data_19643 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19643 _Entry.PDB_ID 2MHO 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 19643 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 123.610 123.610 123.715 -0.105 19643 2 1 1 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.677 -0.388 19643 3 1 1 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.974 0.716 19643 4 1 1 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.356 0.017 19643 5 1 1 . 1 1 3 3 MET N N 3 119.242 119.242 121.446 -2.204 19643 6 1 1 . 1 1 3 3 MET HA H 3 4.422 4.422 4.593 -0.171 19643 7 1 1 . 1 1 3 3 MET CA C 3 55.333 55.333 55.365 -0.032 19643 8 1 1 . 1 1 3 3 MET CB C 3 32.744 32.744 33.144 -0.400 19643 9 1 1 . 1 1 4 4 GLU N N 4 122.309 122.309 124.478 -2.169 19643 10 1 1 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.793 -0.493 19643 11 1 1 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.064 1.342 19643 12 1 1 . 1 1 4 4 GLU CB C 4 30.722 30.722 32.315 -1.593 19643 13 1 1 . 1 1 5 5 MET N N 5 120.131 120.131 118.855 1.276 19643 14 1 1 . 1 1 5 5 MET HA H 5 4.911 4.911 4.644 0.267 19643 15 1 1 . 1 1 5 5 MET CA C 5 53.780 53.780 54.630 -0.850 19643 16 1 1 . 1 1 5 5 MET CB C 5 34.203 34.203 34.042 0.161 19643 17 1 1 . 1 1 6 6 GLU N N 6 121.438 121.438 120.002 1.436 19643 18 1 1 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.776 -0.271 19643 19 1 1 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.317 -0.962 19643 20 1 1 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.591 1.443 19643 21 1 1 . 1 1 7 7 TYR N N 7 121.043 121.043 124.072 -3.029 19643 22 1 1 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.945 0.431 19643 23 1 1 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.370 -1.274 19643 24 1 1 . 1 1 7 7 TYR CB C 7 41.311 41.311 39.994 1.317 19643 25 1 1 . 1 1 8 8 GLU N N 8 121.986 121.986 123.633 -1.647 19643 26 1 1 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.813 -0.427 19643 27 1 1 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.901 1.184 19643 28 1 1 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.239 0.671 19643 29 1 1 . 1 1 9 9 GLU N N 9 125.727 125.727 125.490 0.237 19643 30 1 1 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.050 0.088 19643 31 1 1 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.572 -0.767 19643 32 1 1 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.068 1.044 19643 33 1 1 . 1 1 10 10 ILE N N 10 130.210 130.210 127.687 2.523 19643 34 1 1 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.487 -0.544 19643 35 1 1 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.501 0.691 19643 36 1 1 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.140 1.473 19643 37 1 1 . 1 1 11 11 THR N N 11 124.067 124.067 121.934 2.133 19643 38 1 1 . 1 1 11 11 THR HA H 11 5.212 5.212 4.615 0.597 19643 39 1 1 . 1 1 11 11 THR CA C 11 61.750 61.750 61.787 -0.037 19643 40 1 1 . 1 1 11 11 THR CB C 11 69.466 69.466 69.687 -0.221 19643 41 1 1 . 1 1 12 12 LEU N N 12 125.136 125.136 126.620 -1.484 19643 42 1 1 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.802 -0.096 19643 43 1 1 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.279 -0.777 19643 44 1 1 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.409 0.919 19643 45 1 1 . 1 1 13 13 GLU N N 13 121.986 121.986 121.916 0.070 19643 46 1 1 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.823 0.084 19643 47 1 1 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.178 -0.913 19643 48 1 1 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.641 -0.362 19643 49 1 1 . 1 1 14 14 ARG N N 14 125.922 125.922 126.828 -0.906 19643 50 1 1 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.190 -0.647 19643 51 1 1 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.433 1.645 19643 52 1 1 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.263 1.309 19643 53 1 1 . 1 1 15 15 GLY N N 15 113.035 113.035 114.283 -1.248 19643 54 1 1 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.543 -0.435 19643 55 1 1 . 1 1 16 16 ASN N N 16 120.641 120.641 119.680 0.961 19643 56 1 1 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.594 -0.192 19643 57 1 1 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.272 1.608 19643 58 1 1 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.901 -0.838 19643 59 1 1 . 1 1 17 17 SER N N 17 111.943 111.943 114.213 -2.270 19643 60 1 1 . 1 1 17 17 SER HA H 17 4.598 4.598 4.530 0.068 19643 61 1 1 . 1 1 17 17 SER CA C 17 56.829 56.829 58.278 -1.449 19643 62 1 1 . 1 1 17 17 SER CB C 17 63.185 63.185 64.339 -1.154 19643 63 1 1 . 1 1 18 18 GLY N N 18 108.890 108.890 110.315 -1.425 19643 64 1 1 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.472 0.171 19643 65 1 1 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.885 0.303 19643 66 1 1 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.209 -0.790 19643 67 1 1 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.807 1.362 19643 68 1 1 . 1 1 20 20 GLY N N 20 106.101 106.101 105.888 0.213 19643 69 1 1 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.811 1.551 19643 70 1 1 . 1 1 21 21 PHE N N 21 117.144 117.144 116.197 0.947 19643 71 1 1 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.001 0.145 19643 72 1 1 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.614 0.707 19643 73 1 1 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.537 0.179 19643 74 1 1 . 1 1 22 22 SER N N 22 113.822 113.822 114.855 -1.033 19643 75 1 1 . 1 1 22 22 SER HA H 22 5.765 5.765 4.603 1.162 19643 76 1 1 . 1 1 22 22 SER CA C 22 56.474 56.474 57.450 -0.976 19643 77 1 1 . 1 1 22 22 SER CB C 22 65.095 65.095 66.249 -1.155 19643 78 1 1 . 1 1 23 23 ILE N N 23 114.674 114.674 120.115 -5.441 19643 79 1 1 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.584 1.162 19643 80 1 1 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.125 -0.841 19643 81 1 1 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.537 3.142 19643 82 1 1 . 1 1 24 24 ALA N N 24 123.084 123.084 128.011 -4.927 19643 83 1 1 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.966 0.075 19643 84 1 1 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.864 -1.297 19643 85 1 1 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.570 3.194 19643 86 1 1 . 1 1 25 25 GLY N N 25 106.991 106.991 108.817 -1.826 19643 87 1 1 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.296 -0.392 19643 88 1 1 . 1 1 26 26 GLY N N 26 108.474 108.474 107.659 0.815 19643 89 1 1 . 1 1 26 26 GLY CA C 26 43.533 43.533 44.911 -1.378 19643 90 1 1 . 1 1 27 27 THR N N 27 113.603 113.603 111.428 2.175 19643 91 1 1 . 1 1 27 27 THR HA H 27 3.844 3.844 4.553 -0.709 19643 92 1 1 . 1 1 27 27 THR CA C 27 64.151 64.151 62.949 1.202 19643 93 1 1 . 1 1 27 27 THR CB C 27 67.979 67.979 69.582 -1.603 19643 94 1 1 . 1 1 28 28 ASP N N 28 116.979 116.979 120.657 -3.678 19643 95 1 1 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.703 -0.182 19643 96 1 1 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.519 -2.522 19643 97 1 1 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.530 -2.332 19643 98 1 1 . 1 1 29 29 ASN N N 29 119.889 119.889 119.840 0.049 19643 99 1 1 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.064 -0.187 19643 100 1 1 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.577 1.209 19643 101 1 1 . 1 1 29 29 ASN CB C 29 41.288 41.288 38.945 2.343 19643 102 1 1 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.459 0.129 19643 103 1 1 . 1 1 30 30 PRO CA C 30 64.383 64.383 63.268 1.115 19643 104 1 1 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.626 -0.901 19643 105 1 1 . 1 1 31 31 HIS N N 31 122.889 122.889 118.732 4.157 19643 106 1 1 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.738 -0.032 19643 107 1 1 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.629 -1.550 19643 108 1 1 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.989 -1.341 19643 109 1 1 . 1 1 32 32 ILE N N 32 115.082 115.082 119.235 -4.153 19643 110 1 1 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.245 -0.249 19643 111 1 1 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.038 -1.973 19643 112 1 1 . 1 1 32 32 ILE CB C 32 40.233 40.233 41.022 -0.789 19643 113 1 1 . 1 1 33 33 GLY N N 33 114.196 114.196 110.238 3.958 19643 114 1 1 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.581 2.627 19643 115 1 1 . 1 1 34 34 ASP N N 34 124.358 124.358 119.655 4.703 19643 116 1 1 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.523 0.064 19643 117 1 1 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.665 -3.049 19643 118 1 1 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.542 0.109 19643 119 1 1 . 1 1 35 35 ASP N N 35 123.575 123.575 121.240 2.335 19643 120 1 1 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.871 -0.094 19643 121 1 1 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.676 -1.141 19643 122 1 1 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.100 -0.192 19643 123 1 1 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.545 -0.051 19643 124 1 1 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.447 -0.127 19643 125 1 1 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.568 0.377 19643 126 1 1 . 1 1 37 37 SER N N 37 117.452 117.452 113.509 3.943 19643 127 1 1 . 1 1 37 37 SER HA H 37 4.077 4.077 4.608 -0.531 19643 128 1 1 . 1 1 37 37 SER CA C 37 60.109 60.109 57.237 2.872 19643 129 1 1 . 1 1 37 37 SER CB C 37 63.043 63.043 64.770 -1.727 19643 130 1 1 . 1 1 38 38 ILE N N 38 123.464 123.464 121.100 2.364 19643 131 1 1 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.611 0.067 19643 132 1 1 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.472 -1.981 19643 133 1 1 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.605 -1.700 19643 134 1 1 . 1 1 39 39 PHE N N 39 124.567 124.567 128.579 -4.012 19643 135 1 1 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.976 0.366 19643 136 1 1 . 1 1 39 39 PHE CA C 39 56.573 56.573 54.913 1.660 19643 137 1 1 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.073 1.022 19643 138 1 1 . 1 1 40 40 ILE N N 40 119.768 119.768 122.909 -3.141 19643 139 1 1 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.192 0.409 19643 140 1 1 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.222 0.074 19643 141 1 1 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.172 -0.139 19643 142 1 1 . 1 1 41 41 THR N N 41 118.591 118.591 115.042 3.549 19643 143 1 1 . 1 1 41 41 THR HA H 41 4.530 4.530 4.281 0.249 19643 144 1 1 . 1 1 41 41 THR CA C 41 62.101 62.101 61.658 0.443 19643 145 1 1 . 1 1 41 41 THR CB C 41 68.728 68.728 70.711 -1.983 19643 146 1 1 . 1 1 42 42 LYS N N 42 121.511 121.511 123.376 -1.865 19643 147 1 1 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.625 -0.352 19643 148 1 1 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.380 1.185 19643 149 1 1 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.427 1.649 19643 150 1 1 . 1 1 43 43 ILE N N 43 126.187 126.187 124.577 1.610 19643 151 1 1 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.413 -0.123 19643 152 1 1 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.150 1.772 19643 153 1 1 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.525 -1.342 19643 154 1 1 . 1 1 44 44 ILE N N 44 128.532 128.532 129.340 -0.808 19643 155 1 1 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.402 -0.248 19643 156 1 1 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.947 0.072 19643 157 1 1 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.001 0.215 19643 158 1 1 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.386 -0.205 19643 159 1 1 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.479 -0.366 19643 160 1 1 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.882 -0.497 19643 161 1 1 . 1 1 46 46 GLY N N 46 111.733 111.733 106.790 4.943 19643 162 1 1 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.435 0.928 19643 163 1 1 . 1 1 47 47 GLY N N 47 106.686 106.686 108.437 -1.751 19643 164 1 1 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.764 0.887 19643 165 1 1 . 1 1 48 48 ALA N N 48 120.883 120.883 122.035 -1.152 19643 166 1 1 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.293 -0.265 19643 167 1 1 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.215 1.368 19643 168 1 1 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.503 -1.549 19643 169 1 1 . 1 1 49 49 ALA N N 49 119.457 119.457 120.383 -0.926 19643 170 1 1 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.147 0.031 19643 171 1 1 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.712 0.096 19643 172 1 1 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.162 0.712 19643 173 1 1 . 1 1 50 50 ALA N N 50 127.017 127.017 119.499 7.518 19643 174 1 1 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.366 -0.453 19643 175 1 1 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.651 1.253 19643 176 1 1 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.666 0.122 19643 177 1 1 . 