLU H H 29 8.361 8.361 8.649 -0.288 18717 11065 1 20 . 1 1 30 30 MET N N 30 119.159 119.159 117.235 1.924 18717 11066 1 20 . 1 1 30 30 MET HA H 30 3.999 3.999 4.469 -0.470 18717 11067 1 20 . 1 1 30 30 MET CA C 30 58.946 58.946 57.447 1.500 18717 11068 1 20 . 1 1 30 30 MET CB C 30 31.941 31.941 32.015 -0.074 18717 11069 1 20 . 1 1 30 30 MET H H 30 7.541 7.541 7.346 0.195 18717 11070 1 20 . 1 1 31 31 MET N N 31 117.316 117.316 118.377 -1.061 18717 11071 1 20 . 1 1 31 31 MET HA H 31 3.833 3.833 4.021 -0.188 18717 11072 1 20 . 1 1 31 31 MET CA C 31 58.966 58.966 59.083 -0.117 18717 11073 1 20 . 1 1 31 31 MET CB C 31 32.253 32.253 32.269 -0.016 18717 11074 1 20 . 1 1 31 31 MET H H 31 8.310 8.310 8.343 -0.033 18717 11075 1 20 . 1 1 32 32 ASN N N 32 116.639 116.639 119.229 -2.590 18717 11076 1 20 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.451 0.507 18717 11077 1 20 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.500 -2.225 18717 11078 1 20 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.348 -1.433 18717 11079 1 20 . 1 1 32 32 ASN H H 32 8.728 8.728 8.562 0.166 18717 11080 1 20 . 1 1 33 33 GLU N N 33 125.338 125.338 119.400 5.938 18717 11081 1 20 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.171 0.015 18717 11082 1 20 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.648 0.863 18717 11083 1 20 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.466 -0.238 18717 11084 1 20 . 1 1 33 33 GLU H H 33 7.918 7.918 7.913 0.005 18717 11085 1 20 . 1 1 34 34 ILE N N 34 119.962 119.962 121.578 -1.616 18717 11086 1 20 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.564 -0.093 18717 11087 1 20 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.361 0.433 18717 11088 1 20 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.929 -0.007 18717 11089 1 20 . 1 1 34 34 ILE H H 34 7.576 7.576 7.433 0.143 18717 11090 1 20 . 1 1 35 35 VAL N N 35 119.021 119.021 118.293 0.728 18717 11091 1 20 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.639 -0.064 18717 11092 1 20 . 1 1 35 35 VAL CA C 35 66.145 66.145 66.376 -0.231 18717 11093 1 20 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.315 0.184 18717 11094 1 20 . 1 1 35 35 VAL H H 35 8.657 8.657 8.292 0.365 18717 11095 1 20 . 1 1 36 36 SER N N 36 114.977 114.977 116.378 -1.401 18717 11096 1 20 . 1 1 36 36 SER HA H 36 4.171 4.171 4.191 -0.020 18717 11097 1 20 . 1 1 36 36 SER CA C 36 61.604 61.604 61.748 -0.144 18717 11098 1 20 . 1 1 36 36 SER CB C 36 62.415 62.415 63.191 -0.775 18717 11099 1 20 . 1 1 36 36 SER H H 36 8.175 8.175 7.847 0.328 18717 11100 1 20 . 1 1 37 37 LYS N N 37 119.000 119.000 121.973 -2.973 18717 11101 1 20 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.024 0.153 18717 11102 1 20 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.783 -1.628 18717 11103 1 20 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.222 -1.842 18717 11104 1 20 . 1 1 37 37 LYS H H 37 7.283 7.283 7.749 -0.466 18717 11105 1 20 . 1 1 38 38 MET N N 38 119.061 119.061 118.356 0.705 18717 11106 1 20 . 1 1 38 38 MET HA H 38 3.430 3.430 3.897 -0.467 18717 11107 1 20 . 1 1 38 38 MET CA C 38 59.676 59.676 59.317 0.359 18717 11108 1 20 . 1 1 38 38 MET CB C 38 31.961 31.961 32.614 -0.653 18717 11109 1 20 . 1 1 38 38 MET H H 38 7.740 7.740 7.884 -0.144 18717 11110 1 20 . 1 1 39 39 ASP N N 39 118.445 118.445 118.396 0.049 18717 11111 1 20 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.510 -0.420 18717 11112 1 20 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.340 1.433 18717 11113 1 20 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.574 2.568 18717 11114 1 20 . 1 1 39 39 ASP H H 39 8.603 8.603 8.043 0.560 18717 11115 1 20 . 1 1 40 40 ASP N N 40 117.427 117.427 120.434 -3.007 18717 11116 1 20 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.385 -0.196 18717 11117 1 20 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.270 0.057 18717 11118 1 20 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.813 0.228 18717 11119 1 20 . 1 1 40 40 ASP H H 40 8.397 8.397 7.481 0.916 18717 11120 1 20 . 1 1 41 41 PHE N N 41 119.507 119.507 119.775 -0.268 18717 11121 1 20 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.189 -0.218 18717 11122 1 20 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.540 1.622 18717 11123 1 20 . 1 1 41 41 PHE CB C 41 39.498 39.498 39.065 0.434 18717 11124 1 20 . 1 1 41 41 PHE H H 41 8.248 8.248 7.848 0.400 18717 11125 1 20 . 1 1 42 42 LEU N N 42 118.072 118.072 120.059 -1.987 18717 11126 1 20 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.203 -0.478 18717 11127 1 20 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.643 -0.475 18717 11128 1 20 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.306 0.343 18717 11129 1 20 . 1 1 42 42 LEU H H 42 8.203 8.203 8.336 -0.133 18717 11130 1 20 . 1 1 43 43 MET N N 43 121.878 121.878 119.216 2.662 18717 11131 1 20 . 1 1 43 43 MET HA H 43 4.063 4.063 4.243 -0.180 18717 11132 1 20 . 1 1 43 43 MET CA C 43 57.664 57.664 57.926 -0.262 18717 11133 1 20 . 1 1 43 43 MET CB C 43 30.833 30.833 32.361 -1.528 18717 11134 1 20 . 1 1 43 43 MET H H 43 9.073 9.073 8.273 0.800 18717 11135 1 20 . 1 1 44 44 LYS N N 44 122.276 122.276 119.330 2.946 18717 11136 1 20 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.027 -0.162 18717 11137 1 20 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.320 0.164 18717 11138 1 20 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.080 -0.555 18717 11139 1 20 . 1 1 44 44 LYS H H 44 7.678 7.678 7.909 -0.231 18717 11140 1 20 . 1 1 46 46 SER N N 46 113.504 113.504 113.612 -0.108 18717 11141 1 20 . 1 1 46 46 SER HA H 46 3.744 3.744 4.168 -0.424 18717 11142 1 20 . 1 1 46 46 SER CA C 46 61.358 61.358 61.106 0.252 18717 11143 1 20 . 1 1 46 46 SER CB C 46 62.674 62.674 63.090 -0.416 18717 11144 1 20 . 1 1 46 46 SER H H 46 8.467 8.467 7.970 0.497 18717 11145 1 20 . 1 1 47 47 LYS N N 47 120.235 120.235 119.301 0.934 18717 11146 1 20 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.229 -0.274 18717 11147 1 20 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.056 0.758 18717 11148 1 20 . 1 1 47 47 LYS CB C 47 32.013 32.013 32.061 -0.048 18717 11149 1 20 . 1 1 47 47 LYS H H 47 7.659 7.659 7.449 0.210 18717 11150 1 20 . 1 1 48 48 ILE N N 48 120.699 120.699 119.133 1.566 18717 11151 1 20 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.965 -0.500 18717 11152 1 20 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.630 2.462 18717 11153 1 20 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.708 -0.761 18717 11154 1 20 . 1 1 48 48 ILE H H 48 7.803 7.803 7.337 0.466 18717 11155 1 20 . 1 1 49 49 LEU N N 49 118.686 118.686 120.525 -1.839 18717 11156 1 20 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.113 -0.048 18717 11157 1 20 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.512 0.602 18717 11158 1 20 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.303 0.290 18717 11159 1 20 . 1 1 49 49 LEU H H 49 8.671 8.671 7.641 1.030 18717 11160 1 20 . 1 1 50 50 GLY N N 50 103.264 103.264 104.439 -1.175 18717 11161 1 20 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.734 -0.188 18717 11162 1 20 . 1 1 50 50 GLY H H 50 7.422 7.422 7.457 -0.035 18717 11163 1 20 . 1 1 51 51 LYS N N 51 121.616 121.616 119.376 2.240 18717 11164 1 20 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.747 -0.477 18717 11165 1 20 . 1 1 51 51 LYS CA C 51 57.328 57.328 54.687 2.641 18717 11166 1 20 . 1 1 51 51 LYS CB C 51 34.176 34.176 34.357 -0.181 18717 11167 1 20 . 1 1 51 51 LYS H H 51 7.227 7.227 7.508 -0.281 18717 11168 1 20 . 1 1 52 52 THR N N 52 112.472 112.472 114.185 -1.713 18717 11169 1 20 . 1 1 52 52 THR HA H 52 4.363 4.363 4.693 -0.330 18717 11170 1 20 . 1 1 52 52 THR CA C 52 60.280 60.280 60.175 0.105 18717 11171 1 20 . 1 1 52 52 THR CB C 52 69.989 69.989 70.656 -0.667 18717 11172 1 20 . 1 1 52 52 THR H H 52 8.298 8.298 7.906 0.392 18717 11173 1 20 . 1 1 53 53 ASN N N 53 118.660 118.660 119.339 -0.679 18717 11174 1 20 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.605 -0.342 18717 11175 1 20 . 1 1 53 53 ASN CA C 53 56.566 56.566 54.657 1.909 18717 11176 1 20 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.287 -0.097 18717 11177 1 20 . 1 1 53 53 ASN H H 53 8.739 8.739 8.777 -0.038 18717 11178 1 20 . 1 1 54 54 LYS N N 54 116.241 116.241 118.401 -2.160 18717 11179 1 20 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.085 -0.001 18717 11180 1 20 . 1 1 54 54 LYS CA C 54 57.551 57.551 58.345 -0.794 18717 11181 1 20 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.532 -0.154 18717 11182 1 20 . 1 1 54 54 LYS H H 54 7.949 7.949 7.470 0.479 18717 11183 1 20 . 1 1 55 55 GLN N N 55 116.389 116.389 117.139 -0.750 18717 11184 1 20 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.302 -0.119 18717 11185 1 20 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.829 -0.208 18717 11186 1 20 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.430 1.093 18717 11187 1 20 . 1 1 55 55 GLN H H 55 7.492 7.492 7.863 -0.371 18717 11188 1 20 . 1 1 56 56 LEU N N 56 120.014 120.014 122.527 -2.513 18717 11189 1 20 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.087 0.360 18717 11190 1 20 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.432 -0.107 18717 11191 1 20 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.355 0.669 18717 11192 1 20 . 1 1 56 56 LEU H H 56 7.137 7.137 7.831 -0.694 18717 11193 1 20 . 1 1 57 57 THR N N 57 115.673 115.673 117.631 -1.958 18717 11194 1 20 . 1 1 57 57 THR HA H 57 4.491 4.491 4.577 -0.086 18717 11195 1 20 . 1 1 57 57 THR CA C 57 59.638 59.638 60.053 -0.415 18717 11196 1 20 . 1 1 57 57 THR CB C 57 71.233 71.233 70.642 0.591 18717 11197 1 20 . 