1 1 51 51 GLN N N 51 117.131 117.131 117.883 -0.752 19643 178 1 1 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.330 -0.429 19643 179 1 1 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.963 0.575 19643 180 1 1 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.465 -0.767 19643 181 1 1 . 1 1 52 52 ASP N N 52 118.091 118.091 118.351 -0.260 19643 182 1 1 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.683 -0.322 19643 183 1 1 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.473 1.427 19643 184 1 1 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.823 1.888 19643 185 1 1 . 1 1 53 53 GLY N N 53 102.763 102.763 107.557 -4.794 19643 186 1 1 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.246 1.119 19643 187 1 1 . 1 1 54 54 ARG N N 54 119.861 119.861 118.058 1.803 19643 188 1 1 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.992 0.181 19643 189 1 1 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.955 2.420 19643 190 1 1 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.992 5.314 19643 191 1 1 . 1 1 55 55 LEU N N 55 120.459 120.459 121.021 -0.562 19643 192 1 1 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.632 -0.864 19643 193 1 1 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.979 1.259 19643 194 1 1 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.447 -1.107 19643 195 1 1 . 1 1 56 56 ARG N N 56 122.213 122.213 125.059 -2.846 19643 196 1 1 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.526 -0.086 19643 197 1 1 . 1 1 56 56 ARG CA C 56 53.209 53.209 55.054 -1.845 19643 198 1 1 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.012 0.818 19643 199 1 1 . 1 1 57 57 VAL N N 57 120.461 120.461 122.471 -2.010 19643 200 1 1 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.738 -0.586 19643 201 1 1 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.992 0.532 19643 202 1 1 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.098 -0.937 19643 203 1 1 . 1 1 58 58 ASN N N 58 120.800 120.800 111.298 9.502 19643 204 1 1 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.695 -0.405 19643 205 1 1 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.559 2.789 19643 206 1 1 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.731 -0.738 19643 207 1 1 . 1 1 59 59 ASP N N 59 122.628 122.628 119.621 3.007 19643 208 1 1 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.665 -0.112 19643 209 1 1 . 1 1 59 59 ASP CA C 59 56.411 56.411 56.040 0.371 19643 210 1 1 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.770 -1.070 19643 211 1 1 . 1 1 60 60 SER N N 60 115.152 115.152 112.657 2.495 19643 212 1 1 . 1 1 60 60 SER HA H 60 5.391 5.391 4.189 1.202 19643 213 1 1 . 1 1 60 60 SER CA C 60 55.105 55.105 59.717 -4.612 19643 214 1 1 . 1 1 60 60 SER CB C 60 65.259 65.259 63.074 2.186 19643 215 1 1 . 1 1 61 61 ILE N N 61 123.216 123.216 123.320 -0.104 19643 216 1 1 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.233 -0.325 19643 217 1 1 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.826 -0.362 19643 218 1 1 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.042 1.036 19643 219 1 1 . 1 1 62 62 LEU N N 62 126.711 126.711 125.249 1.462 19643 220 1 1 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.590 -0.390 19643 221 1 1 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.193 0.454 19643 222 1 1 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.347 -0.217 19643 223 1 1 . 1 1 63 63 PHE N N 63 111.486 111.486 117.354 -5.868 19643 224 1 1 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.169 0.274 19643 225 1 1 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.987 -0.862 19643 226 1 1 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.613 1.622 19643 227 1 1 . 1 1 64 64 VAL N N 64 120.758 120.758 115.141 5.617 19643 228 1 1 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.975 -0.666 19643 229 1 1 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.087 0.477 19643 230 1 1 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.073 -1.037 19643 231 1 1 . 1 1 65 65 ASN N N 65 126.150 126.150 122.047 4.103 19643 232 1 1 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.359 -0.134 19643 233 1 1 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.752 0.293 19643 234 1 1 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.319 -2.071 19643 235 1 1 . 1 1 67 67 VAL N N 67 124.346 124.346 122.111 2.235 19643 236 1 1 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.356 -0.539 19643 237 1 1 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.852 2.590 19643 238 1 1 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.710 -1.665 19643 239 1 1 . 1 1 68 68 ASP N N 68 127.980 127.980 125.747 2.233 19643 240 1 1 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.312 -0.341 19643 241 1 1 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.056 -0.971 19643 242 1 1 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.942 1.227 19643 243 1 1 . 1 1 69 69 VAL N N 69 120.432 120.432 121.197 -0.765 19643 244 1 1 . 1 1 69 69 VAL HA H 69 4.637 4.637 3.998 0.639 19643 245 1 1 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.026 -3.041 19643 246 1 1 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.310 -2.417 19643 247 1 1 . 1 1 70 70 ARG N N 70 122.630 122.630 119.099 3.531 19643 248 1 1 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.958 0.174 19643 249 1 1 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.237 1.530 19643 250 1 1 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.287 0.284 19643 251 1 1 . 1 1 71 71 GLU N N 71 120.164 120.164 117.992 2.172 19643 252 1 1 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.480 -0.187 19643 253 1 1 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.973 -1.319 19643 254 1 1 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.431 -0.101 19643 255 1 1 . 1 1 72 72 VAL N N 72 118.241 118.241 117.804 0.437 19643 256 1 1 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.629 0.175 19643 257 1 1 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.528 -1.180 19643 258 1 1 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.323 0.664 19643 259 1 1 . 1 1 73 73 THR N N 73 109.907 109.907 110.910 -1.003 19643 260 1 1 . 1 1 73 73 THR HA H 73 4.311 4.311 4.502 -0.191 19643 261 1 1 . 1 1 73 73 THR CA C 73 61.446 61.446 61.423 0.023 19643 262 1 1 . 1 1 73 73 THR CB C 73 70.324 70.324 70.790 -0.466 19643 263 1 1 . 1 1 74 74 HIS N N 74 122.235 122.235 123.092 -0.857 19643 264 1 1 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.204 -0.322 19643 265 1 1 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.575 1.094 19643 266 1 1 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.988 -1.465 19643 267 1 1 . 1 1 75 75 SER N N 75 111.076 111.076 114.789 -3.713 19643 268 1 1 . 1 1 75 75 SER HA H 75 3.962 3.962 4.176 -0.214 19643 269 1 1 . 1 1 75 75 SER CA C 75 61.889 61.889 61.330 0.559 19643 270 1 1 . 1 1 75 75 SER CB C 75 62.708 62.708 62.098 0.610 19643 271 1 1 . 1 1 76 76 ALA N N 76 125.241 125.241 123.567 1.674 19643 272 1 1 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.151 -0.087 19643 273 1 1 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.760 1.236 19643 274 1 1 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.311 0.052 19643 275 1 1 . 1 1 77 77 ALA N N 77 123.063 123.063 120.041 3.022 19643 276 1 1 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.386 -0.586 19643 277 1 1 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.625 1.859 19643 278 1 1 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.327 -1.345 19643 279 1 1 . 1 1 78 78 VAL N N 78 117.348 117.348 118.356 -1.008 19643 280 1 1 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.668 -0.552 19643 281 1 1 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.920 1.375 19643 282 1 1 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.788 -0.092 19643 283 1 1 . 1 1 79 79 GLU N N 79 119.021 119.021 118.992 0.029 19643 284 1 1 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.075 -0.203 19643 285 1 1 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.001 0.239 19643 286 1 1 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.137 -0.048 19643 287 1 1 . 1 1 80 80 ALA N N 80 120.115 120.115 120.638 -0.523 19643 288 1 1 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.293 -0.325 19643 289 1 1 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.268 0.445 19643 290 1 1 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.644 -1.588 19643 291 1 1 . 1 1 81 81 LEU N N 81 116.561 116.561 116.555 0.006 19643 292 1 1 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.287 -0.486 19643 293 1 1 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.358 1.937 19643 294 1 1 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.181 -0.559 19643 295 1 1 . 1 1 82 82 LYS N N 82 121.600 121.600 118.642 2.958 19643 296 1 1 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.185 -0.221 19643 297 1 1 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.641 1.209 19643 298 1 1 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.808 0.054 19643 299 1 1 . 1 1 83 83 GLU N N 83 115.395 115.395 117.893 -2.498 19643 300 1 1 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.233 0.076 19643 301 1 1 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.458 -1.331 19643 302 1 1 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.718 -0.864 19643 303 1 1 . 1 1 84 84 ALA N N 84 119.693 119.693 121.436 -1.743 19643 304 1 1 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.221 -0.106 19643 305 1 1 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.421 -0.025 19643 306 1 1 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.785 1.741 19643 307 1 1 . 1 1 85 85 GLY N N 85 104.439 104.439 105.161 -0.722 19643 308 1 1 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.566 -1.800 19643 309 1 1 . 1 1 86 86 SER N N 86 115.110 115.110 114.344 0.766 19643 310 1 1 . 1 1 86 86 SER HA H 86 4.129 4.129 4.627 -0.498 19643 311 1 1 . 1 1 86 86 SER CA C 86 61.282 61.282 59.360 1.922 19643 312 1 1 . 1 1 86 86 SER CB C 86 63.430 63.430 64.076 -0.646 19643 313 1 1 . 1 1 87 87 ILE N N 87 120.535 120.535 124.044 -3.509 19643 314 1 1 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.852 -0.209 19643 315 1 1 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.191 0.763 19643 316 1 1 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.389 -1.156 19643 317 1 1 . 1 1 88 88 VAL N N 88 127.851 127.851 122.249 5.602 19643 318 1 1 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.673 -0.415 19643 319 1 1 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.439 1.295 19643 320 1 1 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.292 -0.078 19643 321 1 1 . 1 1 89 89 ARG N N 89 127.712 127.712 126.145 1.567 19643 322 1 1 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.877 -0.086 19643 323 1 1 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.436 0.340 19643 324 1 1 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.259 0.543 19643 325 1 1 . 1 1 90 90 LEU N N 90 127.483 127.483 122.289 5.194 19643 326 1 1 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.927 0.204 19643 327 1 1 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.977 -1.063 19643 328 1 1 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.740 0.367 19643 329 1 1 . 1 1 91 91 TYR N N 91 125.830 125.830 125.093 0.737 19643 330 1 1 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.338 0.011 19643 331 1 1 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.656 1.295 19643 332 1 1 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.852 -0.607 19643 333 1 1 . 1 1 92 92 VAL N N 92 121.091 121.091 122.118 -1.027 19643 334 1 1 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.967 0.507 19643 335 1 1 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.892 -0.480 19643 336 1 1 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.225 0.132 19643 337 1 1 . 1 1 93 93 MET N N 93 118.712 118.712 120.219 -1.507 19643 338 1 1 . 1 1 93 93 MET HA H 93 5.103 5.103 4.710 0.393 19643 339 1 1 . 1 1 93 93 MET CA C 93 53.151 53.151 54.736 -1.585 19643 340 1 1 . 1 1 93 93 MET CB C 93 36.981 36.981 34.170 2.811 19643 341 1 1 . 1 1 94 94 ARG N N 94 122.359 122.359 122.464 -0.105 19643 342 1 1 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.721 0.119 19643 343 1 1 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.287 -0.282 19643 344 1 1 . 1 1 94 94 ARG CB C 94 34.135 34.135 33.518 0.617 19643 345 1 1 . 1 1 95 95 ARG N N 95 120.747 120.747 123.253 -2.506 19643 346 1 1 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.226 0.390 19643 347 1 1 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.698 -0.150 19643 348 1 1 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.181 -0.370 19643 349 1 1 . 1 1 96 96 LYS N N 96 125.436 125.436 125.474 -0.038 19643 350 1 1 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.445 -0.081 19643 351 1 1 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.368 -0.857 19643 352 1 1 . 1 1 96 96 LYS CB C 96 32.775 32.775 32.109 0.666 19643 353 1 2 . 1 1 2 2 ALA N N 2 123.610 123.610 127.376 -3.766 19643 354 1 2 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.690 -0.401 19643 355 1 2 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.529 1.161 19643 356 1 2 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.423 -1.050 19643 357 1 2 . 1 1 3 3 MET N N 3 119.242 119.242 123.371 -4.129 19643 358 1 2 . 1 1 3 3 MET HA H 3 4.422 4.422 4.687 -0.265 19643 359 1 2 . 1 1 3 3 MET CA C 3 55.333 55.333 55.260 0.073 19643 360 1 2 . 1 1 3 3 MET CB C 3 32.744 32.744 32.544 0.200 19643 361 1 2 . 1 1 4 4 GLU N N 4 122.309 122.309 126.206 -3.897 19643 362 1 2 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.794 -0.494 19643 363 1 2 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.182 1.224 19643 364 1 2 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.691 -0.969 19643 365 1 2 . 1 1 5 5 MET N N 5 120.131 120.131 117.059 3.072 19643 366 1 2 . 1 1 5 5 MET HA H 5 4.911 4.911 4.908 0.003 19643 367 1 2 . 1 1 5 5 MET CA C 5 53.780 53.780 54.582 -0.802 19643 368 1 2 . 1 1 5 5 MET CB C 5 34.203 34.203 34.532 -0.329 19643 369 1 2 . 1 1 6 6 GLU N N 6 121.438 121.438 119.912 1.526 19643 370 1 2 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.789 -0.284 19643 371 1 2 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.242 -0.887 19643 372 1 2 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.633 1.401 19643 373 1 2 . 1 1 7 7 TYR N N 7 121.043 121.043 123.863 -2.820 19643 374 1 2 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.951 0.425 19643 375 1 2 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.287 -1.191 19643 376 1 2 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.306 1.005 19643 377 1 2 . 1 1 8 8 GLU N N 8 121.986 121.986 123.193 -1.207 19643 378 1 2 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.803 -0.416 19643 379 1 2 . 1 1 8 8 GLU CA C 8 56.085 56.085 55.120 0.965 19643 380 1 2 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.355 0.555 19643 381 1 2 . 1 1 9 9 GLU N N 9 125.727 125.727 124.249 1.478 19643 382 1 2 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.113 0.025 19643 383 1 2 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.613 -0.808 19643 384 1 2 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.197 0.915 19643 385 1 2 . 1 1 10 10 ILE N N 10 130.210 130.210 127.584 2.626 19643 386 1 2 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.480 -0.537 19643 387 1 2 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.379 0.813 19643 388 1 2 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.978 1.635 19643 389 1 2 . 1 1 11 11 THR N N 11 124.067 124.067 120.655 3.412 19643 390 1 2 . 1 1 11 11 THR HA H 11 5.212 5.212 4.961 0.251 19643 391 1 2 . 1 1 11 11 THR CA C 11 61.750 61.750 61.022 0.728 19643 392 1 2 . 1 1 11 11 THR CB C 11 69.466 69.466 69.614 -0.148 19643 393 1 2 . 1 1 12 12 LEU N N 12 125.136 125.136 125.694 -0.558 19643 394 1 2 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.859 -0.153 19643 395 1 2 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.270 -0.768 19643 396 1 2 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.621 0.707 19643 397 1 2 . 1 1 13 13 GLU N N 13 121.986 121.986 121.415 0.571 19643 398 1 2 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.910 -0.003 19643 399 1 2 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.817 -1.552 19643 400 1 2 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.879 -0.600 19643 401 1 2 . 1 1 14 14 ARG N N 14 125.922 125.922 126.210 -0.288 19643 402 1 2 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.432 -0.889 19643 403 1 2 . 1 1 14 14 ARG CA C 14 58.078 58.078 55.755 2.323 19643 404 1 2 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.991 0.581 19643 405 1 2 . 1 1 15 15 GLY N N 15 113.035 113.035 116.363 -3.328 19643 406 1 2 . 1 1 15 15 GLY CA C 15 44.108 44.108 45.840 -1.732 19643 407 1 2 . 1 1 16 16 ASN N N 16 120.641 120.641 117.748 2.893 19643 408 1 2 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.706 -0.304 19643 409 1 2 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.352 1.528 19643 410 1 2 . 1 1 16 16 ASN CB C 16 38.063 38.063 39.049 -0.986 19643 411 1 2 . 1 1 17 17 SER N N 17 111.943 111.943 114.611 -2.668 19643 412 1 2 . 1 1 17 17 SER HA H 17 4.598 4.598 4.631 -0.033 19643 413 1 2 . 1 1 17 17 SER CA C 17 56.829 56.829 58.579 -1.750 19643 414 1 2 . 1 1 17 17 SER CB C 17 63.185 63.185 63.911 -0.726 19643 415 1 2 . 1 1 18 18 GLY N N 18 108.890 108.890 109.507 -0.617 19643 416 1 2 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.863 -0.220 19643 417 1 2 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.126 0.062 19643 418 1 2 . 1 1 19 19 LEU CA C 19 56.420 56.420 54.646 1.774 19643 419 1 2 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.923 0.246 19643 420 1 2 . 1 1 20 20 GLY N N 20 106.101 106.101 111.737 -5.636 19643 421 1 2 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.664 1.698 19643 422 1 2 . 1 1 21 21 PHE N N 21 117.144 117.144 117.250 -0.106 19643 423 1 2 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.956 0.190 19643 424 1 2 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.908 0.413 19643 425 1 2 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.403 0.313 19643 426 1 2 . 1 1 22 22 SER N N 22 113.822 113.822 114.996 -1.174 19643 427 1 2 . 1 1 22 22 SER HA H 22 5.765 5.765 4.768 0.997 19643 428 1 2 . 1 1 22 22 SER CA C 22 56.474 56.474 57.718 -1.244 19643 429 1 2 . 1 1 22 22 SER CB C 22 65.095 65.095 65.666 -0.571 19643 430 1 2 . 1 1 23 23 ILE N N 23 114.674 114.674 119.363 -4.689 19643 431 1 2 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.691 1.055 19643 432 1 2 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.537 -1.253 19643 433 1 2 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.109 3.570 19643 434 1 2 . 1 1 24 24 ALA N N 24 123.084 123.084 129.198 -6.114 19643 435 1 2 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.725 0.316 19643 436 1 2 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.268 -1.701 19643 437 1 2 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.079 3.685 19643 438 1 2 . 1 1 25 25 GLY N N 25 106.991 106.991 108.776 -1.785 19643 439 1 2 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.703 0.201 19643 440 1 2 . 1 1 26 26 GLY N N 26 108.474 108.474 105.622 2.852 19643 441 1 2 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.239 -1.706 19643 442 1 2 . 1 1 27 27 THR N N 27 113.603 113.603 113.820 -0.217 19643 443 1 2 . 1 1 27 27 THR HA H 27 3.844 3.844 4.321 -0.477 19643 444 1 2 . 1 1 27 27 THR CA C 27 64.151 64.151 64.028 0.123 19643 445 1 2 . 1 1 27 27 THR CB C 27 67.979 67.979 69.165 -1.185 19643 446 1 2 . 1 1 28 28 ASP N N 28 116.979 116.979 119.122 -2.143 19643 447 1 2 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.602 -0.081 19643 448 1 2 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.426 -2.429 19643 449 1 2 . 1 1 28 28 ASP CB C 28 39.198 39.198 40.460 -1.262 19643 450 1 2 . 1 1 29 29 ASN N N 29 119.889 119.889 119.456 0.433 19643 451 1 2 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.170 -0.293 19643 452 1 2 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.425 1.361 19643 453 1 2 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.303 1.985 19643 454 1 2 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.477 0.111 19643 455 1 2 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.999 1.384 19643 456 1 2 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.918 -1.193 19643 457 1 2 . 1 1 31 31 HIS N N 31 122.889 122.889 119.012 3.877 19643 458 1 2 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.571 0.135 19643 459 1 2 . 1 1 31 31 HIS CA C 31 56.079 56.079 58.167 -2.088 19643 460 1 2 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.611 0.037 19643 461 1 2 . 1 1 32 32 ILE N N 32 115.082 115.082 114.299 0.783 19643 462 1 2 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.535 -0.539 19643 463 1 2 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.371 -3.306 19643 464 1 2 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.563 0.670 19643 465 1 2 . 1 1 33 33 GLY N N 33 114.196 114.196 107.426 6.770 19643 466 1 2 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.292 1.916 19643 467 1 2 . 1 1 34 34 ASP N N 34 124.358 124.358 119.590 4.768 19643 468 1 2 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.538 0.049 19643 469 1 2 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.058 -2.442 19643 470 1 2 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.462 0.189 19643 471 1 2 . 1 1 35 35 ASP N N 35 123.575 123.575 120.630 2.945 19643 472 1 2 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.855 -0.078 19643 473 1 2 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.416 0.119 19643 474 1 2 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.063 -0.155 19643 475 1 2 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.742 -0.248 19643 476 1 2 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.405 -0.085 19643 477 1 2 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.498 0.447 19643 478 1 2 . 1 1 37 37 SER N N 37 117.452 117.452 114.067 3.385 19643 479 1 2 . 1 1 37 37 SER HA H 37 4.077 4.077 4.488 -0.411 19643 480 1 2 . 1 1 37 37 SER CA C 37 60.109 60.109 58.038 2.071 19643 481 1 2 . 1 1 37 37 SER CB C 37 63.043 63.043 64.263 -1.220 19643 482 1 2 . 1 1 38 38 ILE N N 38 123.464 123.464 123.050 0.414 19643 483 1 2 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.511 0.167 19643 484 1 2 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.071 -1.580 19643 485 1 2 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.497 -1.592 19643 486 1 2 . 1 1 39 39 PHE N N 39 124.567 124.567 124.296 0.271 19643 487 1 2 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.901 0.441 19643 488 1 2 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.372 1.201 19643 489 1 2 . 1 1 39 39 PHE CB C 39 44.095 44.095 42.710 1.385 19643 490 1 2 . 1 1 40 40 ILE N N 40 119.768 119.768 120.218 -0.450 19643 491 1 2 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.438 0.164 19643 492 1 2 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.486 -0.190 19643 493 1 2 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.339 -0.306 19643 494 1 2 . 1 1 41 41 THR N N 41 118.591 118.591 115.797 2.794 19643 495 1 2 . 1 1 41 41 THR HA H 41 4.530 4.530 4.496 0.034 19643 496 1 2 . 1 1 41 41 THR CA C 41 62.101 62.101 61.934 0.167 19643 497 1 2 . 1 1 41 41 THR CB C 41 68.728 68.728 71.165 -2.437 19643 498 1 2 . 1 1 42 42 LYS N N 42 121.511 121.511 123.356 -1.845 19643 499 1 2 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.678 -0.405 19643 500 1 2 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.340 1.225 19643 501 1 2 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.663 1.413 19643 502 1 2 . 1 1 43 43 ILE N N 43 126.187 126.187 124.138 2.049 19643 503 1 2 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.453 -0.163 19643 504 1 2 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.181 1.741 19643 505 1 2 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.704 -1.521 19643 506 1 2 . 1 1 44 44 ILE N N 44 128.532 128.532 129.159 -0.627 19643 507 1 2 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.389 -0.235 19643 508 1 2 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.109 -0.090 19643 509 1 2 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.000 0.216 19643 510 1 2 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.395 -0.214 19643 511 1 2 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.413 -0.300 19643 512 1 2 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.917 -0.532 19643 513 1 2 . 1 1 46 46 GLY N N 46 111.733 111.733 106.967 4.766 19643 514 1 2 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.477 0.886 19643 515 1 2 . 1 1 47 47 GLY N N 47 106.686 106.686 107.782 -1.096 19643 516 1 2 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.709 0.942 19643 517 1 2 . 1 1 48 48 ALA N N 48 120.883 120.883 121.983 -1.100 19643 518 1 2 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.300 -0.272 19643 519 1 2 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.321 1.262 19643 520 1 2 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.236 -1.282 19643 521 1 2 . 1 1 49 49 ALA N N 49 119.457 119.457 120.716 -1.259 19643 522 1 2 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.246 -0.068 19643 523 1 2 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.626 0.182 19643 524 1 2 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.216 0.658 19643 525 1 2 . 