1 1 57 57 THR H H 57 8.986 8.986 7.897 1.089 18717 11198 1 20 . 1 1 58 58 ARG N N 58 121.180 121.180 120.486 0.694 18717 11199 1 20 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.057 -0.180 18717 11200 1 20 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.538 0.279 18717 11201 1 20 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.894 -0.563 18717 11202 1 20 . 1 1 58 58 ARG H H 58 8.783 8.783 8.729 0.054 18717 11203 1 20 . 1 1 59 59 SER N N 59 113.863 113.863 114.194 -0.331 18717 11204 1 20 . 1 1 59 59 SER HA H 59 4.116 4.116 4.109 0.007 18717 11205 1 20 . 1 1 59 59 SER CA C 59 60.988 60.988 61.556 -0.568 18717 11206 1 20 . 1 1 59 59 SER CB C 59 62.156 62.156 62.583 -0.427 18717 11207 1 20 . 1 1 59 59 SER H H 59 8.198 8.198 8.194 0.004 18717 11208 1 20 . 1 1 60 60 ASP N N 60 122.780 122.780 120.894 1.886 18717 11209 1 20 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.502 -0.450 18717 11210 1 20 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.735 -0.197 18717 11211 1 20 . 1 1 60 60 ASP CB C 60 41.978 41.978 41.035 0.944 18717 11212 1 20 . 1 1 60 60 ASP H H 60 7.623 7.623 7.893 -0.270 18717 11213 1 20 . 1 1 61 61 ARG N N 61 117.219 117.219 119.785 -2.566 18717 11214 1 20 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.098 -0.379 18717 11215 1 20 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.336 0.202 18717 11216 1 20 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.465 -0.861 18717 11217 1 20 . 1 1 61 61 ARG H H 61 7.966 7.966 7.856 0.110 18717 11218 1 20 . 1 1 62 62 GLU N N 62 118.341 118.341 120.298 -1.957 18717 11219 1 20 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.180 -0.238 18717 11220 1 20 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.477 -0.441 18717 11221 1 20 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.039 0.444 18717 11222 1 20 . 1 1 62 62 GLU H H 62 7.556 7.556 8.391 -0.835 18717 11223 1 20 . 1 1 63 63 VAL N N 63 116.650 116.650 117.225 -0.575 18717 11224 1 20 . 1 1 63 63 VAL HA H 63 3.581 3.581 4.063 -0.482 18717 11225 1 20 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.764 -1.147 18717 11226 1 20 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.671 -1.390 18717 11227 1 20 . 1 1 63 63 VAL H H 63 7.398 7.398 7.745 -0.347 18717 11228 1 20 . 1 1 64 64 LEU N N 64 121.502 121.502 122.355 -0.853 18717 11229 1 20 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.162 -0.454 18717 11230 1 20 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.416 -0.549 18717 11231 1 20 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.157 0.779 18717 11232 1 20 . 1 1 64 64 LEU H H 64 7.889 7.889 8.326 -0.437 18717 11233 1 20 . 1 1 65 65 ASP N N 65 119.200 119.200 118.534 0.666 18717 11234 1 20 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.444 -0.052 18717 11235 1 20 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.947 -0.685 18717 11236 1 20 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.942 -1.217 18717 11237 1 20 . 1 1 65 65 ASP H H 65 7.846 7.846 8.119 -0.273 18717 11238 1 20 . 1 1 66 66 ASN N N 66 120.252 120.252 118.806 1.446 18717 11239 1 20 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.577 -0.074 18717 11240 1 20 . 1 1 66 66 ASN CA C 66 56.090 56.090 56.001 0.089 18717 11241 1 20 . 1 1 66 66 ASN CB C 66 38.019 38.019 39.171 -1.152 18717 11242 1 20 . 1 1 66 66 ASN H H 66 7.480 7.480 7.786 -0.306 18717 11243 1 20 . 1 1 67 67 TRP N N 67 122.830 122.830 123.265 -0.435 18717 11244 1 20 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.431 0.068 18717 11245 1 20 . 1 1 67 67 TRP CA C 67 58.287 58.287 61.083 -2.796 18717 11246 1 20 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.307 -1.243 18717 11247 1 20 . 1 1 67 67 TRP H H 67 8.730 8.730 8.773 -0.043 18717 11248 1 20 . 1 1 68 68 ARG N N 68 120.279 120.279 118.303 1.976 18717 11249 1 20 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.374 1.469 18717 11250 1 20 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.116 0.061 18717 11251 1 20 . 1 1 68 68 ARG CB C 68 28.306 28.306 28.769 -0.463 18717 11252 1 20 . 1 1 68 68 ARG H H 68 7.976 7.976 7.991 -0.015 18717 11253 1 20 . 1 1 69 69 GLU N N 69 121.656 121.656 121.198 0.458 18717 11254 1 20 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.149 0.133 18717 11255 1 20 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.832 0.473 18717 11256 1 20 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.295 0.687 18717 11257 1 20 . 1 1 69 69 GLU H H 69 8.676 8.676 7.664 1.012 18717 11258 1 20 . 1 1 70 70 LEU N N 70 120.066 120.066 116.846 3.220 18717 11259 1 20 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.314 -0.179 18717 11260 1 20 . 1 1 70 70 LEU CA C 70 58.001 58.001 57.806 0.195 18717 11261 1 20 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.494 0.876 18717 11262 1 20 . 1 1 70 70 LEU H H 70 7.963 7.963 7.721 0.242 18717 11263 1 20 . 1 1 71 71 GLU N N 71 118.326 118.326 120.062 -1.736 18717 11264 1 20 . 1 1 71 71 GLU HA H 71 3.565 3.565 3.997 -0.432 18717 11265 1 20 . 1 1 71 71 GLU CA C 71 59.318 59.318 58.471 0.847 18717 11266 1 20 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.353 0.817 18717 11267 1 20 . 1 1 71 71 GLU H H 71 8.278 8.278 7.737 0.541 18717 11268 1 20 . 1 1 72 72 MET N N 72 117.881 117.881 114.143 3.738 18717 11269 1 20 . 1 1 72 72 MET HA H 72 4.163 4.163 4.540 -0.377 18717 11270 1 20 . 1 1 72 72 MET CA C 72 57.906 57.906 57.471 0.435 18717 11271 1 20 . 1 1 72 72 MET CB C 72 32.006 32.006 33.254 -1.248 18717 11272 1 20 . 1 1 72 72 MET H H 72 7.966 7.966 7.564 0.402 18717 11273 1 20 . 1 1 73 73 LYS N N 73 119.844 119.844 117.916 1.928 18717 11274 1 20 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.287 -0.231 18717 11275 1 20 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.331 0.786 18717 11276 1 20 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.334 0.059 18717 11277 1 20 . 1 1 73 73 LYS H H 73 7.959 7.959 7.583 0.376 18717 11278 1 20 . 1 1 74 74 ALA N N 74 120.588 120.588 121.572 -0.984 18717 11279 1 20 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.358 -0.341 18717 11280 1 20 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.447 0.663 18717 11281 1 20 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.166 -0.670 18717 11282 1 20 . 1 1 74 74 ALA H H 74 7.504 7.504 7.586 -0.082 18717 11283 1 20 . 1 1 75 75 ARG N N 75 111.895 111.895 115.280 -3.385 18717 11284 1 20 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.823 -0.018 18717 11285 1 20 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.210 0.163 18717 11286 1 20 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.541 -0.145 18717 11287 1 20 . 1 1 75 75 ARG H H 75 7.550 7.550 8.190 -0.640 18717 11288 1 20 . 1 1 76 76 LYS N N 76 114.585 114.585 117.623 -3.038 18717 11289 1 20 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.276 -0.162 18717 11290 1 20 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.515 -0.013 18717 11291 1 20 . 1 1 76 76 LYS CB C 76 32.276 32.276 35.306 -3.030 18717 11292 1 20 . 1 1 76 76 LYS H H 76 7.810 7.810 7.815 -0.005 18717 11293 1 20 . 1 1 77 77 ARG N N 77 119.199 119.199 126.174 -6.975 18717 11294 1 20 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.644 -0.596 18717 11295 1 20 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.389 0.301 18717 11296 1 20 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.768 0.708 18717 11297 1 20 . 1 1 77 77 ARG H H 77 7.916 7.916 8.495 -0.579 18717 11298 1 20 . 1 1 78 78 LEU HA H 78 4.163 4.163 3.989 0.174 18717 11299 1 20 . 1 1 80 80 THR N N 80 110.230 110.230 111.722 -1.492 18717 11300 1 20 . 1 1 80 80 THR HA H 80 4.526 4.526 4.316 0.210 18717 11301 1 20 . 1 1 80 80 THR CA C 80 58.081 58.081 62.213 -4.132 18717 11302 1 20 . 1 1 80 80 THR CB C 80 67.980 67.980 69.439 -1.459 18717 11303 1 20 . 1 1 80 80 THR H H 80 6.530 6.530 7.798 -1.268 18717 11304 1 20 . 1 1 81 81 THR N N 81 114.552 114.552 116.272 -1.720 18717 11305 1 20 . 1 1 81 81 THR HA H 81 4.260 4.260 4.577 -0.317 18717 11306 1 20 . 1 1 81 81 THR CA C 81 61.767 61.767 62.553 -0.786 18717 11307 1 20 . 1 1 81 81 THR CB C 81 68.383 68.383 69.806 -1.423 18717 11308 1 20 . 1 1 81 81 THR H H 81 7.674 7.674 8.552 -0.878 18717 11309 1 20 . 1 1 82 82 LEU N N 82 127.155 127.155 126.438 0.717 18717 11310 1 20 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.231 -0.239 18717 11311 1 20 . 1 1 82 82 LEU CA C 82 52.714 52.714 53.910 -1.196 18717 11312 1 20 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.640 -1.262 18717 11313 1 20 . 1 1 82 82 LEU H H 82 8.465 8.465 7.517 0.948 18717 11314 1 20 . 1 1 83 83 PHE N N 83 113.552 113.552 117.517 -3.965 18717 11315 1 20 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.591 0.331 18717 11316 1 20 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.433 -0.769 18717 11317 1 20 . 1 1 83 83 PHE CB C 83 43.049 43.049 42.209 0.840 18717 11318 1 20 . 1 1 83 83 PHE H H 83 6.370 6.370 7.074 -0.704 18717 11319 1 20 . 1 1 84 84 PHE N N 84 116.628 116.628 116.511 0.117 18717 11320 1 20 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.274 0.001 18717 11321 1 20 . 1 1 84 84 PHE CA C 84 55.351 55.351 54.910 0.441 18717 11322 1 20 . 1 1 84 84 PHE CB C 84 42.823 42.823 41.078 1.745 18717 11323 1 20 . 1 1 84 84 PHE H H 84 9.579 9.579 7.643 1.936 18717 11324 1 20 . 1 1 85 85 ILE N N 85 113.827 113.827 114.067 -0.240 18717 11325 1 20 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.054 0.088 18717 11326 1 20 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.498 -0.212 18717 11327 1 20 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.215 0.072 18717 11328 1 20 . 1 1 85 85 ILE H H 85 9.410 9.410 8.247 1.163 18717 11329 1 20 . 