1 1 50 50 ALA N N 50 127.017 127.017 119.759 7.258 19643 526 1 2 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.419 -0.506 19643 527 1 2 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.692 1.212 19643 528 1 2 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.787 0.001 19643 529 1 2 . 1 1 51 51 GLN N N 51 117.131 117.131 118.055 -0.924 19643 530 1 2 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.287 -0.386 19643 531 1 2 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.932 0.606 19643 532 1 2 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.436 -0.738 19643 533 1 2 . 1 1 52 52 ASP N N 52 118.091 118.091 118.815 -0.724 19643 534 1 2 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.685 -0.324 19643 535 1 2 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.486 1.414 19643 536 1 2 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.350 2.361 19643 537 1 2 . 1 1 53 53 GLY N N 53 102.763 102.763 107.454 -4.691 19643 538 1 2 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.334 1.031 19643 539 1 2 . 1 1 54 54 ARG N N 54 119.861 119.861 118.142 1.719 19643 540 1 2 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.993 0.180 19643 541 1 2 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.999 2.376 19643 542 1 2 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.013 5.293 19643 543 1 2 . 1 1 55 55 LEU N N 55 120.459 120.459 121.161 -0.702 19643 544 1 2 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.644 -0.876 19643 545 1 2 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.942 1.296 19643 546 1 2 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.144 -0.804 19643 547 1 2 . 1 1 56 56 ARG N N 56 122.213 122.213 125.109 -2.896 19643 548 1 2 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.577 -0.137 19643 549 1 2 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.930 -1.721 19643 550 1 2 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.061 0.769 19643 551 1 2 . 1 1 57 57 VAL N N 57 120.461 120.461 122.015 -1.554 19643 552 1 2 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.722 -0.570 19643 553 1 2 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.378 0.146 19643 554 1 2 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.221 -1.060 19643 555 1 2 . 1 1 58 58 ASN N N 58 120.800 120.800 114.491 6.309 19643 556 1 2 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.644 -0.354 19643 557 1 2 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.781 2.567 19643 558 1 2 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.882 -0.889 19643 559 1 2 . 1 1 59 59 ASP N N 59 122.628 122.628 118.926 3.702 19643 560 1 2 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.667 -0.114 19643 561 1 2 . 1 1 59 59 ASP CA C 59 56.411 56.411 56.072 0.339 19643 562 1 2 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.094 -1.394 19643 563 1 2 . 1 1 60 60 SER N N 60 115.152 115.152 112.059 3.093 19643 564 1 2 . 1 1 60 60 SER HA H 60 5.391 5.391 4.204 1.187 19643 565 1 2 . 1 1 60 60 SER CA C 60 55.105 55.105 59.550 -4.445 19643 566 1 2 . 1 1 60 60 SER CB C 60 65.259 65.259 63.288 1.971 19643 567 1 2 . 1 1 61 61 ILE N N 61 123.216 123.216 122.249 0.967 19643 568 1 2 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.238 -0.330 19643 569 1 2 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.548 -0.084 19643 570 1 2 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.893 1.185 19643 571 1 2 . 1 1 62 62 LEU N N 62 126.711 126.711 123.855 2.856 19643 572 1 2 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.588 -0.388 19643 573 1 2 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.163 0.484 19643 574 1 2 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.270 -0.140 19643 575 1 2 . 1 1 63 63 PHE N N 63 111.486 111.486 117.510 -6.024 19643 576 1 2 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.138 0.305 19643 577 1 2 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.877 -0.752 19643 578 1 2 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.277 1.958 19643 579 1 2 . 1 1 64 64 VAL N N 64 120.758 120.758 121.529 -0.771 19643 580 1 2 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.634 -0.325 19643 581 1 2 . 1 1 64 64 VAL CA C 64 60.564 60.564 61.025 -0.461 19643 582 1 2 . 1 1 64 64 VAL CB C 64 33.036 33.036 32.520 0.516 19643 583 1 2 . 1 1 65 65 ASN N N 65 126.150 126.150 123.784 2.366 19643 584 1 2 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.320 -0.095 19643 585 1 2 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.609 0.436 19643 586 1 2 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.042 -1.794 19643 587 1 2 . 1 1 67 67 VAL N N 67 124.346 124.346 117.188 7.158 19643 588 1 2 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.562 -0.745 19643 589 1 2 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.240 2.202 19643 590 1 2 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.329 -1.284 19643 591 1 2 . 1 1 68 68 ASP N N 68 127.980 127.980 124.083 3.897 19643 592 1 2 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.381 -0.410 19643 593 1 2 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.540 -1.455 19643 594 1 2 . 1 1 68 68 ASP CB C 68 41.169 41.169 41.419 -0.251 19643 595 1 2 . 1 1 69 69 VAL N N 69 120.432 120.432 126.399 -5.967 19643 596 1 2 . 1 1 69 69 VAL HA H 69 4.637 4.637 3.896 0.741 19643 597 1 2 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.175 -3.190 19643 598 1 2 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.845 -2.952 19643 599 1 2 . 1 1 70 70 ARG N N 70 122.630 122.630 119.588 3.042 19643 600 1 2 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.855 0.277 19643 601 1 2 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.394 1.374 19643 602 1 2 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.894 0.677 19643 603 1 2 . 1 1 71 71 GLU N N 71 120.164 120.164 118.852 1.312 19643 604 1 2 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.501 -0.208 19643 605 1 2 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.582 -0.928 19643 606 1 2 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.714 -0.384 19643 607 1 2 . 1 1 72 72 VAL N N 72 118.241 118.241 118.161 0.080 19643 608 1 2 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.478 0.326 19643 609 1 2 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.197 -0.849 19643 610 1 2 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.103 0.884 19643 611 1 2 . 1 1 73 73 THR N N 73 109.907 109.907 110.975 -1.068 19643 612 1 2 . 1 1 73 73 THR HA H 73 4.311 4.311 4.542 -0.231 19643 613 1 2 . 1 1 73 73 THR CA C 73 61.446 61.446 61.077 0.369 19643 614 1 2 . 1 1 73 73 THR CB C 73 70.324 70.324 70.589 -0.265 19643 615 1 2 . 1 1 74 74 HIS N N 74 122.235 122.235 120.405 1.830 19643 616 1 2 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.101 -0.219 19643 617 1 2 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.023 1.646 19643 618 1 2 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.717 -0.194 19643 619 1 2 . 1 1 75 75 SER N N 75 111.076 111.076 115.963 -4.887 19643 620 1 2 . 1 1 75 75 SER HA H 75 3.962 3.962 4.079 -0.117 19643 621 1 2 . 1 1 75 75 SER CA C 75 61.889 61.889 60.758 1.131 19643 622 1 2 . 1 1 75 75 SER CB C 75 62.708 62.708 62.222 0.486 19643 623 1 2 . 1 1 76 76 ALA N N 76 125.241 125.241 120.499 4.742 19643 624 1 2 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.178 -0.114 19643 625 1 2 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.818 1.178 19643 626 1 2 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.338 0.024 19643 627 1 2 . 1 1 77 77 ALA N N 77 123.063 123.063 120.349 2.714 19643 628 1 2 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.409 -0.609 19643 629 1 2 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.807 1.677 19643 630 1 2 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.372 -1.390 19643 631 1 2 . 1 1 78 78 VAL N N 78 117.348 117.348 118.500 -1.152 19643 632 1 2 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.714 -0.598 19643 633 1 2 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.898 1.397 19643 634 1 2 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.212 0.484 19643 635 1 2 . 1 1 79 79 GLU N N 79 119.021 119.021 119.517 -0.496 19643 636 1 2 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.018 -0.146 19643 637 1 2 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.284 -0.044 19643 638 1 2 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.239 -0.150 19643 639 1 2 . 1 1 80 80 ALA N N 80 120.115 120.115 120.498 -0.383 19643 640 1 2 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.258 -0.290 19643 641 1 2 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.155 0.558 19643 642 1 2 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.670 -1.614 19643 643 1 2 . 1 1 81 81 LEU N N 81 116.561 116.561 116.238 0.323 19643 644 1 2 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.276 -0.475 19643 645 1 2 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.692 1.603 19643 646 1 2 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.483 -0.861 19643 647 1 2 . 1 1 82 82 LYS N N 82 121.600 121.600 117.317 4.283 19643 648 1 2 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.272 -0.308 19643 649 1 2 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.431 1.419 19643 650 1 2 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.953 -0.091 19643 651 1 2 . 1 1 83 83 GLU N N 83 115.395 115.395 118.800 -3.405 19643 652 1 2 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.317 -0.008 19643 653 1 2 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.001 -0.875 19643 654 1 2 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.666 -0.812 19643 655 1 2 . 1 1 84 84 ALA N N 84 119.693 119.693 120.984 -1.291 19643 656 1 2 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.204 -0.089 19643 657 1 2 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.375 0.021 19643 658 1 2 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.665 1.861 19643 659 1 2 . 1 1 85 85 GLY N N 85 104.439 104.439 106.020 -1.581 19643 660 1 2 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.332 -1.566 19643 661 1 2 . 1 1 86 86 SER N N 86 115.110 115.110 111.959 3.151 19643 662 1 2 . 1 1 86 86 SER HA H 86 4.129 4.129 4.477 -0.348 19643 663 1 2 . 1 1 86 86 SER CA C 86 61.282 61.282 58.414 2.868 19643 664 1 2 . 1 1 86 86 SER CB C 86 63.430 63.430 63.990 -0.560 19643 665 1 2 . 1 1 87 87 ILE N N 87 120.535 120.535 124.485 -3.950 19643 666 1 2 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.830 -0.187 19643 667 1 2 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.512 0.442 19643 668 1 2 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.282 -0.049 19643 669 1 2 . 1 1 88 88 VAL N N 88 127.851 127.851 127.953 -0.102 19643 670 1 2 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.380 -0.122 19643 671 1 2 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.972 0.762 19643 672 1 2 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.709 -0.495 19643 673 1 2 . 1 1 89 89 ARG N N 89 127.712 127.712 125.725 1.987 19643 674 1 2 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.142 -0.351 19643 675 1 2 . 1 1 89 89 ARG CA C 89 54.776 54.776 53.999 0.777 19643 676 1 2 . 1 1 89 89 ARG CB C 89 30.802 30.802 31.824 -1.022 19643 677 1 2 . 1 1 90 90 LEU N N 90 127.483 127.483 120.576 6.907 19643 678 1 2 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.069 0.062 19643 679 1 2 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.908 -0.994 19643 680 1 2 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.971 -0.864 19643 681 1 2 . 1 1 91 91 TYR N N 91 125.830 125.830 125.017 0.813 19643 682 1 2 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.498 -0.149 19643 683 1 2 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.717 1.234 19643 684 1 2 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.802 -0.556 19643 685 1 2 . 1 1 92 92 VAL N N 92 121.091 121.091 122.407 -1.316 19643 686 1 2 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.001 0.473 19643 687 1 2 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.788 -0.376 19643 688 1 2 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.216 0.141 19643 689 1 2 . 1 1 93 93 MET N N 93 118.712 118.712 119.194 -0.482 19643 690 1 2 . 1 1 93 93 MET HA H 93 5.103 5.103 4.728 0.375 19643 691 1 2 . 1 1 93 93 MET CA C 93 53.151 53.151 54.752 -1.601 19643 692 1 2 . 1 1 93 93 MET CB C 93 36.981 36.981 34.785 2.196 19643 693 1 2 . 1 1 94 94 ARG N N 94 122.359 122.359 121.491 0.868 19643 694 1 2 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.704 0.136 19643 695 1 2 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.605 -0.600 19643 696 1 2 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.533 -0.398 19643 697 1 2 . 1 1 95 95 ARG N N 95 120.747 120.747 123.699 -2.952 19643 698 1 2 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.455 0.161 19643 699 1 2 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.100 0.448 19643 700 1 2 . 