1 1 86 86 GLU N N 86 124.724 124.724 124.629 0.095 18717 11330 1 20 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.988 -0.363 18717 11331 1 20 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.387 0.329 18717 11332 1 20 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.623 -0.613 18717 11333 1 20 . 1 1 86 86 GLU H H 86 9.957 9.957 8.625 1.332 18717 11334 1 20 . 1 1 87 87 THR N N 87 106.336 106.336 110.241 -3.905 18717 11335 1 20 . 1 1 87 87 THR HA H 87 3.695 3.695 4.215 -0.520 18717 11336 1 20 . 1 1 87 87 THR CA C 87 63.680 63.680 64.468 -0.788 18717 11337 1 20 . 1 1 87 87 THR CB C 87 67.530 67.530 68.034 -0.504 18717 11338 1 20 . 1 1 87 87 THR H H 87 7.659 7.659 8.341 -0.682 18717 11339 1 20 . 1 1 88 88 ASP N N 88 119.814 119.814 119.747 0.067 18717 11340 1 20 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.918 -0.704 18717 11341 1 20 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.224 1.274 18717 11342 1 20 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.566 -1.485 18717 11343 1 20 . 1 1 88 88 ASP H H 88 7.605 7.605 8.336 -0.731 18717 11344 1 20 . 1 1 89 89 ILE N N 89 113.246 113.246 118.848 -5.602 18717 11345 1 20 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.372 -0.558 18717 11346 1 20 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.668 -3.161 18717 11347 1 20 . 1 1 89 89 ILE CB C 89 36.800 36.800 39.388 -2.588 18717 11348 1 20 . 1 1 89 89 ILE H H 89 6.538 6.538 7.379 -0.841 18717 11349 1 20 . 1 1 90 90 ARG N N 90 119.499 119.499 122.986 -3.487 18717 11350 1 20 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.194 -0.578 18717 11351 1 20 . 1 1 90 90 ARG CA C 90 62.065 62.065 60.872 1.193 18717 11352 1 20 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.517 0.376 18717 11353 1 20 . 1 1 90 90 ARG H H 90 7.721 7.721 8.543 -0.822 18717 11354 1 20 . 1 1 92 92 MET N N 92 113.492 113.492 116.536 -3.044 18717 11355 1 20 . 1 1 92 92 MET HA H 92 4.175 4.175 4.443 -0.268 18717 11356 1 20 . 1 1 92 92 MET CA C 92 55.799 55.799 56.300 -0.501 18717 11357 1 20 . 1 1 92 92 MET CB C 92 33.950 33.950 34.213 -0.263 18717 11358 1 20 . 1 1 92 92 MET H H 92 7.549 7.549 7.670 -0.121 18717 11359 1 20 . 1 1 93 93 LEU N N 93 117.943 117.943 119.483 -1.540 18717 11360 1 20 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.115 0.319 18717 11361 1 20 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.489 -3.634 18717 11362 1 20 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.267 0.592 18717 11363 1 20 . 1 1 93 93 LEU H H 93 7.297 7.297 7.513 -0.216 18717 11364 1 20 . 1 1 94 94 GLN N N 94 121.536 121.536 115.911 5.625 18717 11365 1 20 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.441 -0.273 18717 11366 1 20 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.126 0.965 18717 11367 1 20 . 1 1 94 94 GLN CB C 94 29.163 29.163 32.001 -2.838 18717 11368 1 20 . 1 1 94 94 GLN H H 94 8.675 8.675 8.235 0.440 18717 11369 1 20 . 1 1 95 95 ASP N N 95 123.380 123.380 125.114 -1.734 18717 11370 1 20 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.450 -0.566 18717 11371 1 20 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.814 1.679 18717 11372 1 20 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.868 -0.688 18717 11373 1 20 . 1 1 95 95 ASP H H 95 8.804 8.804 8.833 -0.029 18717 11374 1 20 . 1 1 96 96 ARG N N 96 115.337 115.337 115.618 -0.281 18717 11375 1 20 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.409 -0.320 18717 11376 1 20 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.008 1.799 18717 11377 1 20 . 1 1 96 96 ARG CB C 96 29.431 29.431 30.012 -0.581 18717 11378 1 20 . 1 1 96 96 ARG H H 96 8.652 8.652 7.904 0.748 18717 11379 1 20 . 1 1 97 97 LEU N N 97 118.485 118.485 120.611 -2.126 18717 11380 1 20 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.109 0.281 18717 11381 1 20 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.577 -1.165 18717 11382 1 20 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.381 1.713 18717 11383 1 20 . 1 1 97 97 LEU H H 97 7.776 7.776 7.423 0.353 18717 11384 1 20 . 1 1 98 98 ARG N N 98 119.863 119.863 114.324 5.539 18717 11385 1 20 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.139 -0.230 18717 11386 1 20 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.544 5.747 18717 11387 1 20 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.206 -0.381 18717 11388 1 20 . 1 1 98 98 ARG H H 98 7.553 7.553 7.810 -0.257 18717 11389 1 20 . 1 1 100 100 SER N N 100 111.387 111.387 116.298 -4.911 18717 11390 1 20 . 1 1 100 100 SER HA H 100 4.360 4.360 4.460 -0.100 18717 11391 1 20 . 1 1 100 100 SER CA C 100 59.923 59.923 59.477 0.446 18717 11392 1 20 . 1 1 100 100 SER CB C 100 63.304 63.304 63.759 -0.455 18717 11393 1 20 . 1 1 100 100 SER H H 100 7.616 7.616 8.567 -0.951 18717 11394 1 20 . 1 1 101 101 PHE N N 101 123.367 123.367 122.697 0.670 18717 11395 1 20 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.064 -0.358 18717 11396 1 20 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.378 1.338 18717 11397 1 20 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.822 -0.177 18717 11398 1 20 . 1 1 101 101 PHE H H 101 7.722 7.722 8.384 -0.662 18717 11399 1 20 . 1 1 102 102 ALA N N 102 117.466 117.466 118.586 -1.120 18717 11400 1 20 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.111 -0.235 18717 11401 1 20 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.679 -0.141 18717 11402 1 20 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.232 -0.102 18717 11403 1 20 . 1 1 102 102 ALA H H 102 8.525 8.525 8.796 -0.271 18717 11404 1 20 . 1 1 103 103 LYS N N 103 115.077 115.077 116.907 -1.830 18717 11405 1 20 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.422 -0.357 18717 11406 1 20 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.657 -0.921 18717 11407 1 20 . 1 1 103 103 LYS CB C 103 32.047 32.047 32.927 -0.880 18717 11408 1 20 . 1 1 103 103 LYS H H 103 7.000 7.000 8.025 -1.025 18717 11409 1 20 . 1 1 104 104 ALA N N 104 119.948 119.948 123.361 -3.413 18717 11410 1 20 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.350 -0.542 18717 11411 1 20 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.739 0.260 18717 11412 1 20 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.346 -0.431 18717 11413 1 20 . 1 1 104 104 ALA H H 104 7.955 7.955 7.816 0.139 18717 11414 1 20 . 1 1 105 105 ILE N N 105 116.011 116.011 120.628 -4.617 18717 11415 1 20 . 1 1 105 105 ILE HA H 105 3.449 3.449 4.031 -0.582 18717 11416 1 20 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.672 -0.473 18717 11417 1 20 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.189 -2.192 18717 11418 1 20 . 1 1 105 105 ILE H H 105 7.030 7.030 8.495 -1.465 18717 11419 1 20 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.465 -0.432 18717 11420 1 20 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.968 -0.046 18717 11421 1 20 . 1 1 106 106 PRO CB C 106 30.963 30.963 31.129 -0.166 18717 11422 1 20 . 1 1 107 107 CYS N N 107 115.533 115.533 115.736 -0.203 18717 11423 1 20 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.489 -0.615 18717 11424 1 20 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.411 0.526 18717 11425 1 20 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.476 -0.572 18717 11426 1 20 . 1 1 107 107 CYS H H 107 6.558 6.558 7.831 -1.273 18717 11427 1 20 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.377 -0.524 18717 11428 1 20 . 1 1 109 109 ARG N N 109 120.576 120.576 117.855 2.721 18717 11429 1 20 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.302 0.090 18717 11430 1 20 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.317 0.144 18717 11431 1 20 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.733 0.534 18717 11432 1 20 . 1 1 109 109 ARG H H 109 8.507 8.507 8.017 0.490 18717 11433 1 20 . 1 1 110 110 HIS N N 110 122.218 122.218 122.464 -0.246 18717 11434 1 20 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.372 -0.286 18717 11435 1 20 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.154 1.604 18717 11436 1 20 . 1 1 110 110 HIS CB C 110 30.895 30.895 30.000 0.895 18717 11437 1 20 . 1 1 110 110 HIS H H 110 7.998 7.998 8.331 -0.333 18717 11438 1 20 . 1 1 111 111 ILE N N 111 105.612 105.612 110.809 -5.197 18717 11439 1 20 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.229 0.101 18717 11440 1 20 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.028 -0.435 18717 11441 1 20 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.985 -2.035 18717 11442 1 20 . 1 1 111 111 ILE H H 111 6.904 6.904 7.233 -0.329 18717 11443 1 20 . 1 1 112 112 ARG N N 112 114.782 114.782 117.197 -2.415 18717 11444 1 20 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.096 -0.195 18717 11445 1 20 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.160 0.155 18717 11446 1 20 . 1 1 112 112 ARG CB C 112 26.240 26.240 26.988 -0.748 18717 11447 1 20 . 1 1 112 112 ARG H H 112 7.660 7.660 7.965 -0.305 18717 11448 1 20 . 1 1 113 113 ARG N N 113 114.996 114.996 115.593 -0.597 18717 11449 1 20 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.533 -0.283 18717 11450 1 20 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.544 -0.890 18717 11451 1 20 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.541 -0.419 18717 11452 1 20 . 1 1 113 113 ARG H H 113 8.149 8.149 7.742 0.407 18717 11453 1 20 . 1 1 114 114 ILE N N 114 112.019 112.019 112.569 -0.550 18717 11454 1 20 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.914 -0.040 18717 11455 1 20 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.131 -2.529 18717 11456 1 20 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.671 0.729 18717 11457 1 20 . 