1 1 95 95 ARG CB C 95 30.811 30.811 30.946 -0.135 19643 701 1 2 . 1 1 96 96 LYS N N 96 125.436 125.436 127.128 -1.692 19643 702 1 2 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.553 -0.189 19643 703 1 2 . 1 1 96 96 LYS CA C 96 54.511 54.511 54.695 -0.184 19643 704 1 2 . 1 1 96 96 LYS CB C 96 32.775 32.775 32.238 0.537 19643 705 1 3 . 1 1 2 2 ALA N N 2 123.610 123.610 125.039 -1.429 19643 706 1 3 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.811 -0.522 19643 707 1 3 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.983 0.707 19643 708 1 3 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.829 -0.456 19643 709 1 3 . 1 1 3 3 MET N N 3 119.242 119.242 119.616 -0.374 19643 710 1 3 . 1 1 3 3 MET HA H 3 4.422 4.422 4.816 -0.394 19643 711 1 3 . 1 1 3 3 MET CA C 3 55.333 55.333 55.313 0.020 19643 712 1 3 . 1 1 3 3 MET CB C 3 32.744 32.744 32.567 0.177 19643 713 1 3 . 1 1 4 4 GLU N N 4 122.309 122.309 121.972 0.337 19643 714 1 3 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.609 -0.309 19643 715 1 3 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.590 0.816 19643 716 1 3 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.204 -0.482 19643 717 1 3 . 1 1 5 5 MET N N 5 120.131 120.131 117.874 2.257 19643 718 1 3 . 1 1 5 5 MET HA H 5 4.911 4.911 4.611 0.300 19643 719 1 3 . 1 1 5 5 MET CA C 5 53.780 53.780 54.839 -1.059 19643 720 1 3 . 1 1 5 5 MET CB C 5 34.203 34.203 34.095 0.108 19643 721 1 3 . 1 1 6 6 GLU N N 6 121.438 121.438 120.110 1.328 19643 722 1 3 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.764 -0.259 19643 723 1 3 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.190 -0.835 19643 724 1 3 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.316 1.718 19643 725 1 3 . 1 1 7 7 TYR N N 7 121.043 121.043 123.613 -2.570 19643 726 1 3 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.010 0.366 19643 727 1 3 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.315 -1.219 19643 728 1 3 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.245 1.066 19643 729 1 3 . 1 1 8 8 GLU N N 8 121.986 121.986 123.104 -1.118 19643 730 1 3 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.789 -0.403 19643 731 1 3 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.635 1.450 19643 732 1 3 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.388 0.522 19643 733 1 3 . 1 1 9 9 GLU N N 9 125.727 125.727 124.599 1.128 19643 734 1 3 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.984 0.154 19643 735 1 3 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.515 -0.710 19643 736 1 3 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.154 0.958 19643 737 1 3 . 1 1 10 10 ILE N N 10 130.210 130.210 127.292 2.918 19643 738 1 3 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.454 -0.511 19643 739 1 3 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.430 0.762 19643 740 1 3 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.062 1.551 19643 741 1 3 . 1 1 11 11 THR N N 11 124.067 124.067 121.377 2.690 19643 742 1 3 . 1 1 11 11 THR HA H 11 5.212 5.212 4.655 0.557 19643 743 1 3 . 1 1 11 11 THR CA C 11 61.750 61.750 61.591 0.159 19643 744 1 3 . 1 1 11 11 THR CB C 11 69.466 69.466 69.832 -0.366 19643 745 1 3 . 1 1 12 12 LEU N N 12 125.136 125.136 125.307 -0.171 19643 746 1 3 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.833 -0.127 19643 747 1 3 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.118 -0.616 19643 748 1 3 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.647 0.681 19643 749 1 3 . 1 1 13 13 GLU N N 13 121.986 121.986 121.349 0.637 19643 750 1 3 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.927 -0.020 19643 751 1 3 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.292 -1.027 19643 752 1 3 . 1 1 13 13 GLU CB C 13 30.279 30.279 31.152 -0.873 19643 753 1 3 . 1 1 14 14 ARG N N 14 125.922 125.922 126.323 -0.401 19643 754 1 3 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.316 -0.773 19643 755 1 3 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.361 1.717 19643 756 1 3 . 1 1 14 14 ARG CB C 14 31.572 31.572 31.104 0.468 19643 757 1 3 . 1 1 15 15 GLY N N 15 113.035 113.035 116.778 -3.743 19643 758 1 3 . 1 1 15 15 GLY CA C 15 44.108 44.108 46.274 -2.166 19643 759 1 3 . 1 1 16 16 ASN N N 16 120.641 120.641 118.347 2.294 19643 760 1 3 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.603 -0.201 19643 761 1 3 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.278 1.602 19643 762 1 3 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.374 -0.312 19643 763 1 3 . 1 1 17 17 SER N N 17 111.943 111.943 114.972 -3.029 19643 764 1 3 . 1 1 17 17 SER HA H 17 4.598 4.598 4.590 0.008 19643 765 1 3 . 1 1 17 17 SER CA C 17 56.829 56.829 58.262 -1.433 19643 766 1 3 . 1 1 17 17 SER CB C 17 63.185 63.185 63.782 -0.597 19643 767 1 3 . 1 1 18 18 GLY N N 18 108.890 108.890 109.510 -0.620 19643 768 1 3 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.703 -0.060 19643 769 1 3 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.871 0.317 19643 770 1 3 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.264 0.156 19643 771 1 3 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.107 1.062 19643 772 1 3 . 1 1 20 20 GLY N N 20 106.101 106.101 105.883 0.218 19643 773 1 3 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.115 1.247 19643 774 1 3 . 1 1 21 21 PHE N N 21 117.144 117.144 115.442 1.702 19643 775 1 3 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.033 0.113 19643 776 1 3 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.586 0.735 19643 777 1 3 . 1 1 21 21 PHE CB C 21 40.716 40.716 41.146 -0.430 19643 778 1 3 . 1 1 22 22 SER N N 22 113.822 113.822 115.597 -1.775 19643 779 1 3 . 1 1 22 22 SER HA H 22 5.765 5.765 4.750 1.015 19643 780 1 3 . 1 1 22 22 SER CA C 22 56.474 56.474 57.525 -1.051 19643 781 1 3 . 1 1 22 22 SER CB C 22 65.095 65.095 66.150 -1.054 19643 782 1 3 . 1 1 23 23 ILE N N 23 114.674 114.674 120.406 -5.732 19643 783 1 3 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.589 1.157 19643 784 1 3 . 1 1 23 23 ILE CA C 23 58.284 58.284 58.752 -0.468 19643 785 1 3 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.684 2.995 19643 786 1 3 . 1 1 24 24 ALA N N 24 123.084 123.084 128.089 -5.005 19643 787 1 3 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.846 0.195 19643 788 1 3 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.894 -1.327 19643 789 1 3 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.632 3.132 19643 790 1 3 . 1 1 25 25 GLY N N 25 106.991 106.991 109.177 -2.186 19643 791 1 3 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.030 -0.126 19643 792 1 3 . 1 1 26 26 GLY N N 26 108.474 108.474 108.810 -0.336 19643 793 1 3 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.290 -1.757 19643 794 1 3 . 1 1 27 27 THR N N 27 113.603 113.603 112.875 0.728 19643 795 1 3 . 1 1 27 27 THR HA H 27 3.844 3.844 4.414 -0.570 19643 796 1 3 . 1 1 27 27 THR CA C 27 64.151 64.151 63.294 0.857 19643 797 1 3 . 1 1 27 27 THR CB C 27 67.979 67.979 69.591 -1.612 19643 798 1 3 . 1 1 28 28 ASP N N 28 116.979 116.979 119.766 -2.787 19643 799 1 3 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.691 -0.170 19643 800 1 3 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.600 -2.603 19643 801 1 3 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.261 -2.063 19643 802 1 3 . 1 1 29 29 ASN N N 29 119.889 119.889 120.004 -0.115 19643 803 1 3 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.082 -0.205 19643 804 1 3 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.655 1.131 19643 805 1 3 . 1 1 29 29 ASN CB C 29 41.288 41.288 38.983 2.305 19643 806 1 3 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.587 0.001 19643 807 1 3 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.532 1.851 19643 808 1 3 . 1 1 30 30 PRO CB C 30 31.725 31.725 33.042 -1.317 19643 809 1 3 . 1 1 31 31 HIS N N 31 122.889 122.889 118.407 4.482 19643 810 1 3 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.744 -0.038 19643 811 1 3 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.256 -1.177 19643 812 1 3 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.610 0.038 19643 813 1 3 . 1 1 32 32 ILE N N 32 115.082 115.082 118.780 -3.698 19643 814 1 3 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.170 -0.174 19643 815 1 3 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.084 -2.019 19643 816 1 3 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.218 2.015 19643 817 1 3 . 1 1 33 33 GLY N N 33 114.196 114.196 109.451 4.745 19643 818 1 3 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.898 2.311 19643 819 1 3 . 1 1 34 34 ASP N N 34 124.358 124.358 120.637 3.721 19643 820 1 3 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.814 -0.227 19643 821 1 3 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.824 -1.208 19643 822 1 3 . 1 1 34 34 ASP CB C 34 40.651 40.651 43.353 -2.702 19643 823 1 3 . 1 1 35 35 ASP N N 35 123.575 123.575 122.122 1.453 19643 824 1 3 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.922 -0.145 19643 825 1 3 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.270 0.265 19643 826 1 3 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.320 -0.412 19643 827 1 3 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.619 -0.125 19643 828 1 3 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.203 0.117 19643 829 1 3 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.653 0.292 19643 830 1 3 . 1 1 37 37 SER N N 37 117.452 117.452 114.303 3.149 19643 831 1 3 . 1 1 37 37 SER HA H 37 4.077 4.077 4.563 -0.486 19643 832 1 3 . 1 1 37 37 SER CA C 37 60.109 60.109 57.633 2.476 19643 833 1 3 . 1 1 37 37 SER CB C 37 63.043 63.043 64.645 -1.603 19643 834 1 3 . 1 1 38 38 ILE N N 38 123.464 123.464 122.378 1.086 19643 835 1 3 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.644 0.034 19643 836 1 3 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.930 -1.439 19643 837 1 3 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.074 -1.169 19643 838 1 3 . 1 1 39 39 PHE N N 39 124.567 124.567 128.530 -3.963 19643 839 1 3 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.939 0.403 19643 840 1 3 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.000 1.573 19643 841 1 3 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.227 0.868 19643 842 1 3 . 1 1 40 40 ILE N N 40 119.768 119.768 124.542 -4.774 19643 843 1 3 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.230 0.371 19643 844 1 3 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.230 0.066 19643 845 1 3 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.241 -0.208 19643 846 1 3 . 1 1 41 41 THR N N 41 118.591 118.591 115.601 2.990 19643 847 1 3 . 1 1 41 41 THR HA H 41 4.530 4.530 4.270 0.260 19643 848 1 3 . 1 1 41 41 THR CA C 41 62.101 62.101 61.784 0.317 19643 849 1 3 . 1 1 41 41 THR CB C 41 68.728 68.728 70.966 -2.238 19643 850 1 3 . 1 1 42 42 LYS N N 42 121.511 121.511 123.413 -1.902 19643 851 1 3 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.635 -0.362 19643 852 1 3 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.326 1.239 19643 853 1 3 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.548 1.528 19643 854 1 3 . 1 1 43 43 ILE N N 43 126.187 126.187 124.481 1.706 19643 855 1 3 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.418 -0.128 19643 856 1 3 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.193 1.729 19643 857 1 3 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.446 -1.263 19643 858 1 3 . 1 1 44 44 ILE N N 44 128.532 128.532 129.488 -0.956 19643 859 1 3 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.402 -0.248 19643 860 1 3 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.944 0.075 19643 861 1 3 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.904 0.312 19643 862 1 3 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.375 -0.194 19643 863 1 3 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.477 -0.364 19643 864 1 3 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.891 -0.506 19643 865 1 3 . 1 1 46 46 GLY N N 46 111.733 111.733 106.754 4.979 19643 866 1 3 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.800 0.563 19643 867 1 3 . 1 1 47 47 GLY N N 47 106.686 106.686 108.738 -2.052 19643 868 1 3 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.964 0.687 19643 869 1 3 . 1 1 48 48 ALA N N 48 120.883 120.883 121.977 -1.094 19643 870 1 3 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.324 -0.296 19643 871 1 3 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.323 1.260 19643 872 1 3 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.487 -1.533 19643 873 1 3 . 1 1 49 49 ALA N N 49 119.457 119.457 120.155 -0.698 19643 874 1 3 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.165 0.013 19643 875 1 3 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.721 0.087 19643 876 1 3 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.265 0.609 19643 877 1 3 . 1 1 50 50 ALA N N 50 127.017 127.017 119.628 7.389 19643 878 1 3 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.384 -0.471 19643 879 1 3 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.697 1.207 19643 880 1 3 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.772 0.016 19643 881 1 3 . 1 1 51 51 GLN N N 51 117.131 117.131 118.081 -0.950 19643 882 1 3 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.301 -0.400 19643 883 1 3 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.876 0.662 19643 884 1 3 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.465 -0.766 19643 885 1 3 . 1 1 52 52 ASP N N 52 118.091 118.091 118.779 -0.688 19643 886 1 3 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.690 -0.329 19643 887 1 3 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.484 1.416 19643 888 1 3 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.398 2.313 19643 889 1 3 . 1 1 53 53 GLY N N 53 102.763 102.763 107.484 -4.721 19643 890 1 3 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.373 0.992 19643 891 1 3 . 1 1 54 54 ARG N N 54 119.861 119.861 118.071 1.790 19643 892 1 3 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.994 0.179 19643 893 1 3 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.914 2.461 19643 894 1 3 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.980 5.326 19643 895 1 3 . 1 1 55 55 LEU N N 55 120.459 120.459 121.384 -0.925 19643 896 1 3 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.637 -0.869 19643 897 1 3 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.020 1.218 19643 898 1 3 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.077 -0.737 19643 899 1 3 . 1 1 56 56 ARG N N 56 122.213 122.213 125.111 -2.898 19643 900 1 3 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.576 -0.136 19643 901 1 3 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.925 -1.716 19643 902 1 3 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.036 0.794 19643 903 1 3 . 1 1 57 57 VAL N N 57 120.461 120.461 121.935 -1.474 19643 904 1 3 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.691 -0.539 19643 905 1 3 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.297 0.227 19643 906 1 3 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.239 -1.078 19643 907 1 3 . 1 1 58 58 ASN N N 58 120.800 120.800 114.506 6.294 19643 908 1 3 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.736 -0.446 19643 909 1 3 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.567 2.781 19643 910 1 3 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.781 -0.788 19643 911 1 3 . 1 1 59 59 ASP N N 59 122.628 122.628 119.134 3.494 19643 912 1 3 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.617 -0.064 19643 913 1 3 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.896 0.515 19643 914 1 3 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.061 -1.361 19643 915 1 3 . 1 1 60 60 SER N N 60 115.152 115.152 112.637 2.515 19643 916 1 3 . 1 1 60 60 SER HA H 60 5.391 5.391 4.178 1.213 19643 917 1 3 . 1 1 60 60 SER CA C 60 55.105 55.105 59.724 -4.619 19643 918 1 3 . 1 1 60 60 SER CB C 60 65.259 65.259 63.052 2.207 19643 919 1 3 . 1 1 61 61 ILE N N 61 123.216 123.216 123.014 0.202 19643 920 1 3 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.207 -0.299 19643 921 1 3 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.789 -0.325 19643 922 1 3 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.857 1.221 19643 923 1 3 . 1 1 62 62 LEU N N 62 126.711 126.711 123.390 3.321 19643 924 1 3 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.681 -0.481 19643 925 1 3 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.147 0.500 19643 926 1 3 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.508 -0.378 19643 927 1 3 . 1 1 63 63 PHE N N 63 111.486 111.486 117.344 -5.858 19643 928 1 3 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.205 0.238 19643 929 1 3 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.340 -1.215 19643 930 1 3 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.632 1.603 19643 931 1 3 . 1 1 64 64 VAL N N 64 120.758 120.758 121.318 -0.560 19643 932 1 3 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.603 -0.294 19643 933 1 3 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.758 -0.194 19643 934 1 3 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.857 -1.821 19643 935 1 3 . 1 1 65 65 ASN N N 65 126.150 126.150 123.891 2.259 19643 936 1 3 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.431 -0.206 19643 937 1 3 . 1 1 65 65 ASN CA C 65 56.045 56.045 56.777 -0.732 19643 938 1 3 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.785 -1.537 19643 939 1 3 . 1 1 67 67 VAL N N 67 124.346 124.346 119.332 5.014 19643 940 1 3 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.657 -0.840 19643 941 1 3 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.438 3.004 19643 942 1 3 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.787 -1.742 19643 943 1 3 . 1 1 68 68 ASP N N 68 127.980 127.980 122.380 5.600 19643 944 1 3 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.301 -0.330 19643 945 1 3 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.477 -0.392 19643 946 1 3 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.036 1.133 19643 947 1 3 . 1 1 69 69 VAL N N 69 120.432 120.432 117.056 3.376 19643 948 1 3 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.056 0.581 19643 949 1 3 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.761 -3.776 19643 950 1 3 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.200 -2.307 19643 951 1 3 . 1 1 70 70 ARG N N 70 122.630 122.630 119.836 2.794 19643 952 1 3 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.910 0.222 19643 953 1 3 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.533 1.235 19643 954 1 3 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.262 0.308 19643 955 1 3 . 1 1 71 71 GLU N N 71 120.164 120.164 117.840 2.324 19643 956 1 3 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.479 -0.186 19643 957 1 3 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.805 -1.151 19643 958 1 3 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.870 -0.540 19643 959 1 3 . 1 1 72 72 VAL N N 72 118.241 118.241 119.237 -0.996 19643 960 1 3 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.565 0.239 19643 961 1 3 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.455 -1.107 19643 962 1 3 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.133 0.854 19643 963 1 3 . 1 1 73 73 THR N N 73 109.907 109.907 109.878 0.029 19643 964 1 3 . 1 1 73 73 THR HA H 73 4.311 4.311 4.512 -0.201 19643 965 1 3 . 1 1 73 73 THR CA C 73 61.446 61.446 60.762 0.684 19643 966 1 3 . 1 1 73 73 THR CB C 73 70.324 70.324 70.805 -0.481 19643 967 1 3 . 1 1 74 74 HIS N N 74 122.235 122.235 122.596 -0.361 19643 968 1 3 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.231 -0.349 19643 969 1 3 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.713 0.956 19643 970 1 3 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.880 -1.357 19643 971 1 3 . 1 1 75 75 SER N N 75 111.076 111.076 113.789 -2.713 19643 972 1 3 . 1 1 75 75 SER HA H 75 3.962 3.962 4.251 -0.289 19643 973 1 3 . 1 1 75 75 SER CA C 75 61.889 61.889 60.638 1.251 19643 974 1 3 . 1 1 75 75 SER CB C 75 62.708 62.708 62.842 -0.134 19643 975 1 3 . 1 1 76 76 ALA N N 76 125.241 125.241 121.612 3.629 19643 976 1 3 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.296 -0.232 19643 977 1 3 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.674 1.322 19643 978 1 3 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.562 -0.200 19643 979 1 3 . 1 1 77 77 ALA N N 77 123.063 123.063 120.591 2.472 19643 980 1 3 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.359 -0.559 19643 981 1 3 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.802 1.682 19643 982 1 3 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.265 -1.283 19643 983 1 3 . 1 1 78 78 VAL N N 78 117.348 117.348 118.264 -0.916 19643 984 1 3 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.612 -0.496 19643 985 1 3 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.160 1.135 19643 986 1 3 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.876 -0.180 19643 987 1 3 . 1 1 79 79 GLU N N 79 119.021 119.021 119.449 -0.428 19643 988 1 3 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.012 -0.140 19643 989 1 3 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.360 -0.120 19643 990 1 3 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.305 -0.216 19643 991 1 3 . 1 1 80 80 ALA N N 80 120.115 120.115 120.603 -0.488 19643 992 1 3 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.263 -0.295 19643 993 1 3 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.242 0.471 19643 994 1 3 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.610 -1.554 19643 995 1 3 . 1 1 81 81 LEU N N 81 116.561 116.561 115.757 0.804 19643 996 1 3 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.307 -0.506 19643 997 1 3 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.065 2.230 19643 998 1 3 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.218 -0.596 19643 999 1 3 . 1 1 82 82 LYS N N 82 121.600 121.600 118.418 3.182 19643 1000 1 3 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.253 -0.289 19643 1001 1 3 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.636 1.214 19643 1002 1 3 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.962 -0.100 19643 1003 1 3 . 1 1 83 83 GLU N N 83 115.395 115.395 119.043 -3.648 19643 1004 1 3 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.322 -0.013 19643 1005 1 3 . 1 1 83 83 GLU CA C 83 56.126 56.126 56.874 -0.748 19643 1006 1 3 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.566 -0.712 19643 1007 1 3 . 1 1 84 84 ALA N N 84 119.693 119.693 121.148 -1.455 19643 1008 1 3 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.236 -0.121 19643 1009 1 3 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.289 0.107 19643 1010 1 3 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.789 1.737 19643 1011 1 3 . 1 1 85 85 GLY N N 85 104.439 104.439 105.874 -1.435 19643 1012 1 3 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.380 -1.614 19643 1013 1 3 . 1 1 86 86 SER N N 86 115.110 115.110 113.285 1.825 19643 1014 1 3 . 1 1 86 86 SER HA H 86 4.129 4.129 4.509 -0.380 19643 1015 1 3 . 1 1 86 86 SER CA C 86 61.282 61.282 58.253 3.029 19643 1016 1 3 . 1 1 86 86 SER CB C 86 63.430 63.430 64.748 -1.318 19643 1017 1 3 . 1 1 87 87 ILE N N 87 120.535 120.535 123.055 -2.520 19643 1018 1 3 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.815 -0.172 19643 1019 1 3 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.270 0.683 19643 1020 1 3 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.993 -0.760 19643 1021 1 3 . 1 1 88 88 VAL N N 88 127.851 127.851 127.436 0.415 19643 1022 1 3 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.401 -0.142 19643 1023 1 3 . 1 1 88 88 VAL CA C 88 61.734 61.734 61.397 0.337 19643 1024 1 3 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.294 -0.080 19643 1025 1 3 . 1 1 89 89 ARG N N 89 127.712 127.712 127.027 0.685 19643 1026 1 3 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.957 -0.166 19643 1027 1 3 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.697 0.079 19643 1028 1 3 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.940 -0.138 19643 1029 1 3 . 1 1 90 90 LEU N N 90 127.483 127.483 122.043 5.440 19643 1030 1 3 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.957 0.174 19643 1031 1 3 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.856 -0.942 19643 1032 1 3 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.985 0.122 19643 1033 1 3 . 1 1 91 91 TYR N N 91 125.830 125.830 124.458 1.372 19643 1034 1 3 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.278 0.071 19643 1035 1 3 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.951 1.000 19643 1036 1 3 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.447 -0.201 19643 1037 1 3 . 1 1 92 92 VAL N N 92 121.091 121.091 121.888 -0.797 19643 1038 1 3 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.988 0.486 19643 1039 1 3 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.763 -0.351 19643 1040 1 3 . 1 1 92 92 VAL CB C 92 35.357 35.357 34.884 0.473 19643 1041 1 3 . 1 1 93 93 MET N N 93 118.712 118.712 120.197 -1.485 19643 1042 1 3 . 1 1 93 93 MET HA H 93 5.103 5.103 4.733 0.370 19643 1043 1 3 . 1 1 93 93 MET CA C 93 53.151 53.151 54.145 -0.994 19643 1044 1 3 . 1 1 93 93 MET CB C 93 36.981 36.981 34.151 2.830 19643 1045 1 3 . 1 1 94 94 ARG N N 94 122.359 122.359 122.696 -0.337 19643 1046 1 3 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.739 0.101 19643 1047 1 3 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.292 -0.287 19643 1048 1 3 . 1 1 94 94 ARG CB C 94 34.135 34.135 32.798 1.337 19643 1049 1 3 . 