1 1 114 114 ILE H H 114 6.810 6.810 7.309 -0.499 18717 11458 1 20 . 1 1 115 115 ARG N N 115 122.894 122.894 117.888 5.006 18717 11459 1 20 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.605 -0.248 18717 11460 1 20 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.237 -0.125 18717 11461 1 20 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.563 -1.505 18717 11462 1 20 . 1 1 115 115 ARG H H 115 8.822 8.822 8.168 0.654 18717 11463 1 20 . 1 1 116 116 GLU N N 116 118.962 118.962 118.798 0.164 18717 11464 1 20 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.692 0.623 18717 11465 1 20 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.370 -1.268 18717 11466 1 20 . 1 1 116 116 GLU CB C 116 34.934 34.934 32.187 2.748 18717 11467 1 20 . 1 1 116 116 GLU H H 116 8.329 8.329 8.388 -0.059 18717 11468 1 20 . 1 1 117 117 GLU N N 117 124.627 124.627 123.511 1.116 18717 11469 1 20 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.585 -0.054 18717 11470 1 20 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.435 -0.323 18717 11471 1 20 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.817 1.516 18717 11472 1 20 . 1 1 117 117 GLU H H 117 9.028 9.028 8.406 0.622 18717 11473 1 20 . 1 1 118 118 ARG N N 118 127.916 127.916 128.311 -0.395 18717 11474 1 20 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.411 0.201 18717 11475 1 20 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.464 0.329 18717 11476 1 20 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.229 0.912 18717 11477 1 20 . 1 1 118 118 ARG H H 118 8.952 8.952 8.660 0.292 18717 11478 1 20 . 1 1 119 119 CYS N N 119 126.785 126.785 128.345 -1.560 18717 11479 1 20 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.590 0.068 18717 11480 1 20 . 1 1 119 119 CYS CA C 119 56.448 56.448 58.776 -2.328 18717 11481 1 20 . 1 1 119 119 CYS CB C 119 28.192 28.192 28.228 -0.036 18717 11482 1 20 . 1 1 119 119 CYS H H 119 8.831 8.831 8.221 0.610 18717 11483 1 20 . 1 1 120 120 GLY N N 120 117.456 117.456 113.643 3.813 18717 11484 1 20 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.039 -0.527 18717 11485 1 20 . 1 1 120 120 GLY H H 120 8.873 8.873 8.334 0.539 18717 11486 1 20 . 1 1 122 122 LEU N N 122 121.777 121.777 118.496 3.281 18717 11487 1 20 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.522 -0.084 18717 11488 1 20 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.744 -0.135 18717 11489 1 20 . 1 1 122 122 LEU CB C 122 44.979 44.979 46.159 -1.180 18717 11490 1 20 . 1 1 122 122 LEU H H 122 7.270 7.270 7.694 -0.424 18717 11491 1 20 . 1 1 123 123 THR N N 123 118.668 118.668 115.141 3.527 18717 11492 1 20 . 1 1 123 123 THR HA H 123 4.407 4.407 4.634 -0.227 18717 11493 1 20 . 1 1 123 123 THR CA C 123 61.769 61.769 61.597 0.172 18717 11494 1 20 . 1 1 123 123 THR CB C 123 69.263 69.263 69.741 -0.478 18717 11495 1 20 . 1 1 123 123 THR H H 123 7.649 7.649 7.958 -0.309 18717 11496 1 20 . 1 1 124 124 PHE N N 124 125.265 125.265 123.875 1.390 18717 11497 1 20 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.716 -1.445 18717 11498 1 20 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.368 1.219 18717 11499 1 20 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.871 0.157 18717 11500 1 20 . 1 1 124 124 PHE H H 124 8.553 8.553 8.140 0.413 18717 11501 1 20 . 1 1 125 125 TYR N N 125 118.544 118.544 115.867 2.677 18717 11502 1 20 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.864 0.422 18717 11503 1 20 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.844 -1.094 18717 11504 1 20 . 1 1 125 125 TYR CB C 125 40.118 40.118 41.290 -1.172 18717 11505 1 20 . 1 1 125 125 TYR H H 125 8.616 8.616 8.248 0.368 18717 11506 1 20 . 1 1 126 126 TYR N N 126 115.848 115.848 118.126 -2.278 18717 11507 1 20 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.449 -0.189 18717 11508 1 20 . 1 1 126 126 TYR CA C 126 53.928 53.928 52.716 1.212 18717 11509 1 20 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.527 -1.585 18717 11510 1 20 . 1 1 126 126 TYR H H 126 8.357 8.357 7.679 0.678 18717 11511 1 20 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.498 0.124 18717 11512 1 20 . 1 1 127 127 PRO CA C 127 62.929 62.929 63.070 -0.141 18717 11513 1 20 . 1 1 128 128 GLY N N 128 108.039 108.039 111.465 -3.426 18717 11514 1 20 . 1 1 128 128 GLY CA C 128 44.707 44.707 46.009 -1.302 18717 11515 1 20 . 1 1 128 128 GLY H H 128 7.730 7.730 8.041 -0.311 18717 11516 1 20 . 1 1 129 129 SER N N 129 114.228 114.228 113.636 0.592 18717 11517 1 20 . 1 1 129 129 SER HA H 129 4.438 4.438 4.513 -0.075 18717 11518 1 20 . 1 1 129 129 SER CA C 129 57.566 57.566 58.462 -0.896 18717 11519 1 20 . 1 1 129 129 SER CB C 129 63.772 63.772 64.913 -1.141 18717 11520 1 20 . 1 1 129 129 SER H H 129 8.102 8.102 7.997 0.105 18717 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 115 2.809 -0.077 2.820 18717 2 1 1 "Average Difference" HA 124 0.329 0.155 0.291 18717 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18717 4 1 1 "Average Difference" CA 118 1.236 -0.016 1.241 18717 5 1 1 "Average Difference" CB 112 1.118 0.241 1.096 18717 6 1 1 "Average Difference" HN 115 0.570 -0.038 0.571 18717 7 1 2 "Average Difference" N 115 2.790 0.092 2.801 18717 8 1 2 "Average Difference" HA 124 0.342 0.151 0.308 18717 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18717 10 1 2 "Average Difference" CA 118 1.290 0.068 1.293 18717 11 1 2 "Average Difference" CB 112 1.072 0.200 1.058 18717 12 1 2 "Average Difference" HN 115 0.595 -0.000 0.598 18717 13 1 3 "Average Difference" N 115 2.747 0.102 2.757 18717 14 1 3 "Average Difference" HA 124 0.353 0.171 0.310 18717 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18717 16 1 3 "Average Difference" CA 118 1.225 0.023 1.230 18717 17 1 3 "Average Difference" CB 112 1.099 0.254 1.074 18717 18 1 3 "Average Difference" HN 115 0.606 -0.037 0.608 18717 19 1 4 "Average Difference" N 115 2.788 0.131 2.797 18717 20 1 4 "Average Difference" HA 124 0.352 0.168 0.310 18717 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18717 22 1 4 "Average Difference" CA 118 1.300 0.027 1.305 18717 23 1 4 "Average Difference" CB 112 1.131 0.301 1.095 18717 24 1 4 "Average Difference" HN 115 0.589 0.025 0.591 18717 25 1 5 "Average Difference" N 115 2.836 0.091 2.847 18717 26 1 5 "Average Difference" HA 124 0.347 0.175 0.301 18717 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18717 28 1 5 "Average Difference" CA 118 1.306 -0.051 1.311 18717 29 1 5 "Average Difference" CB 112 1.190 0.308 1.154 18717 30 1 5 "Average Difference" HN 115 0.598 0.009 0.600 18717 31 1 6 "Average Difference" N 115 2.753 0.209 2.757 18717 32 1 6 "Average Difference" HA 124 0.339 0.164 0.298 18717 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18717 34 1 6 "Average Difference" CA 118 1.279 0.059 1.283 18717 35 1 6 "Average Difference" CB 112 1.119 0.223 1.102 18717 36 1 6 "Average Difference" HN 115 0.584 -0.015 0.587 18717 37 1 7 "Average Difference" N 115 2.885 0.114 2.895 18717 38 1 7 "Average Difference" HA 124 0.337 0.161 0.297 18717 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18717 40 1 7 "Average Difference" CA 118 1.250 0.066 1.253 18717 41 1 7 "Average Difference" CB 112 1.118 0.262 1.092 18717 42 1 7 "Average Difference" HN 115 0.608 -0.009 0.611 18717 43 1 8 "Average Difference" N 115 2.910 0.132 2.919 18717 44 1 8 "Average Difference" HA 124 0.334 0.160 0.294 18717 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18717 46 1 8 "Average Difference" CA 118 1.231 0.079 1.234 18717 47 1 8 "Average Difference" CB 112 1.072 0.278 1.040 18717 48 1 8 "Average Difference" HN 115 0.574 -0.019 0.576 18717 49 1 9 "Average Difference" N 115 2.595 0.263 2.593 18717 50 1 9 "Average Difference" HA 124 0.360 0.147 0.330 18717 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18717 52 1 9 "Average Difference" CA 118 1.187 0.031 1.192 18717 53 1 9 "Average Difference" CB 112 1.143 0.309 1.106 18717 54 1 9 "Average Difference" HN 115 0.579 -0.013 0.581 18717 55 1 10 "Average Difference" N 115 2.902 0.062 2.914 18717 56 1 10 "Average Difference" HA 124 0.359 0.160 0.323 18717 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18717 58 1 10 "Average Difference" CA 118 1.256 0.030 1.261 18717 59 1 10 "Average Difference" CB 112 1.150 0.260 1.125 18717 60 1 10 "Average Difference" HN 115 0.573 -0.005 0.576 18717 61 1 11 "Average Difference" N 115 2.715 0.106 2.724 18717 62 1 11 "Average Difference" HA 124 0.372 0.169 0.333 18717 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18717 64 1 11 "Average Difference" CA 118 1.225 -0.044 1.229 18717 65 1 11 "Average Difference" CB 112 1.160 0.327 1.118 18717 66 1 11 "Average Difference" HN 115 0.571 -0.042 0.572 18717 67 1 12 "Average Difference" N 115 3.068 0.021 3.082 18717 68 1 12 "Average Difference" HA 124 0.331 0.170 0.284 18717 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18717 70 1 12 "Average Difference" CA 118 1.311 0.003 1.317 18717 71 1 12 "Average Difference" CB 112 1.157 0.235 1.138 18717 72 1 12 "Average Difference" HN 115 0.600 0.004 0.603 18717 73 1 13 "Average Difference" N 115 2.941 0.095 2.952 18717 74 1 13 "Average Difference" HA 124 0.348 0.159 0.310 18717 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18717 76 1 13 "Average Difference" CA 118 1.329 0.057 1.333 18717 77 1 13 "Average Difference" CB 112 1.188 0.265 1.164 18717 78 1 13 "Average Difference" HN 115 0.599 -0.001 0.602 18717 79 1 14 "Average Difference" N 115 2.811 0.118 2.821 18717 80 1 14 "Average Difference" HA 124 0.391 0.162 0.358 18717 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18717 82 1 14 "Average Difference" CA 118 1.281 0.014 1.286 18717 83 1 14 "Average Difference" CB 112 1.174 0.337 