1 1 95 95 ARG N N 95 120.747 120.747 124.454 -3.707 19643 1050 1 3 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.323 0.293 19643 1051 1 3 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.903 -0.355 19643 1052 1 3 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.075 -0.263 19643 1053 1 3 . 1 1 96 96 LYS N N 96 125.436 125.436 126.204 -0.768 19643 1054 1 3 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.471 -0.107 19643 1055 1 3 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.072 -0.561 19643 1056 1 3 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.945 0.830 19643 1057 1 4 . 1 1 2 2 ALA N N 2 123.610 123.610 124.982 -1.372 19643 1058 1 4 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.741 -0.452 19643 1059 1 4 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.998 0.692 19643 1060 1 4 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.665 -0.292 19643 1061 1 4 . 1 1 3 3 MET N N 3 119.242 119.242 121.739 -2.497 19643 1062 1 4 . 1 1 3 3 MET HA H 3 4.422 4.422 4.736 -0.314 19643 1063 1 4 . 1 1 3 3 MET CA C 3 55.333 55.333 54.891 0.442 19643 1064 1 4 . 1 1 3 3 MET CB C 3 32.744 32.744 33.989 -1.245 19643 1065 1 4 . 1 1 4 4 GLU N N 4 122.309 122.309 121.659 0.650 19643 1066 1 4 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.614 -0.314 19643 1067 1 4 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.288 1.118 19643 1068 1 4 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.695 -0.973 19643 1069 1 4 . 1 1 5 5 MET N N 5 120.131 120.131 117.974 2.157 19643 1070 1 4 . 1 1 5 5 MET HA H 5 4.911 4.911 4.524 0.387 19643 1071 1 4 . 1 1 5 5 MET CA C 5 53.780 53.780 55.487 -1.708 19643 1072 1 4 . 1 1 5 5 MET CB C 5 34.203 34.203 33.481 0.722 19643 1073 1 4 . 1 1 6 6 GLU N N 6 121.438 121.438 120.802 0.636 19643 1074 1 4 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.743 -0.238 19643 1075 1 4 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.261 -0.906 19643 1076 1 4 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.610 1.424 19643 1077 1 4 . 1 1 7 7 TYR N N 7 121.043 121.043 123.454 -2.411 19643 1078 1 4 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.920 0.456 19643 1079 1 4 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.418 -1.322 19643 1080 1 4 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.088 1.223 19643 1081 1 4 . 1 1 8 8 GLU N N 8 121.986 121.986 123.730 -1.744 19643 1082 1 4 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.812 -0.426 19643 1083 1 4 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.718 1.367 19643 1084 1 4 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.303 0.607 19643 1085 1 4 . 1 1 9 9 GLU N N 9 125.727 125.727 125.254 0.473 19643 1086 1 4 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.028 0.110 19643 1087 1 4 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.503 -0.698 19643 1088 1 4 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.182 0.930 19643 1089 1 4 . 1 1 10 10 ILE N N 10 130.210 130.210 127.409 2.801 19643 1090 1 4 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.458 -0.515 19643 1091 1 4 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.627 0.565 19643 1092 1 4 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.028 1.585 19643 1093 1 4 . 1 1 11 11 THR N N 11 124.067 124.067 118.675 5.392 19643 1094 1 4 . 1 1 11 11 THR HA H 11 5.212 5.212 4.865 0.347 19643 1095 1 4 . 1 1 11 11 THR CA C 11 61.750 61.750 61.197 0.553 19643 1096 1 4 . 1 1 11 11 THR CB C 11 69.466 69.466 69.830 -0.364 19643 1097 1 4 . 1 1 12 12 LEU N N 12 125.136 125.136 127.009 -1.873 19643 1098 1 4 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.756 -0.050 19643 1099 1 4 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.881 -1.379 19643 1100 1 4 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.679 0.649 19643 1101 1 4 . 1 1 13 13 GLU N N 13 121.986 121.986 122.247 -0.261 19643 1102 1 4 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.814 0.093 19643 1103 1 4 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.300 -1.035 19643 1104 1 4 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.365 -0.086 19643 1105 1 4 . 1 1 14 14 ARG N N 14 125.922 125.922 126.346 -0.424 19643 1106 1 4 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.108 -0.565 19643 1107 1 4 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.571 1.508 19643 1108 1 4 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.520 1.052 19643 1109 1 4 . 1 1 15 15 GLY N N 15 113.035 113.035 113.363 -0.328 19643 1110 1 4 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.232 -0.124 19643 1111 1 4 . 1 1 16 16 ASN N N 16 120.641 120.641 118.444 2.197 19643 1112 1 4 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.653 -0.251 19643 1113 1 4 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.231 1.649 19643 1114 1 4 . 1 1 16 16 ASN CB C 16 38.063 38.063 39.019 -0.956 19643 1115 1 4 . 1 1 17 17 SER N N 17 111.943 111.943 113.716 -1.773 19643 1116 1 4 . 1 1 17 17 SER HA H 17 4.598 4.598 4.539 0.059 19643 1117 1 4 . 1 1 17 17 SER CA C 17 56.829 56.829 58.486 -1.657 19643 1118 1 4 . 1 1 17 17 SER CB C 17 63.185 63.185 63.862 -0.677 19643 1119 1 4 . 1 1 18 18 GLY N N 18 108.890 108.890 109.538 -0.648 19643 1120 1 4 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.712 -0.069 19643 1121 1 4 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.828 0.360 19643 1122 1 4 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.239 0.181 19643 1123 1 4 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.151 1.018 19643 1124 1 4 . 1 1 20 20 GLY N N 20 106.101 106.101 105.140 0.961 19643 1125 1 4 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.931 1.431 19643 1126 1 4 . 1 1 21 21 PHE N N 21 117.144 117.144 115.969 1.175 19643 1127 1 4 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.147 -0.001 19643 1128 1 4 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.520 0.801 19643 1129 1 4 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.786 -0.070 19643 1130 1 4 . 1 1 22 22 SER N N 22 113.822 113.822 115.866 -2.044 19643 1131 1 4 . 1 1 22 22 SER HA H 22 5.765 5.765 4.651 1.114 19643 1132 1 4 . 1 1 22 22 SER CA C 22 56.474 56.474 57.361 -0.887 19643 1133 1 4 . 1 1 22 22 SER CB C 22 65.095 65.095 65.890 -0.795 19643 1134 1 4 . 1 1 23 23 ILE N N 23 114.674 114.674 119.897 -5.223 19643 1135 1 4 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.693 1.053 19643 1136 1 4 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.501 -1.217 19643 1137 1 4 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.828 3.851 19643 1138 1 4 . 1 1 24 24 ALA N N 24 123.084 123.084 128.891 -5.807 19643 1139 1 4 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.750 0.291 19643 1140 1 4 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.156 -1.589 19643 1141 1 4 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.107 3.657 19643 1142 1 4 . 1 1 25 25 GLY N N 25 106.991 106.991 109.075 -2.084 19643 1143 1 4 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.340 -0.436 19643 1144 1 4 . 1 1 26 26 GLY N N 26 108.474 108.474 105.212 3.262 19643 1145 1 4 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.294 -1.761 19643 1146 1 4 . 1 1 27 27 THR N N 27 113.603 113.603 112.269 1.334 19643 1147 1 4 . 1 1 27 27 THR HA H 27 3.844 3.844 4.332 -0.488 19643 1148 1 4 . 1 1 27 27 THR CA C 27 64.151 64.151 63.528 0.623 19643 1149 1 4 . 1 1 27 27 THR CB C 27 67.979 67.979 69.591 -1.612 19643 1150 1 4 . 1 1 28 28 ASP N N 28 116.979 116.979 118.146 -1.167 19643 1151 1 4 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.574 -0.053 19643 1152 1 4 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.595 -2.598 19643 1153 1 4 . 1 1 28 28 ASP CB C 28 39.198 39.198 40.677 -1.479 19643 1154 1 4 . 1 1 29 29 ASN N N 29 119.889 119.889 119.438 0.451 19643 1155 1 4 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.224 -0.347 19643 1156 1 4 . 1 1 29 29 ASN CA C 29 52.786 52.786 52.059 0.726 19643 1157 1 4 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.420 1.868 19643 1158 1 4 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.843 -0.255 19643 1159 1 4 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.810 1.573 19643 1160 1 4 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.593 -0.868 19643 1161 1 4 . 1 1 31 31 HIS N N 31 122.889 122.889 120.282 2.607 19643 1162 1 4 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.581 0.125 19643 1163 1 4 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.231 -1.152 19643 1164 1 4 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.016 0.632 19643 1165 1 4 . 1 1 32 32 ILE N N 32 115.082 115.082 114.948 0.134 19643 1166 1 4 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.518 -0.522 19643 1167 1 4 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.990 -3.925 19643 1168 1 4 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.528 0.705 19643 1169 1 4 . 1 1 33 33 GLY N N 33 114.196 114.196 108.862 5.334 19643 1170 1 4 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.698 1.510 19643 1171 1 4 . 1 1 34 34 ASP N N 34 124.358 124.358 119.379 4.979 19643 1172 1 4 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.831 -0.244 19643 1173 1 4 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.773 -1.157 19643 1174 1 4 . 1 1 34 34 ASP CB C 34 40.651 40.651 42.512 -1.861 19643 1175 1 4 . 1 1 35 35 ASP N N 35 123.575 123.575 122.853 0.722 19643 1176 1 4 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.988 -0.211 19643 1177 1 4 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.258 0.277 19643 1178 1 4 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.136 -0.228 19643 1179 1 4 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.648 -0.154 19643 1180 1 4 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.207 0.113 19643 1181 1 4 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.421 0.524 19643 1182 1 4 . 1 1 37 37 SER N N 37 117.452 117.452 114.249 3.203 19643 1183 1 4 . 1 1 37 37 SER HA H 37 4.077 4.077 4.443 -0.366 19643 1184 1 4 . 1 1 37 37 SER CA C 37 60.109 60.109 57.790 2.319 19643 1185 1 4 . 1 1 37 37 SER CB C 37 63.043 63.043 64.268 -1.225 19643 1186 1 4 . 1 1 38 38 ILE N N 38 123.464 123.464 123.743 -0.279 19643 1187 1 4 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.355 0.323 19643 1188 1 4 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.139 -1.647 19643 1189 1 4 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.578 -1.673 19643 1190 1 4 . 1 1 39 39 PHE N N 39 124.567 124.567 124.850 -0.283 19643 1191 1 4 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.813 0.529 19643 1192 1 4 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.610 0.963 19643 1193 1 4 . 1 1 39 39 PHE CB C 39 44.095 44.095 42.672 1.423 19643 1194 1 4 . 1 1 40 40 ILE N N 40 119.768 119.768 118.915 0.853 19643 1195 1 4 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.429 0.172 19643 1196 1 4 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.348 -0.052 19643 1197 1 4 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.157 -0.124 19643 1198 1 4 . 1 1 41 41 THR N N 41 118.591 118.591 118.058 0.533 19643 1199 1 4 . 1 1 41 41 THR HA H 41 4.530 4.530 4.440 0.090 19643 1200 1 4 . 1 1 41 41 THR CA C 41 62.101 62.101 62.245 -0.144 19643 1201 1 4 . 1 1 41 41 THR CB C 41 68.728 68.728 70.192 -1.464 19643 1202 1 4 . 1 1 42 42 LYS N N 42 121.511 121.511 123.552 -2.041 19643 1203 1 4 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.658 -0.385 19643 1204 1 4 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.139 1.426 19643 1205 1 4 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.195 1.881 19643 1206 1 4 . 1 1 43 43 ILE N N 43 126.187 126.187 124.677 1.510 19643 1207 1 4 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.436 -0.146 19643 1208 1 4 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.118 1.804 19643 1209 1 4 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.419 -1.236 19643 1210 1 4 . 1 1 44 44 ILE N N 44 128.532 128.532 129.469 -0.937 19643 1211 1 4 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.422 -0.268 19643 1212 1 4 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.896 0.123 19643 1213 1 4 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.949 0.267 19643 1214 1 4 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.374 -0.193 19643 1215 1 4 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.556 -0.443 19643 1216 1 4 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.865 -0.480 19643 1217 1 4 . 1 1 46 46 GLY N N 46 111.733 111.733 106.450 5.283 19643 1218 1 4 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.401 0.962 19643 1219 1 4 . 1 1 47 47 GLY N N 47 106.686 106.686 108.076 -1.390 19643 1220 1 4 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.708 0.943 19643 1221 1 4 . 