1.130 18717 84 1 14 "Average Difference" HN 115 0.595 0.006 0.597 18717 85 1 15 "Average Difference" N 115 2.806 0.284 2.804 18717 86 1 15 "Average Difference" HA 124 0.379 0.150 0.350 18717 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18717 88 1 15 "Average Difference" CA 118 1.300 0.061 1.304 18717 89 1 15 "Average Difference" CB 112 1.155 0.315 1.116 18717 90 1 15 "Average Difference" HN 115 0.586 0.011 0.588 18717 91 1 16 "Average Difference" N 115 2.831 -0.050 2.843 18717 92 1 16 "Average Difference" HA 124 0.351 0.178 0.304 18717 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18717 94 1 16 "Average Difference" CA 118 1.246 0.021 1.251 18717 95 1 16 "Average Difference" CB 112 1.092 0.251 1.067 18717 96 1 16 "Average Difference" HN 115 0.599 -0.006 0.602 18717 97 1 17 "Average Difference" N 115 2.950 0.014 2.963 18717 98 1 17 "Average Difference" HA 124 0.333 0.172 0.286 18717 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18717 100 1 17 "Average Difference" CA 118 1.070 0.091 1.071 18717 101 1 17 "Average Difference" CB 112 1.170 0.295 1.138 18717 102 1 17 "Average Difference" HN 115 0.596 -0.017 0.598 18717 103 1 18 "Average Difference" N 115 3.009 -0.051 3.022 18717 104 1 18 "Average Difference" HA 124 0.338 0.164 0.297 18717 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18717 106 1 18 "Average Difference" CA 118 1.358 0.007 1.364 18717 107 1 18 "Average Difference" CB 112 1.150 0.237 1.130 18717 108 1 18 "Average Difference" HN 115 0.600 -0.014 0.602 18717 109 1 19 "Average Difference" N 115 3.073 0.091 3.085 18717 110 1 19 "Average Difference" HA 124 0.354 0.159 0.317 18717 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18717 112 1 19 "Average Difference" CA 118 1.278 -0.001 1.283 18717 113 1 19 "Average Difference" CB 112 1.125 0.228 1.107 18717 114 1 19 "Average Difference" HN 115 0.584 -0.002 0.586 18717 115 1 20 "Average Difference" N 115 2.807 0.023 2.819 18717 116 1 20 "Average Difference" HA 124 0.374 0.173 0.333 18717 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18717 118 1 20 "Average Difference" CA 118 1.277 0.014 1.282 18717 119 1 20 "Average Difference" CB 112 1.101 0.291 1.066 18717 120 1 20 "Average Difference" HN 115 0.622 -0.004 0.624 18717 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 18717 _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 3 3 ASP N N 3 120.763 120.763 120.787 -0.024 18717 2 1 . 1 1 3 3 ASP HA H 3 4.487 4.487 4.761 -0.274 18717 3 1 . 1 1 3 3 ASP CA C 3 54.131 54.131 53.907 0.224 18717 4 1 . 1 1 3 3 ASP CB C 3 40.887 40.887 40.924 -0.037 18717 5 1 . 1 1 3 3 ASP H H 3 8.327 8.327 8.456 -0.129 18717 6 1 . 1 1 4 4 ILE N N 4 121.147 121.147 119.013 2.133 18717 7 1 . 1 1 4 4 ILE HA H 4 4.045 4.045 4.452 -0.407 18717 8 1 . 1 1 4 4 ILE CA C 4 60.723 60.723 59.131 1.592 18717 9 1 . 1 1 4 4 ILE CB C 4 38.460 38.460 39.829 -1.369 18717 10 1 . 1 1 4 4 ILE H H 4 7.971 7.971 7.942 0.029 18717 11 1 . 1 1 5 5 ARG N N 5 123.685 123.685 122.060 1.625 18717 12 1 . 1 1 5 5 ARG HA H 5 4.471 4.471 4.190 0.281 18717 13 1 . 1 1 5 5 ARG CA C 5 54.419 54.419 57.041 -2.622 18717 14 1 . 1 1 5 5 ARG CB C 5 30.142 30.142 30.532 -0.390 18717 15 1 . 1 1 5 5 ARG H H 5 8.067 8.067 8.413 -0.346 18717 16 1 . 1 1 6 6 ILE N N 6 124.881 124.881 118.415 6.466 18717 17 1 . 1 1 6 6 ILE HA H 6 3.783 3.783 4.307 -0.524 18717 18 1 . 1 1 6 6 ILE CA C 6 63.441 63.441 61.604 1.837 18717 19 1 . 1 1 6 6 ILE CB C 6 38.184 38.184 39.373 -1.189 18717 20 1 . 1 1 6 6 ILE H H 6 9.083 9.083 8.700 0.383 18717 21 1 . 1 1 7 7 VAL N N 7 120.527 120.527 114.860 5.667 18717 22 1 . 1 1 7 7 VAL HA H 7 4.091 4.091 4.555 -0.464 18717 23 1 . 1 1 7 7 VAL CA C 7 58.665 58.665 58.515 0.150 18717 24 1 . 1 1 7 7 VAL CB C 7 31.692 31.692 33.261 -1.569 18717 25 1 . 1 1 7 7 VAL H H 7 9.067 9.067 7.913 1.154 18717 26 1 . 1 1 9 9 GLN N N 9 120.479 120.479 118.414 2.065 18717 27 1 . 1 1 9 9 GLN HA H 9 3.860 3.860 4.262 -0.402 18717 28 1 . 1 1 9 9 GLN CA C 9 55.899 55.899 55.843 0.056 18717 29 1 . 1 1 9 9 GLN CB C 9 29.822 29.822 29.214 0.608 18717 30 1 . 1 1 9 9 GLN H H 9 8.305 8.305 8.336 -0.031 18717 31 1 . 1 1 10 10 ILE N N 10 125.746 125.746 117.354 8.392 18717 32 1 . 1 1 10 10 ILE HA H 10 4.050 4.050 4.537 -0.487 18717 33 1 . 1 1 10 10 ILE CA C 10 60.287 60.287 59.922 0.365 18717 34 1 . 1 1 10 10 ILE CB C 10 37.150 37.150 39.338 -2.188 18717 35 1 . 1 1 10 10 ILE H H 10 10.040 10.040 8.244 1.796 18717 36 1 . 1 1 11 11 THR HA H 11 4.459 4.459 4.495 -0.036 18717 37 1 . 1 1 11 11 THR CA C 11 60.124 60.124 60.368 -0.244 18717 38 1 . 1 1 11 11 THR CB C 11 71.036 71.036 70.004 1.032 18717 39 1 . 1 1 12 12 ASP N N 12 121.634 121.634 120.766 0.868 18717 40 1 . 1 1 12 12 ASP HA H 12 4.233 4.233 4.471 -0.238 18717 41 1 . 1 1 12 12 ASP CA C 12 57.791 57.791 57.506 0.285 18717 42 1 . 1 1 12 12 ASP CB C 12 40.845 40.845 40.551 0.294 18717 43 1 . 1 1 12 12 ASP H H 12 8.892 8.892 8.771 0.121 18717 44 1 . 1 1 13 13 GLU N N 13 117.207 117.207 117.690 -0.483 18717 45 1 . 1 1 13 13 GLU HA H 13 3.849 3.849 4.179 -0.330 18717 46 1 . 1 1 13 13 GLU CA C 13 59.683 59.683 58.569 1.115 18717 47 1 . 1 1 13 13 GLU CB C 13 29.155 29.155 29.550 -0.395 18717 48 1 . 1 1 13 13 GLU H H 13 8.421 8.421 8.640 -0.219 18717 49 1 . 1 1 14 14 GLU N N 14 118.579 118.579 117.568 1.012 18717 50 1 . 1 1 14 14 GLU HA H 14 3.977 3.977 4.376 -0.399 18717 51 1 . 1 1 14 14 GLU CA C 14 58.493 58.493 57.141 1.352 18717 52 1 . 1 1 14 14 GLU CB C 14 31.415 31.415 30.277 1.138 18717 53 1 . 1 1 14 14 GLU H H 14 7.647 7.647 7.839 -0.192 18717 54 1 . 1 1 15 15 PHE N N 15 122.867 122.867 122.047 0.820 18717 55 1 . 1 1 15 15 PHE HA H 15 3.845 3.845 4.340 -0.495 18717 56 1 . 1 1 15 15 PHE CA C 15 61.006 61.006 60.924 0.082 18717 57 1 . 1 1 15 15 PHE CB C 15 39.857 39.857 39.595 0.262 18717 58 1 . 1 1 15 15 PHE H H 15 8.823 8.823 8.823 0.000 18717 59 1 . 1 1 16 16 LYS N N 16 115.192 115.192 116.818 -1.626 18717 60 1 . 1 1 16 16 LYS HA H 16 3.963 3.963 4.046 -0.083 18717 61 1 . 1 1 16 16 LYS CA C 16 58.086 58.086 57.994 0.092 18717 62 1 . 1 1 16 16 LYS CB C 16 32.608 32.608 31.438 1.170 18717 63 1 . 1 1 16 16 LYS H H 16 7.742 7.742 7.851 -0.109 18717 64 1 . 1 1 17 17 THR N N 17 108.709 108.709 112.446 -3.737 18717 65 1 . 1 1 17 17 THR HA H 17 4.269 4.269 4.240 0.029 18717 66 1 . 1 1 17 17 THR CA C 17 61.767 61.767 63.209 -1.442 18717 67 1 . 1 1 17 17 THR CB C 17 69.956 69.956 69.280 0.676 18717 68 1 . 1 1 17 17 THR H H 17 7.518 7.518 7.614 -0.096 18717 69 1 . 1 1 18 18 ILE N N 18 124.707 124.707 122.719 1.988 18717 70 1 . 1 1 18 18 ILE HA H 18 3.612 3.612 4.365 -0.753 18717 71 1 . 1 1 18 18 ILE CA C 18 59.401 59.401 57.746 1.655 18717 72 1 . 1 1 18 18 ILE CB C 18 38.283 38.283 39.000 -0.717 18717 73 1 . 1 1 18 18 ILE H H 18 7.063 7.063 7.238 -0.175 18717 74 1 . 1 1 20 20 LYS N N 20 124.646 124.646 120.766 3.880 18717 75 1 . 1 1 20 20 LYS HA H 20 3.709 3.709 3.922 -0.213 18717 76 1 . 1 1 20 20 LYS CA C 20 59.180 59.180 58.994 0.186 18717 77 1 . 1 1 20 20 LYS CB C 20 31.439 31.439 31.524 -0.085 18717 78 1 . 1 1 20 20 LYS H H 20 8.639 8.639 8.682 -0.043 18717 79 1 . 1 1 21 21 TYR N N 21 115.093 115.093 117.648 -2.555 18717 80 1 . 1 1 21 21 TYR HA H 21 4.314 4.314 4.295 0.019 18717 81 1 . 1 1 21 21 TYR CA C 21 58.914 58.914 59.977 -1.063 18717 82 1 . 1 1 21 21 TYR CB C 21 36.177 36.177 37.560 -1.383 18717 83 1 . 1 1 21 21 TYR H H 21 7.897 7.897 7.992 -0.095 18717 84 1 . 1 1 22 22 GLN N N 22 119.745 119.745 116.472 3.273 18717 85 1 . 1 1 22 22 GLN HA H 22 3.926 3.926 4.344 -0.418 18717 86 1 . 1 1 22 22 GLN CA C 22 56.606 56.606 56.451 0.155 18717 87 1 . 1 1 22 22 GLN CB C 22 29.465 29.465 30.021 -0.556 18717 88 1 . 1 1 22 22 GLN H H 22 6.759 6.759 7.950 -1.191 18717 89 1 . 1 1 23 23 LEU N N 23 118.619 118.619 118.400 0.219 18717 90 1 . 1 1 23 23 LEU HA H 23 3.852 3.852 4.058 -0.206 18717 91 1 . 1 1 23 23 LEU CA C 23 56.569 56.569 56.698 -0.129 18717 92 1 . 1 1 23 23 LEU CB C 23 43.590 43.590 42.398 1.192 18717 93 1 . 1 1 23 23 LEU H H 23 7.115 7.115 7.689 -0.574 18717 94 1 . 1 1 24 24 GLY N N 24 103.606 103.606 106.770 -3.164 18717 95 1 . 1 1 24 24 GLY CA C 24 46.923 46.923 46.173 0.750 18717 96 1 . 1 1 24 24 GLY H H 24 7.541 7.541 8.110 -0.569 18717 97 1 . 1 1 25 25 ARG N N 25 126.033 126.033 121.182 4.851 18717 98 1 . 1 1 25 25 ARG HA H 25 4.280 4.280 4.393 -0.113 18717 99 1 . 1 1 25 25 ARG CA C 25 55.373 55.373 55.722 -0.349 18717 100 1 . 1 1 25 25 ARG CB C 25 29.946 29.946 30.403 -0.457 18717 101 1 . 1 1 25 25 ARG H H 25 8.850 8.850 8.266 0.584 18717 102 1 . 1 1 26 26 LEU N N 26 121.287 121.287 119.950 1.337 18717 103 1 . 1 1 26 26 LEU HA H 26 4.258 4.258 4.474 -0.216 18717 104 1 . 1 1 26 26 LEU CA C 26 56.596 56.596 54.781 1.815 18717 105 1 . 1 1 26 26 LEU CB C 26 42.745 42.745 43.789 -1.044 18717 106 1 . 1 1 26 26 LEU H H 26 8.017 8.017 7.566 0.451 18717 107 1 . 1 1 27 27 THR N N 27 110.943 110.943 111.271 -0.328 18717 108 1 . 1 1 27 27 THR HA H 27 4.626 4.626 4.531 0.095 18717 109 1 . 1 1 27 27 THR CA C 27 58.272 58.272 60.405 -2.133 18717 110 1 . 1 1 27 27 THR H H 27 7.129 7.129 7.891 -0.762 18717 111 1 . 1 1 28 28 LEU N N 28 124.601 124.601 123.113 1.488 18717 112 1 . 1 1 28 28 LEU HA H 28 3.227 3.227 3.523 -0.296 18717 113 1 . 1 1 28 28 LEU CA C 28 57.834 57.834 58.990 -1.156 18717 114 1 . 1 1 28 28 LEU CB C 28 39.912 39.912 41.669 -1.757 18717 115 1 . 1 1 28 28 LEU H H 28 8.404 8.404 8.094 0.310 18717 116 1 . 1 1 29 29 GLU N N 29 117.021 117.021 118.584 -1.563 18717 117 1 . 1 1 29 29 GLU HA H 29 3.886 3.886 3.921 -0.035 18717 118 1 . 1 1 29 29 GLU CA C 29 59.967 59.967 59.572 0.396 18717 119 1 . 1 1 29 29 GLU CB C 29 28.813 28.813 29.189 -0.376 18717 120 1 . 1 1 29 29 GLU H H 29 8.361 8.361 8.637 -0.276 18717 121 1 . 1 1 30 30 MET N N 30 119.159 119.159 117.958 1.201 18717 122 1 . 1 1 30 30 MET HA H 30 3.999 3.999 4.338 -0.339 18717 123 1 . 1 1 30 30 MET CA C 30 58.946 58.946 58.438 0.508 18717 124 1 . 1 1 30 30 MET CB C 30 31.941 31.941 32.522 -0.581 18717 125 1 . 1 1 30 30 MET H H 30 7.541 7.541 7.479 0.062 18717 126 1 . 1 1 31 31 MET N N 31 117.316 117.316 117.890 -0.574 18717 127 1 . 1 1 31 31 MET HA H 31 3.833 3.833 4.011 -0.178 18717 128 1 . 1 1 31 31 MET CA C 31 58.966 58.966 59.256 -0.290 18717 129 1 . 1 1 31 31 MET CB C 31 32.253 32.253 32.267 -0.014 18717 130 1 . 1 1 31 31 MET H H 31 8.310 8.310 8.125 0.185 18717 131 1 . 1 1 32 32 ASN N N 32 116.639 116.639 119.215 -2.576 18717 132 1 . 1 1 32 32 ASN HA H 32 4.958 4.958 4.385 0.573 18717 133 1 . 1 1 32 32 ASN CA C 32 54.275 54.275 56.967 -2.692 18717 134 1 . 1 1 32 32 ASN CB C 32 36.915 36.915 38.599 -1.683 18717 135 1 . 1 1 32 32 ASN H H 32 8.728 8.728 8.607 0.121 18717 136 1 . 1 1 33 33 GLU N N 33 125.338 125.338 119.027 6.311 18717 137 1 . 1 1 33 33 GLU HA H 33 4.186 4.186 4.157 0.029 18717 138 1 . 1 1 33 33 GLU CA C 33 59.511 59.511 58.703 0.808 18717 139 1 . 1 1 33 33 GLU CB C 33 29.228 29.228 29.415 -0.187 18717 140 1 . 1 1 33 33 GLU H H 33 7.918 7.918 7.916 0.002 18717 141 1 . 1 1 34 34 ILE N N 34 119.962 119.962 121.589 -1.627 18717 142 1 . 1 1 34 34 ILE HA H 34 3.471 3.471 3.637 -0.166 18717 143 1 . 1 1 34 34 ILE CA C 34 65.794 65.794 65.197 0.597 18717 144 1 . 1 1 34 34 ILE CB C 34 37.922 37.922 37.915 0.007 18717 145 1 . 1 1 34 34 ILE H H 34 7.576 7.576 7.450 0.126 18717 146 1 . 1 1 35 35 VAL N N 35 119.021 119.021 118.317 0.704 18717 147 1 . 1 1 35 35 VAL HA H 35 3.575 3.575 3.743 -0.168 18717 148 1 . 1 1 35 35 VAL CA C 35 66.145 66.145 65.923 0.222 18717 149 1 . 1 1 35 35 VAL CB C 35 31.499 31.499 31.122 0.377 18717 150 1 . 1 1 35 35 VAL H H 35 8.657 8.657 8.445 0.212 18717 151 1 . 1 1 36 36 SER N N 36 114.977 114.977 116.197 -1.220 18717 152 1 . 1 1 36 36 SER HA H 36 4.171 4.171 4.248 -0.077 18717 153 1 . 1 1 36 36 SER CA C 36 61.604 61.604 61.555 0.050 18717 154 1 . 1 1 36 36 SER CB C 36 62.415 62.415 63.107 -0.692 18717 155 1 . 1 1 36 36 SER H H 36 8.175 8.175 7.807 0.368 18717 156 1 . 1 1 37 37 LYS N N 37 119.000 119.000 121.991 -2.991 18717 157 1 . 1 1 37 37 LYS HA H 37 4.177 4.177 4.057 0.120 18717 158 1 . 1 1 37 37 LYS CA C 37 57.155 57.155 58.743 -1.588 18717 159 1 . 1 1 37 37 LYS CB C 37 30.380 30.380 32.210 -1.830 18717 160 1 . 1 1 37 37 LYS H H 37 7.283 7.283 7.916 -0.633 18717 161 1 . 1 1 38 38 MET N N 38 119.061 119.061 117.524 1.537 18717 162 1 . 1 1 38 38 MET HA H 38 3.430 3.430 3.880 -0.450 18717 163 1 . 1 1 38 38 MET CA C 38 59.676 59.676 59.467 0.209 18717 164 1 . 1 1 38 38 MET CB C 38 31.961 31.961 32.248 -0.287 18717 165 1 . 1 1 38 38 MET H H 38 7.740 7.740 7.951 -0.211 18717 166 1 . 1 1 39 39 ASP N N 39 118.445 118.445 118.785 -0.340 18717 167 1 . 1 1 39 39 ASP HA H 39 4.090 4.090 4.445 -0.355 18717 168 1 . 1 1 39 39 ASP CA C 39 58.773 58.773 57.261 1.512 18717 169 1 . 1 1 39 39 ASP CB C 39 43.142 43.142 40.598 2.545 18717 170 1 . 1 1 39 39 ASP H H 39 8.603 8.603 8.006 0.597 18717 171 1 . 1 1 40 40 ASP N N 40 117.427 117.427 120.551 -3.124 18717 172 1 . 1 1 40 40 ASP HA H 40 4.189 4.189 4.391 -0.202 18717 173 1 . 1 1 40 40 ASP CA C 40 57.327 57.327 57.290 0.037 18717 174 1 . 1 1 40 40 ASP CB C 40 41.041 41.041 40.789 0.252 18717 175 1 . 1 1 40 40 ASP H H 40 8.397 8.397 7.618 0.779 18717 176 1 . 1 1 41 41 PHE N N 41 119.507 119.507 120.291 -0.784 18717 177 1 . 1 1 41 41 PHE HA H 41 3.971 3.971 4.216 -0.245 18717 178 1 . 1 1 41 41 PHE CA C 41 62.162 62.162 60.220 1.942 18717 179 1 . 1 1 41 41 PHE CB C 41 39.498 39.498 38.970 0.528 18717 180 1 . 1 1 41 41 PHE H H 41 8.248 8.248 7.885 0.363 18717 181 1 . 1 1 42 42 LEU N N 42 118.072 118.072 120.093 -2.021 18717 182 1 . 1 1 42 42 LEU HA H 42 3.725 3.725 4.000 -0.275 18717 183 1 . 1 1 42 42 LEU CA C 42 57.168 57.168 57.522 -0.354 18717 184 1 . 1 1 42 42 LEU CB C 42 41.649 41.649 41.256 0.393 18717 185 1 . 1 1 42 42 LEU H H 42 8.203 8.203 8.230 -0.027 18717 186 1 . 1 1 43 43 MET N N 43 121.878 121.878 119.112 2.766 18717 187 1 . 1 1 43 43 MET HA H 43 4.063 4.063 4.184 -0.121 18717 188 1 . 1 1 43 43 MET CA C 43 57.664 57.664 58.490 -0.826 18717 189 1 . 1 1 43 43 MET CB C 43 30.833 30.833 32.473 -1.640 18717 190 1 . 1 1 43 43 MET H H 43 9.073 9.073 8.238 0.835 18717 191 1 . 1 1 44 44 LYS N N 44 122.276 122.276 118.883 3.392 18717 192 1 . 1 1 44 44 LYS HA H 44 3.865 3.865 4.046 -0.181 18717 193 1 . 1 1 44 44 LYS CA C 44 59.484 59.484 59.331 0.153 18717 194 1 . 1 1 44 44 LYS CB C 44 31.525 31.525 32.099 -0.574 18717 195 1 . 1 1 44 44 LYS H H 44 7.678 7.678 7.876 -0.198 18717 196 1 . 1 1 46 46 SER N N 46 113.504 113.504 113.438 0.066 18717 197 1 . 1 1 46 46 SER HA H 46 3.744 3.744 4.134 -0.390 18717 198 1 . 1 1 46 46 SER CA C 46 61.358 61.358 61.178 0.180 18717 199 1 . 1 1 46 46 SER CB C 46 62.674 62.674 63.030 -0.356 18717 200 1 . 1 1 46 46 SER H H 46 8.467 8.467 7.966 0.501 18717 201 1 . 1 1 47 47 LYS N N 47 120.235 120.235 120.880 -0.645 18717 202 1 . 1 1 47 47 LYS HA H 47 3.955 3.955 4.266 -0.311 18717 203 1 . 1 1 47 47 LYS CA C 47 58.814 58.814 58.361 0.453 18717 204 1 . 1 1 47 47 LYS CB C 47 32.013 32.013 31.861 0.152 18717 205 1 . 1 1 47 47 LYS H H 47 7.659 7.659 7.480 0.179 18717 206 1 . 1 1 48 48 ILE N N 48 120.699 120.699 118.888 1.811 18717 207 1 . 1 1 48 48 ILE HA H 48 3.465 3.465 3.907 -0.442 18717 208 1 . 1 1 48 48 ILE CA C 48 66.092 66.092 63.811 2.281 18717 209 1 . 1 1 48 48 ILE CB C 48 37.947 37.947 38.491 -0.544 18717 210 1 . 1 1 48 48 ILE H H 48 7.803 7.803 7.363 0.440 18717 211 1 . 1 1 49 49 LEU N N 49 118.686 118.686 118.532 0.154 18717 212 1 . 1 1 49 49 LEU HA H 49 4.065 4.065 4.097 -0.032 18717 213 1 . 1 1 49 49 LEU CA C 49 57.114 57.114 56.565 0.549 18717 214 1 . 1 1 49 49 LEU CB C 49 41.593 41.593 41.623 -0.030 18717 215 1 . 1 1 49 49 LEU H H 49 8.671 8.671 7.588 1.083 18717 216 1 . 1 1 50 50 GLY N N 50 103.264 103.264 105.459 -2.195 18717 217 1 . 1 1 50 50 GLY CA C 50 44.546 44.546 44.848 -0.302 18717 218 1 . 1 1 50 50 GLY H H 50 7.422 7.422 7.673 -0.252 18717 219 1 . 1 1 51 51 LYS N N 51 121.616 121.616 120.794 0.822 18717 220 1 . 1 1 51 51 LYS HA H 51 4.270 4.270 4.306 -0.036 18717 221 1 . 1 1 51 51 LYS CA C 51 57.328 57.328 56.662 0.666 18717 222 1 . 1 1 51 51 LYS CB C 51 34.176 34.176 32.852 1.324 18717 223 1 . 1 1 51 51 LYS H H 51 7.227 7.227 7.589 -0.362 18717 224 1 . 1 1 52 52 THR N N 52 112.472 112.472 112.362 0.110 18717 225 1 . 1 1 52 52 THR HA H 52 4.363 4.363 4.586 -0.223 18717 226 1 . 1 1 52 52 THR CA C 52 60.280 60.280 60.049 0.231 18717 227 1 . 1 1 52 52 THR CB C 52 69.989 69.989 71.073 -1.084 18717 228 1 . 1 1 52 52 THR H H 52 8.298 8.298 7.900 0.398 18717 229 1 . 1 1 53 53 ASN N N 53 118.660 118.660 119.209 -0.549 18717 230 1 . 1 1 53 53 ASN HA H 53 4.263 4.263 4.490 -0.227 18717 231 1 . 1 1 53 53 ASN CA C 53 56.566 56.566 55.429 1.137 18717 232 1 . 1 1 53 53 ASN CB C 53 38.190 38.190 38.108 0.082 18717 233 1 . 1 1 53 53 ASN H H 53 8.739 8.739 8.785 -0.046 18717 234 1 . 1 1 54 54 LYS N N 54 116.241 116.241 117.963 -1.722 18717 235 1 . 1 1 54 54 LYS HA H 54 4.084 4.084 4.153 -0.069 18717 236 1 . 1 1 54 54 LYS CA C 54 57.551 57.551 57.946 -0.395 18717 237 1 . 1 1 54 54 LYS CB C 54 32.378 32.378 32.400 -0.022 18717 238 1 . 1 1 54 54 LYS H H 54 7.949 7.949 7.808 0.141 18717 239 1 . 1 1 55 55 GLN N N 55 116.389 116.389 117.011 -0.622 18717 240 1 . 1 1 55 55 GLN HA H 55 4.183 4.183 4.304 -0.121 18717 241 1 . 1 1 55 55 GLN CA C 55 55.621 55.621 55.879 -0.258 18717 242 1 . 1 1 55 55 GLN CB C 55 30.523 30.523 29.859 0.664 18717 243 1 . 1 1 55 55 GLN H H 55 7.492 7.492 7.691 -0.199 18717 244 1 . 1 1 56 56 LEU N N 56 120.014 120.014 121.960 -1.946 18717 245 1 . 1 1 56 56 LEU HA H 56 4.447 4.447 4.234 0.213 18717 246 1 . 1 1 56 56 LEU CA C 56 55.325 55.325 55.699 -0.374 18717 247 1 . 1 1 56 56 LEU CB C 56 43.024 43.024 42.425 0.599 18717 248 1 . 1 1 56 56 LEU H H 56 7.137 7.137 8.000 -0.863 18717 249 1 . 1 1 57 57 THR N N 57 115.673 115.673 117.412 -1.739 18717 250 1 . 1 1 57 57 THR HA H 57 4.491 4.491 4.658 -0.167 18717 251 1 . 1 1 57 57 THR CA C 57 59.638 59.638 60.025 -0.387 18717 252 1 . 1 1 57 57 THR CB C 57 71.233 71.233 71.090 0.143 18717 253 1 . 1 1 57 57 THR H H 57 8.986 8.986 8.121 0.865 18717 254 1 . 1 1 58 58 ARG N N 58 121.180 121.180 120.875 0.305 18717 255 1 . 1 1 58 58 ARG HA H 58 3.877 3.877 4.022 -0.145 18717 256 1 . 1 1 58 58 ARG CA C 58 59.817 59.817 59.801 0.016 18717 257 1 . 1 1 58 58 ARG CB C 58 29.331 29.331 29.894 -0.563 18717 258 1 . 1 1 58 58 ARG H H 58 8.783 8.783 8.798 -0.015 18717 259 1 . 1 1 59 59 SER N N 59 113.863 113.863 113.946 -0.083 18717 260 1 . 1 1 59 59 SER HA H 59 4.116 4.116 4.238 -0.122 18717 261 1 . 1 1 59 59 SER CA C 59 60.988 60.988 61.461 -0.473 18717 262 1 . 1 1 59 59 SER CB C 59 62.156 62.156 62.653 -0.497 18717 263 1 . 1 1 59 59 SER H H 59 8.198 8.198 8.321 -0.123 18717 264 1 . 1 1 60 60 ASP N N 60 122.780 122.780 121.205 1.576 18717 265 1 . 1 1 60 60 ASP HA H 60 4.052 4.052 4.532 -0.480 18717 266 1 . 1 1 60 60 ASP CA C 60 56.538 56.538 56.624 -0.086 18717 267 1 . 1 1 60 60 ASP CB C 60 41.978 41.978 40.714 1.264 18717 268 1 . 1 1 60 60 ASP H H 60 7.623 7.623 7.883 -0.260 18717 269 1 . 1 1 61 61 ARG N N 61 117.219 117.219 119.936 -2.717 18717 270 1 . 1 1 61 61 ARG HA H 61 3.719 3.719 4.126 -0.407 18717 271 1 . 1 1 61 61 ARG CA C 61 59.537 59.537 59.407 0.130 18717 272 1 . 1 1 61 61 ARG CB C 61 29.604 29.604 30.553 -0.949 18717 273 1 . 1 1 61 61 ARG H H 61 7.966 7.966 7.811 0.155 18717 274 1 . 1 1 62 62 GLU N N 62 118.341 118.341 120.082 -1.741 18717 275 1 . 1 1 62 62 GLU HA H 62 3.942 3.942 4.091 -0.149 18717 276 1 . 1 1 62 62 GLU CA C 62 59.036 59.036 59.460 -0.424 18717 277 1 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.205 0.278 18717 278 1 . 1 1 62 62 GLU H H 62 7.556 7.556 8.422 -0.866 18717 279 1 . 1 1 63 63 VAL N N 63 116.650 116.650 116.970 -0.320 18717 280 1 . 1 1 63 63 VAL HA H 63 3.581 3.581 3.671 -0.090 18717 281 1 . 1 1 63 63 VAL CA C 63 64.617 64.617 65.196 -0.579 18717 282 1 . 1 1 63 63 VAL CB C 63 30.281 30.281 31.126 -0.845 18717 283 1 . 1 1 63 63 VAL H H 63 7.398 7.398 7.615 -0.217 18717 284 1 . 1 1 64 64 LEU N N 64 121.502 121.502 121.499 0.003 18717 285 1 . 1 1 64 64 LEU HA H 64 3.708 3.708 4.213 -0.505 18717 286 1 . 1 1 64 64 LEU CA C 64 57.867 57.867 58.442 -0.575 18717 287 1 . 1 1 64 64 LEU CB C 64 41.936 41.936 41.118 0.818 18717 288 1 . 1 1 64 64 LEU H H 64 7.889 7.889 7.882 0.007 18717 289 1 . 1 1 65 65 ASP N N 65 119.200 119.200 118.693 0.507 18717 290 1 . 1 1 65 65 ASP HA H 65 4.392 4.392 4.386 0.006 18717 291 1 . 1 1 65 65 ASP CA C 65 57.262 57.262 57.726 -0.464 18717 292 1 . 1 1 65 65 ASP CB C 65 39.725 39.725 40.822 -1.097 18717 293 1 . 1 1 65 65 ASP H H 65 7.846 7.846 8.046 -0.200 18717 294 1 . 1 1 66 66 ASN N N 66 120.252 120.252 119.175 1.077 18717 295 1 . 1 1 66 66 ASN HA H 66 4.503 4.503 4.578 -0.075 18717 296 1 . 1 1 66 66 ASN CA C 66 56.090 56.090 55.937 0.153 18717 297 1 . 1 1 66 66 ASN CB C 66 38.019 38.019 38.818 -0.799 18717 298 1 . 1 1 66 66 ASN H H 66 7.480 7.480 7.727 -0.247 18717 299 1 . 1 1 67 67 TRP N N 67 122.830 122.830 121.682 1.148 18717 300 1 . 1 1 67 67 TRP HA H 67 4.499 4.499 4.456 0.043 18717 301 1 . 1 1 67 67 TRP CA C 67 58.287 58.287 60.822 -2.535 18717 302 1 . 1 1 67 67 TRP CB C 67 28.064 28.064 29.106 -1.042 18717 303 1 . 1 1 67 67 TRP H H 67 8.730 8.730 8.587 0.143 18717 304 1 . 1 1 68 68 ARG N N 68 120.279 120.279 118.229 2.050 18717 305 1 . 1 1 68 68 ARG HA H 68 4.843 4.843 3.914 0.929 18717 306 1 . 1 1 68 68 ARG CA C 68 58.177 58.177 58.637 -0.460 18717 307 1 . 1 1 68 68 ARG CB C 68 28.306 28.306 29.530 -1.223 18717 308 1 . 1 1 68 68 ARG H H 68 7.976 7.976 7.992 -0.016 18717 309 1 . 1 1 69 69 GLU N N 69 121.656 121.656 120.864 0.792 18717 310 1 . 1 1 69 69 GLU HA H 69 4.282 4.282 4.190 0.092 18717 311 1 . 1 1 69 69 GLU CA C 69 59.305 59.305 58.967 0.338 18717 312 1 . 1 1 69 69 GLU CB C 69 29.982 29.982 29.286 0.696 18717 313 1 . 1 1 69 69 GLU H H 69 8.676 8.676 7.714 0.962 18717 314 1 . 1 1 70 70 LEU N N 70 120.066 120.066 118.261 1.805 18717 315 1 . 1 1 70 70 LEU HA H 70 4.135 4.135 4.276 -0.141 18717 316 1 . 1 1 70 70 LEU CA C 70 58.001 58.001 58.022 -0.021 18717 317 1 . 1 1 70 70 LEU CB C 70 42.370 42.370 41.694 0.676 18717 318 1 . 1 1 70 70 LEU H H 70 7.963 7.963 7.975 -0.012 18717 319 1 . 1 1 71 71 GLU N N 71 118.326 118.326 119.588 -1.262 18717 320 1 . 1 1 71 71 GLU HA H 71 3.565 3.565 4.148 -0.583 18717 321 1 . 1 1 71 71 GLU CA C 71 59.318 59.318 59.178 0.140 18717 322 1 . 1 1 71 71 GLU CB C 71 30.170 30.170 29.831 0.339 18717 323 1 . 1 1 71 71 GLU H H 71 8.278 8.278 8.026 0.252 18717 324 1 . 1 1 72 72 MET N N 72 117.881 117.881 114.749 3.132 18717 325 1 . 1 1 72 72 MET HA H 72 4.163 4.163 4.573 -0.410 18717 326 1 . 1 1 72 72 MET CA C 72 57.906 57.906 57.632 0.274 18717 327 1 . 1 1 72 72 MET CB C 72 32.006 32.006 33.189 -1.183 18717 328 1 . 1 1 72 72 MET H H 72 7.966 7.966 7.629 0.337 18717 329 1 . 1 1 73 73 LYS N N 73 119.844 119.844 119.235 0.609 18717 330 1 . 1 1 73 73 LYS HA H 73 4.057 4.057 4.275 -0.218 18717 331 1 . 1 1 73 73 LYS CA C 73 58.117 58.117 57.630 0.487 18717 332 1 . 1 1 73 73 LYS CB C 73 32.393 32.393 32.363 0.030 18717 333 1 . 1 1 73 73 LYS H H 73 7.959 7.959 7.731 0.228 18717 334 1 . 1 1 74 74 ALA N N 74 120.588 120.588 120.437 0.151 18717 335 1 . 1 1 74 74 ALA HA H 74 4.017 4.017 4.335 -0.318 18717 336 1 . 1 1 74 74 ALA CA C 74 53.110 53.110 52.239 0.871 18717 337 1 . 1 1 74 74 ALA CB C 74 18.496 18.496 19.081 -0.585 18717 338 1 . 1 1 74 74 ALA H H 74 7.504 7.504 7.520 -0.016 18717 339 1 . 1 1 75 75 ARG N N 75 111.895 111.895 115.988 -4.093 18717 340 1 . 1 1 75 75 ARG HA H 75 3.805 3.805 3.939 -0.134 18717 341 1 . 1 1 75 75 ARG CA C 75 57.373 57.373 57.163 0.210 18717 342 1 . 1 1 75 75 ARG CB C 75 27.396 27.396 27.812 -0.416 18717 343 1 . 1 1 75 75 ARG H H 75 7.550 7.550 7.820 -0.270 18717 344 1 . 1 1 76 76 LYS N N 76 114.585 114.585 117.698 -3.113 18717 345 1 . 1 1 76 76 LYS HA H 76 4.114 4.114 4.315 -0.202 18717 346 1 . 1 1 76 76 LYS CA C 76 55.502 55.502 55.801 -0.299 18717 347 1 . 1 1 76 76 LYS CB C 76 32.276 32.276 34.855 -2.579 18717 348 1 . 1 1 76 76 LYS H H 76 7.810 7.810 7.968 -0.158 18717 349 1 . 1 1 77 77 ARG N N 77 119.199 119.199 123.330 -4.131 18717 350 1 . 1 1 77 77 ARG HA H 77 4.048 4.048 4.392 -0.344 18717 351 1 . 1 1 77 77 ARG CA C 77 55.690 55.690 55.333 0.357 18717 352 1 . 1 1 77 77 ARG CB C 77 30.476 30.476 29.605 0.871 18717 353 1 . 1 1 77 77 ARG H H 77 7.916 7.916 8.449 -0.533 18717 354 1 . 1 1 78 78 LEU HA H 78 4.163 4.163 4.163 0.000 18717 355 1 . 1 1 80 80 THR N N 80 110.230 110.230 113.407 -3.177 18717 356 1 . 1 1 80 80 THR HA H 80 4.526 4.526 4.350 0.176 18717 357 1 . 1 1 80 80 THR CA C 80 58.081 58.081 61.242 -3.161 18717 358 1 . 1 1 80 80 THR CB C 80 67.980 67.980 69.872 -1.892 18717 359 1 . 1 1 80 80 THR H H 80 6.530 6.530 7.641 -1.111 18717 360 1 . 1 1 81 81 THR N N 81 114.552 114.552 116.098 -1.546 18717 361 1 . 1 1 81 81 THR HA H 81 4.260 4.260 4.037 0.222 18717 362 1 . 1 1 81 81 THR CA C 81 61.767 61.767 62.616 -0.849 18717 363 1 . 1 1 81 81 THR CB C 81 68.383 68.383 69.419 -1.036 18717 364 1 . 1 1 81 81 THR H H 81 7.674 7.674 8.245 -0.572 18717 365 1 . 1 1 82 82 LEU N N 82 127.155 127.155 124.348 2.807 18717 366 1 . 1 1 82 82 LEU HA H 82 3.992 3.992 4.318 -0.326 18717 367 1 . 1 1 82 82 LEU CA C 82 52.714 52.714 54.019 -1.305 18717 368 1 . 1 1 82 82 LEU CB C 82 39.378 39.378 40.883 -1.505 18717 369 1 . 1 1 82 82 LEU H H 82 8.465 8.465 7.536 0.929 18717 370 1 . 1 1 83 83 PHE N N 83 113.552 113.552 117.120 -3.568 18717 371 1 . 1 1 83 83 PHE HA H 83 5.922 5.922 5.639 0.283 18717 372 1 . 1 1 83 83 PHE CA C 83 53.664 53.664 54.015 -0.351 18717 373 1 . 1 1 83 83 PHE CB C 83 43.049 43.049 41.910 1.139 18717 374 1 . 1 1 83 83 PHE H H 83 6.370 6.370 7.107 -0.737 18717 375 1 . 1 1 84 84 PHE N N 84 116.628 116.628 115.820 0.808 18717 376 1 . 1 1 84 84 PHE HA H 84 5.275 5.275 5.258 0.017 18717 377 1 . 1 1 84 84 PHE CA C 84 55.351 55.351 56.184 -0.834 18717 378 1 . 1 1 84 84 PHE CB C 84 42.823 42.823 42.055 0.768 18717 379 1 . 1 1 84 84 PHE H H 84 9.579 9.579 8.094 1.485 18717 380 1 . 1 1 85 85 ILE N N 85 113.827 113.827 115.024 -1.197 18717 381 1 . 1 1 85 85 ILE HA H 85 5.142 5.142 5.181 -0.039 18717 382 1 . 1 1 85 85 ILE CA C 85 59.286 59.286 59.334 -0.048 18717 383 1 . 1 1 85 85 ILE CB C 85 41.287 41.287 41.239 0.048 18717 384 1 . 1 1 85 85 ILE H H 85 9.410 9.410 8.514 0.896 18717 385 1 . 1 1 86 86 GLU N N 86 124.724 124.724 124.746 -0.022 18717 386 1 . 1 1 86 86 GLU HA H 86 3.625 3.625 3.958 -0.333 18717 387 1 . 1 1 86 86 GLU CA C 86 60.716 60.716 60.256 0.460 18717 388 1 . 1 1 86 86 GLU CB C 86 29.010 29.010 29.575 -0.565 18717 389 1 . 1 1 86 86 GLU H H 86 9.957 9.957 8.726 1.231 18717 390 1 . 1 1 87 87 THR N N 87 106.336 106.336 111.095 -4.759 18717 391 1 . 1 1 87 87 THR HA H 87 3.695 3.695 4.160 -0.465 18717 392 1 . 1 1 87 87 THR CA C 87 63.680 63.680 64.581 -0.901 18717 393 1 . 1 1 87 87 THR CB C 87 67.530 67.530 68.233 -0.703 18717 394 1 . 1 1 87 87 THR H H 87 7.659 7.659 8.168 -0.509 18717 395 1 . 1 1 88 88 ASP N N 88 119.814 119.814 119.956 -0.142 18717 396 1 . 1 1 88 88 ASP HA H 88 4.214 4.214 4.741 -0.527 18717 397 1 . 1 1 88 88 ASP CA C 88 56.498 56.498 55.072 1.426 18717 398 1 . 1 1 88 88 ASP CB C 88 41.081 41.081 42.062 -0.981 18717 399 1 . 1 1 88 88 ASP H H 88 7.605 7.605 8.151 -0.546 18717 400 1 . 1 1 89 89 ILE N N 89 113.246 113.246 118.533 -5.287 18717 401 1 . 1 1 89 89 ILE HA H 89 3.814 3.814 4.239 -0.425 18717 402 1 . 1 1 89 89 ILE CA C 89 58.507 58.507 61.368 -2.861 18717 403 1 . 1 1 89 89 ILE CB C 89 36.800 36.800 38.988 -2.188 18717 404 1 . 1 1 89 89 ILE H H 89 6.538 6.538 7.306 -0.768 18717 405 1 . 1 1 90 90 ARG N N 90 119.499 119.499 122.938 -3.439 18717 406 1 . 1 1 90 90 ARG HA H 90 3.616 3.616 4.160 -0.544 18717 407 1 . 1 1 90 90 ARG CA C 90 62.065 62.065 61.134 0.931 18717 408 1 . 1 1 90 90 ARG CB C 90 28.893 28.893 28.501 0.392 18717 409 1 . 1 1 90 90 ARG H H 90 7.721 7.721 8.483 -0.762 18717 410 1 . 1 1 92 92 MET N N 92 113.492 113.492 116.175 -2.682 18717 411 1 . 1 1 92 92 MET HA H 92 4.175 4.175 4.438 -0.263 18717 412 1 . 1 1 92 92 MET CA C 92 55.799 55.799 56.185 -0.386 18717 413 1 . 1 1 92 92 MET CB C 92 33.950 33.950 34.268 -0.318 18717 414 1 . 1 1 92 92 MET H H 92 7.549 7.549 7.692 -0.143 18717 415 1 . 1 1 93 93 LEU N N 93 117.943 117.943 119.270 -1.327 18717 416 1 . 1 1 93 93 LEU HA H 93 4.434 4.434 4.120 0.314 18717 417 1 . 1 1 93 93 LEU CA C 93 52.855 52.855 56.437 -3.582 18717 418 1 . 1 1 93 93 LEU CB C 93 42.859 42.859 42.271 0.588 18717 419 1 . 1 1 93 93 LEU H H 93 7.297 7.297 7.578 -0.281 18717 420 1 . 1 1 94 94 GLN N N 94 121.536 121.536 116.232 5.304 18717 421 1 . 1 1 94 94 GLN HA H 94 4.168 4.168 4.413 -0.245 18717 422 1 . 1 1 94 94 GLN CA C 94 56.091 56.091 55.143 0.948 18717 423 1 . 1 1 94 94 GLN CB C 94 29.163 29.163 31.702 -2.539 18717 424 1 . 1 1 94 94 GLN H H 94 8.675 8.675 8.164 0.511 18717 425 1 . 1 1 95 95 ASP N N 95 123.380 123.380 125.504 -2.125 18717 426 1 . 1 1 95 95 ASP HA H 95 3.884 3.884 4.397 -0.513 18717 427 1 . 1 1 95 95 ASP CA C 95 58.493 58.493 56.786 1.707 18717 428 1 . 1 1 95 95 ASP CB C 95 40.180 40.180 40.915 -0.735 18717 429 1 . 1 1 95 95 ASP H H 95 8.804 8.804 8.848 -0.045 18717 430 1 . 1 1 96 96 ARG N N 96 115.337 115.337 117.054 -1.717 18717 431 1 . 1 1 96 96 ARG HA H 96 4.089 4.089 4.373 -0.284 18717 432 1 . 1 1 96 96 ARG CA C 96 57.807 57.807 56.438 1.369 18717 433 1 . 1 1 96 96 ARG CB C 96 29.431 29.431 29.601 -0.170 18717 434 1 . 1 1 96 96 ARG H H 96 8.652 8.652 8.075 0.577 18717 435 1 . 1 1 97 97 LEU N N 97 118.485 118.485 120.945 -2.460 18717 436 1 . 1 1 97 97 LEU HA H 97 4.390 4.390 4.190 0.200 18717 437 1 . 1 1 97 97 LEU CA C 97 54.411 54.411 55.321 -0.910 18717 438 1 . 1 1 97 97 LEU CB C 97 44.094 44.094 42.490 1.604 18717 439 1 . 1 1 97 97 LEU H H 97 7.776 7.776 7.471 0.305 18717 440 1 . 1 1 98 98 ARG N N 98 119.863 119.863 115.287 4.576 18717 441 1 . 1 1 98 98 ARG HA H 98 3.909 3.909 4.108 -0.199 18717 442 1 . 1 1 98 98 ARG CA C 98 62.291 62.291 56.598 5.693 18717 443 1 . 1 1 98 98 ARG CB C 98 27.825 27.825 28.349 -0.524 18717 444 1 . 1 1 98 98 ARG H H 98 7.553 7.553 7.617 -0.064 18717 445 1 . 1 1 100 100 SER N N 100 111.387 111.387 116.285 -4.898 18717 446 1 . 1 1 100 100 SER HA H 100 4.360 4.360 4.440 -0.080 18717 447 1 . 1 1 100 100 SER CA C 100 59.923 59.923 59.467 0.456 18717 448 1 . 1 1 100 100 SER CB C 100 63.304 63.304 64.022 -0.718 18717 449 1 . 1 1 100 100 SER H H 100 7.616 7.616 8.495 -0.879 18717 450 1 . 1 1 101 101 PHE N N 101 123.367 123.367 123.456 -0.089 18717 451 1 . 1 1 101 101 PHE HA H 101 3.706 3.706 4.061 -0.355 18717 452 1 . 1 1 101 101 PHE CA C 101 62.716 62.716 61.366 1.350 18717 453 1 . 1 1 101 101 PHE CB C 101 38.645 38.645 38.733 -0.088 18717 454 1 . 1 1 101 101 PHE H H 101 7.722 7.722 8.280 -0.558 18717 455 1 . 1 1 102 102 ALA N N 102 117.466 117.466 118.337 -0.871 18717 456 1 . 1 1 102 102 ALA HA H 102 3.876 3.876 4.130 -0.254 18717 457 1 . 1 1 102 102 ALA CA C 102 54.538 54.538 54.650 -0.112 18717 458 1 . 1 1 102 102 ALA CB C 102 18.130 18.130 18.254 -0.124 18717 459 1 . 1 1 102 102 ALA H H 102 8.525 8.525 8.789 -0.264 18717 460 1 . 1 1 103 103 LYS N N 103 115.077 115.077 116.414 -1.337 18717 461 1 . 1 1 103 103 LYS HA H 103 4.065 4.065 4.386 -0.321 18717 462 1 . 1 1 103 103 LYS CA C 103 56.736 56.736 57.209 -0.473 18717 463 1 . 1 1 103 103 LYS CB C 103 32.047 32.047 33.074 -1.027 18717 464 1 . 1 1 103 103 LYS H H 103 7.000 7.000 7.952 -0.952 18717 465 1 . 1 1 104 104 ALA N N 104 119.948 119.948 122.340 -2.392 18717 466 1 . 1 1 104 104 ALA HA H 104 3.808 3.808 4.349 -0.541 18717 467 1 . 1 1 104 104 ALA CA C 104 53.999 53.999 53.585 0.414 18717 468 1 . 1 1 104 104 ALA CB C 104 17.915 17.915 18.739 -0.824 18717 469 1 . 1 1 104 104 ALA H H 104 7.955 7.955 7.783 0.172 18717 470 1 . 1 1 105 105 ILE N N 105 116.011 116.011 120.401 -4.390 18717 471 1 . 1 1 105 105 ILE HA H 105 3.449 3.449 3.944 -0.495 18717 472 1 . 1 1 105 105 ILE CA C 105 64.199 64.199 64.947 -0.748 18717 473 1 . 1 1 105 105 ILE CB C 105 32.997 32.997 35.205 -2.208 18717 474 1 . 1 1 105 105 ILE H H 105 7.030 7.030 8.470 -1.440 18717 475 1 . 1 1 106 106 PRO HA H 106 4.033 4.033 4.451 -0.418 18717 476 1 . 1 1 106 106 PRO CA C 106 65.922 65.922 65.825 0.097 18717 477 1 . 1 1 106 106 PRO CB C 106 30.963 30.963 30.950 0.013 18717 478 1 . 1 1 107 107 CYS N N 107 115.533 115.533 115.682 -0.149 18717 479 1 . 1 1 107 107 CYS HA H 107 3.874 3.874 4.440 -0.566 18717 480 1 . 1 1 107 107 CYS CA C 107 61.937 61.937 61.239 0.698 18717 481 1 . 1 1 107 107 CYS CB C 107 26.904 26.904 27.283 -0.380 18717 482 1 . 1 1 107 107 CYS H H 107 6.558 6.558 7.825 -1.267 18717 483 1 . 1 1 108 108 LEU HA H 108 3.853 3.853 4.365 -0.512 18717 484 1 . 1 1 109 109 ARG N N 109 120.576 120.576 117.945 2.631 18717 485 1 . 1 1 109 109 ARG HA H 109 4.392 4.392 4.327 0.065 18717 486 1 . 1 1 109 109 ARG CA C 109 58.461 58.461 58.372 0.089 18717 487 1 . 1 1 109 109 ARG CB C 109 30.267 30.267 29.687 0.580 18717 488 1 . 1 1 109 109 ARG H H 109 8.507 8.507 7.917 0.590 18717 489 1 . 1 1 110 110 HIS N N 110 122.218 122.218 121.746 0.472 18717 490 1 . 1 1 110 110 HIS HA H 110 4.086 4.086 4.352 -0.266 18717 491 1 . 1 1 110 110 HIS CA C 110 60.758 60.758 59.124 1.634 18717 492 1 . 1 1 110 110 HIS CB C 110 30.895 30.895 29.867 1.028 18717 493 1 . 1 1 110 110 HIS H H 110 7.998 7.998 8.248 -0.250 18717 494 1 . 1 1 111 111 ILE N N 111 105.612 105.612 110.601 -4.989 18717 495 1 . 1 1 111 111 ILE HA H 111 4.330 4.330 4.259 0.071 18717 496 1 . 1 1 111 111 ILE CA C 111 60.593 60.593 61.034 -0.441 18717 497 1 . 1 1 111 111 ILE CB C 111 36.950 36.950 38.740 -1.790 18717 498 1 . 1 1 111 111 ILE H H 111 6.904 6.904 7.326 -0.422 18717 499 1 . 1 1 112 112 ARG N N 112 114.782 114.782 117.583 -2.801 18717 500 1 . 1 1 112 112 ARG HA H 112 3.901 3.901 4.064 -0.163 18717 501 1 . 1 1 112 112 ARG CA C 112 57.315 57.315 57.054 0.261 18717 502 1 . 1 1 112 112 ARG CB C 112 26.240 26.240 27.233 -0.993 18717 503 1 . 1 1 112 112 ARG H H 112 7.660 7.660 8.043 -0.382 18717 504 1 . 1 1 113 113 ARG N N 113 114.996 114.996 117.208 -2.212 18717 505 1 . 1 1 113 113 ARG HA H 113 4.250 4.250 4.467 -0.217 18717 506 1 . 1 1 113 113 ARG CA C 113 55.654 55.654 56.581 -0.927 18717 507 1 . 1 1 113 113 ARG CB C 113 33.122 33.122 33.002 0.120 18717 508 1 . 1 1 113 113 ARG H H 113 8.149 8.149 7.800 0.349 18717 509 1 . 1 1 114 114 ILE N N 114 112.019 112.019 111.497 0.522 18717 510 1 . 1 1 114 114 ILE HA H 114 4.874 4.874 4.975 -0.101 18717 511 1 . 1 1 114 114 ILE CA C 114 56.602 56.602 59.334 -2.732 18717 512 1 . 1 1 114 114 ILE CB C 114 42.400 42.400 41.613 0.787 18717 513 1 . 1 1 114 114 ILE H H 114 6.810 6.810 7.327 -0.517 18717 514 1 . 1 1 115 115 ARG N N 115 122.894 122.894 118.797 4.097 18717 515 1 . 1 1 115 115 ARG HA H 115 4.357 4.357 4.694 -0.337 18717 516 1 . 1 1 115 115 ARG CA C 115 54.112 54.112 54.281 -0.169 18717 517 1 . 1 1 115 115 ARG CB C 115 33.058 33.058 34.815 -1.757 18717 518 1 . 1 1 115 115 ARG H H 115 8.822 8.822 8.316 0.506 18717 519 1 . 1 1 116 116 GLU N N 116 118.962 118.962 118.809 0.153 18717 520 1 . 1 1 116 116 GLU HA H 116 5.315 5.315 4.759 0.556 18717 521 1 . 1 1 116 116 GLU CA C 116 53.102 53.102 54.634 -1.532 18717 522 1 . 1 1 116 116 GLU CB C 116 34.934 34.934 31.963 2.972 18717 523 1 . 1 1 116 116 GLU H H 116 8.329 8.329 8.346 -0.017 18717 524 1 . 1 1 117 117 GLU N N 117 124.627 124.627 124.808 -0.181 18717 525 1 . 1 1 117 117 GLU HA H 117 4.531 4.531 4.599 -0.068 18717 526 1 . 1 1 117 117 GLU CA C 117 55.112 55.112 55.078 0.034 18717 527 1 . 1 1 117 117 GLU CB C 117 33.333 33.333 31.900 1.433 18717 528 1 . 1 1 117 117 GLU H H 117 9.028 9.028 8.313 0.715 18717 529 1 . 1 1 118 118 ARG N N 118 127.916 127.916 127.859 0.057 18717 530 1 . 1 1 118 118 ARG HA H 118 4.612 4.612 4.327 0.285 18717 531 1 . 1 1 118 118 ARG CA C 118 55.793 55.793 55.767 0.026 18717 532 1 . 1 1 118 118 ARG CB C 118 30.141 30.141 29.221 0.920 18717 533 1 . 1 1 118 118 ARG H H 118 8.952 8.952 8.653 0.299 18717 534 1 . 1 1 119 119 CYS N N 119 126.785 126.785 127.088 -0.303 18717 535 1 . 1 1 119 119 CYS HA H 119 4.658 4.658 4.639 0.019 18717 536 1 . 1 1 119 119 CYS CA C 119 56.448 56.448 57.806 -1.358 18717 537 1 . 1 1 119 119 CYS CB C 119 28.192 28.192 27.039 1.153 18717 538 1 . 1 1 119 119 CYS H H 119 8.831 8.831 8.187 0.644 18717 539 1 . 1 1 120 120 GLY N N 120 117.456 117.456 114.348 3.108 18717 540 1 . 1 1 120 120 GLY CA C 120 44.512 44.512 45.305 -0.792 18717 541 1 . 1 1 120 120 GLY H H 120 8.873 8.873 8.252 0.621 18717 542 1 . 1 1 122 122 LEU N N 122 121.777 121.777 118.558 3.219 18717 543 1 . 1 1 122 122 LEU HA H 122 4.438 4.438 4.568 -0.130 18717 544 1 . 1 1 122 122 LEU CA C 122 53.609 53.609 53.610 -0.001 18717 545 1 . 1 1 122 122 LEU CB C 122 44.979 44.979 45.354 -0.375 18717 546 1 . 1 1 122 122 LEU H H 122 7.270 7.270 7.499 -0.229 18717 547 1 . 1 1 123 123 THR N N 123 118.668 118.668 114.068 4.600 18717 548 1 . 1 1 123 123 THR HA H 123 4.407 4.407 4.698 -0.291 18717 549 1 . 1 1 123 123 THR CA C 123 61.769 61.769 61.710 0.059 18717 550 1 . 1 1 123 123 THR CB C 123 69.263 69.263 70.626 -1.363 18717 551 1 . 1 1 123 123 THR H H 123 7.649 7.649 7.984 -0.335 18717 552 1 . 1 1 124 124 PHE N N 124 125.265 125.265 123.891 1.375 18717 553 1 . 1 1 124 124 PHE HA H 124 4.271 4.271 5.442 -1.171 18717 554 1 . 1 1 124 124 PHE CA C 124 56.587 56.587 55.270 1.317 18717 555 1 . 1 1 124 124 PHE CB C 124 42.028 42.028 41.701 0.327 18717 556 1 . 1 1 124 124 PHE H H 124 8.553 8.553 8.312 0.241 18717 557 1 . 1 1 125 125 TYR N N 125 118.544 118.544 115.937 2.607 18717 558 1 . 1 1 125 125 TYR HA H 125 5.286 5.286 4.789 0.497 18717 559 1 . 1 1 125 125 TYR CA C 125 55.750 55.750 56.683 -0.933 18717 560 1 . 1 1 125 125 TYR CB C 125 40.118 40.118 40.806 -0.688 18717 561 1 . 1 1 125 125 TYR H H 125 8.616 8.616 8.320 0.296 18717 562 1 . 1 1 126 126 TYR N N 126 115.848 115.848 118.233 -2.385 18717 563 1 . 1 1 126 126 TYR HA H 126 5.260 5.260 5.443 -0.183 18717 564 1 . 1 1 126 126 TYR CA C 126 53.928 53.928 53.044 0.884 18717 565 1 . 1 1 126 126 TYR CB C 126 37.942 37.942 39.661 -1.719 18717 566 1 . 1 1 126 126 TYR H H 126 8.357 8.357 7.669 0.688 18717 567 1 . 1 1 127 127 PRO HA H 127 4.622 4.622 4.507 0.115 18717 568 1 . 1 1 127 127 PRO CA C 127 62.929 62.929 62.901 0.028 18717 569 1 . 1 1 128 128 GLY N N 128 108.039 108.039 114.057 -6.018 18717 570 1 . 1 1 128 128 GLY CA C 128 44.707 44.707 45.579 -0.872 18717 571 1 . 1 1 128 128 GLY H H 128 7.730 7.730 8.024 -0.294 18717 572 1 . 1 1 129 129 SER N N 129 114.228 114.228 116.770 -2.542 18717 573 1 . 1 1 129 129 SER HA H 129 4.438 4.438 4.552 -0.114 18717 574 1 . 1 1 129 129 SER CA C 129 57.566 57.566 58.447 -0.881 18717 575 1 . 1 1 129 129 SER CB C 129 63.772 63.772 64.366 -0.594 18717 576 1 . 1 1 129 129 SER H H 129 8.102 8.102 8.489 -0.387 18717 stop_ save_