1 1 48 48 ALA N N 48 120.883 120.883 122.311 -1.428 19643 1222 1 4 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.339 -0.311 19643 1223 1 4 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.217 1.366 19643 1224 1 4 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.496 -1.542 19643 1225 1 4 . 1 1 49 49 ALA N N 49 119.457 119.457 119.925 -0.468 19643 1226 1 4 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.141 0.037 19643 1227 1 4 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.679 0.129 19643 1228 1 4 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.329 0.544 19643 1229 1 4 . 1 1 50 50 ALA N N 50 127.017 127.017 118.534 8.483 19643 1230 1 4 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.342 -0.429 19643 1231 1 4 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.662 1.242 19643 1232 1 4 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.715 0.073 19643 1233 1 4 . 1 1 51 51 GLN N N 51 117.131 117.131 117.405 -0.274 19643 1234 1 4 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.319 -0.418 19643 1235 1 4 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.379 1.159 19643 1236 1 4 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.337 -0.639 19643 1237 1 4 . 1 1 52 52 ASP N N 52 118.091 118.091 119.403 -1.312 19643 1238 1 4 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.734 -0.373 19643 1239 1 4 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.369 1.531 19643 1240 1 4 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.714 1.997 19643 1241 1 4 . 1 1 53 53 GLY N N 53 102.763 102.763 107.713 -4.950 19643 1242 1 4 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.647 0.718 19643 1243 1 4 . 1 1 54 54 ARG N N 54 119.861 119.861 116.350 3.511 19643 1244 1 4 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.242 -0.069 19643 1245 1 4 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.895 2.480 19643 1246 1 4 . 1 1 54 54 ARG CB C 54 33.306 33.306 31.630 1.676 19643 1247 1 4 . 1 1 55 55 LEU N N 55 120.459 120.459 123.224 -2.765 19643 1248 1 4 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.156 -0.388 19643 1249 1 4 . 1 1 55 55 LEU CA C 55 55.238 55.238 55.307 -0.069 19643 1250 1 4 . 1 1 55 55 LEU CB C 55 43.340 43.340 42.532 0.807 19643 1251 1 4 . 1 1 56 56 ARG N N 56 122.213 122.213 125.351 -3.138 19643 1252 1 4 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.541 -0.101 19643 1253 1 4 . 1 1 56 56 ARG CA C 56 53.209 53.209 55.027 -1.818 19643 1254 1 4 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.919 0.911 19643 1255 1 4 . 1 1 57 57 VAL N N 57 120.461 120.461 119.776 0.685 19643 1256 1 4 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.807 -0.655 19643 1257 1 4 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.973 0.551 19643 1258 1 4 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.829 -0.668 19643 1259 1 4 . 1 1 58 58 ASN N N 58 120.800 120.800 115.436 5.364 19643 1260 1 4 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.673 -0.383 19643 1261 1 4 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.708 2.640 19643 1262 1 4 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.337 -1.344 19643 1263 1 4 . 1 1 59 59 ASP N N 59 122.628 122.628 118.910 3.718 19643 1264 1 4 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.649 -0.096 19643 1265 1 4 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.950 0.461 19643 1266 1 4 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.981 -1.281 19643 1267 1 4 . 1 1 60 60 SER N N 60 115.152 115.152 112.412 2.740 19643 1268 1 4 . 1 1 60 60 SER HA H 60 5.391 5.391 4.170 1.221 19643 1269 1 4 . 1 1 60 60 SER CA C 60 55.105 55.105 58.200 -3.095 19643 1270 1 4 . 1 1 60 60 SER CB C 60 65.259 65.259 63.659 1.600 19643 1271 1 4 . 1 1 61 61 ILE N N 61 123.216 123.216 125.339 -2.123 19643 1272 1 4 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.221 -0.313 19643 1273 1 4 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.680 -0.216 19643 1274 1 4 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.267 0.811 19643 1275 1 4 . 1 1 62 62 LEU N N 62 126.711 126.711 124.486 2.225 19643 1276 1 4 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.510 -0.310 19643 1277 1 4 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.071 0.576 19643 1278 1 4 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.234 -0.104 19643 1279 1 4 . 1 1 63 63 PHE N N 63 111.486 111.486 117.384 -5.898 19643 1280 1 4 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.264 0.179 19643 1281 1 4 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.091 -0.966 19643 1282 1 4 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.667 1.568 19643 1283 1 4 . 1 1 64 64 VAL N N 64 120.758 120.758 122.259 -1.501 19643 1284 1 4 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.358 -0.049 19643 1285 1 4 . 1 1 64 64 VAL CA C 64 60.564 60.564 61.474 -0.910 19643 1286 1 4 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.288 -1.252 19643 1287 1 4 . 1 1 65 65 ASN N N 65 126.150 126.150 124.219 1.931 19643 1288 1 4 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.433 -0.208 19643 1289 1 4 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.341 0.704 19643 1290 1 4 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.939 -1.691 19643 1291 1 4 . 1 1 67 67 VAL N N 67 124.346 124.346 119.628 4.718 19643 1292 1 4 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.263 -0.446 19643 1293 1 4 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.238 2.204 19643 1294 1 4 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.787 -1.742 19643 1295 1 4 . 1 1 68 68 ASP N N 68 127.980 127.980 124.827 3.153 19643 1296 1 4 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.310 -0.339 19643 1297 1 4 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.075 -0.990 19643 1298 1 4 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.477 1.692 19643 1299 1 4 . 1 1 69 69 VAL N N 69 120.432 120.432 115.820 4.612 19643 1300 1 4 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.059 0.578 19643 1301 1 4 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.599 -3.614 19643 1302 1 4 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.237 -2.345 19643 1303 1 4 . 1 1 70 70 ARG N N 70 122.630 122.630 119.485 3.145 19643 1304 1 4 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.862 0.270 19643 1305 1 4 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.303 1.465 19643 1306 1 4 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.254 0.317 19643 1307 1 4 . 1 1 71 71 GLU N N 71 120.164 120.164 117.669 2.495 19643 1308 1 4 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.449 -0.156 19643 1309 1 4 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.779 -1.125 19643 1310 1 4 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.974 -0.644 19643 1311 1 4 . 1 1 72 72 VAL N N 72 118.241 118.241 119.672 -1.431 19643 1312 1 4 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.478 0.326 19643 1313 1 4 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.312 -0.964 19643 1314 1 4 . 1 1 72 72 VAL CB C 72 35.987 35.987 34.816 1.171 19643 1315 1 4 . 1 1 73 73 THR N N 73 109.907 109.907 110.532 -0.625 19643 1316 1 4 . 1 1 73 73 THR HA H 73 4.311 4.311 4.588 -0.277 19643 1317 1 4 . 1 1 73 73 THR CA C 73 61.446 61.446 61.162 0.284 19643 1318 1 4 . 1 1 73 73 THR CB C 73 70.324 70.324 70.047 0.277 19643 1319 1 4 . 1 1 74 74 HIS N N 74 122.235 122.235 119.762 2.473 19643 1320 1 4 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.132 -0.250 19643 1321 1 4 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.830 1.839 19643 1322 1 4 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.970 -0.447 19643 1323 1 4 . 1 1 75 75 SER N N 75 111.076 111.076 116.161 -5.085 19643 1324 1 4 . 1 1 75 75 SER HA H 75 3.962 3.962 4.220 -0.258 19643 1325 1 4 . 1 1 75 75 SER CA C 75 61.889 61.889 61.661 0.228 19643 1326 1 4 . 1 1 75 75 SER CB C 75 62.708 62.708 62.458 0.250 19643 1327 1 4 . 1 1 76 76 ALA N N 76 125.241 125.241 121.693 3.548 19643 1328 1 4 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.190 -0.126 19643 1329 1 4 . 1 1 76 76 ALA CA C 76 54.996 54.996 54.063 0.933 19643 1330 1 4 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.320 0.042 19643 1331 1 4 . 1 1 77 77 ALA N N 77 123.063 123.063 120.587 2.476 19643 1332 1 4 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.317 -0.517 19643 1333 1 4 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.842 1.642 19643 1334 1 4 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.501 -1.519 19643 1335 1 4 . 1 1 78 78 VAL N N 78 117.348 117.348 118.717 -1.369 19643 1336 1 4 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.663 -0.547 19643 1337 1 4 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.516 0.779 19643 1338 1 4 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.706 -0.010 19643 1339 1 4 . 1 1 79 79 GLU N N 79 119.021 119.021 119.824 -0.803 19643 1340 1 4 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.012 -0.140 19643 1341 1 4 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.236 0.004 19643 1342 1 4 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.162 -0.073 19643 1343 1 4 . 1 1 80 80 ALA N N 80 120.115 120.115 119.970 0.145 19643 1344 1 4 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.320 -0.352 19643 1345 1 4 . 1 1 80 80 ALA CA C 80 54.713 54.713 53.890 0.823 19643 1346 1 4 . 1 1 80 80 ALA CB C 80 17.056 17.056 19.030 -1.974 19643 1347 1 4 . 1 1 81 81 LEU N N 81 116.561 116.561 117.223 -0.662 19643 1348 1 4 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.318 -0.517 19643 1349 1 4 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.778 1.517 19643 1350 1 4 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.405 -0.783 19643 1351 1 4 . 1 1 82 82 LYS N N 82 121.600 121.600 117.581 4.019 19643 1352 1 4 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.150 -0.186 19643 1353 1 4 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.896 0.954 19643 1354 1 4 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.404 -0.542 19643 1355 1 4 . 1 1 83 83 GLU N N 83 115.395 115.395 118.289 -2.894 19643 1356 1 4 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.249 0.060 19643 1357 1 4 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.362 -1.236 19643 1358 1 4 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.336 -0.482 19643 1359 1 4 . 1 1 84 84 ALA N N 84 119.693 119.693 121.833 -2.140 19643 1360 1 4 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.220 -0.105 19643 1361 1 4 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.440 -0.044 19643 1362 1 4 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.737 1.789 19643 1363 1 4 . 1 1 85 85 GLY N N 85 104.439 104.439 105.256 -0.817 19643 1364 1 4 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.376 -1.610 19643 1365 1 4 . 1 1 86 86 SER N N 86 115.110 115.110 113.479 1.631 19643 1366 1 4 . 1 1 86 86 SER HA H 86 4.129 4.129 4.523 -0.394 19643 1367 1 4 . 1 1 86 86 SER CA C 86 61.282 61.282 58.738 2.544 19643 1368 1 4 . 1 1 86 86 SER CB C 86 63.430 63.430 64.793 -1.363 19643 1369 1 4 . 1 1 87 87 ILE N N 87 120.535 120.535 122.589 -2.054 19643 1370 1 4 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.863 -0.220 19643 1371 1 4 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.141 0.813 19643 1372 1 4 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.819 -1.586 19643 1373 1 4 . 1 1 88 88 VAL N N 88 127.851 127.851 122.293 5.558 19643 1374 1 4 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.683 -0.425 19643 1375 1 4 . 1 1 88 88 VAL CA C 88 61.734 61.734 59.887 1.847 19643 1376 1 4 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.311 -0.097 19643 1377 1 4 . 1 1 89 89 ARG N N 89 127.712 127.712 126.447 1.265 19643 1378 1 4 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.013 -0.222 19643 1379 1 4 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.425 0.352 19643 1380 1 4 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.486 0.316 19643 1381 1 4 . 1 1 90 90 LEU N N 90 127.483 127.483 122.491 4.992 19643 1382 1 4 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.974 0.157 19643 1383 1 4 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.119 -0.205 19643 1384 1 4 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.706 1.401 19643 1385 1 4 . 1 1 91 91 TYR N N 91 125.830 125.830 125.803 0.027 19643 1386 1 4 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.257 0.092 19643 1387 1 4 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.769 1.183 19643 1388 1 4 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.252 -0.006 19643 1389 1 4 . 1 1 92 92 VAL N N 92 121.091 121.091 122.951 -1.860 19643 1390 1 4 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.009 0.465 19643 1391 1 4 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.841 -0.429 19643 1392 1 4 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.072 0.284 19643 1393 1 4 . 1 1 93 93 MET N N 93 118.712 118.712 119.811 -1.099 19643 1394 1 4 . 1 1 93 93 MET HA H 93 5.103 5.103 4.707 0.396 19643 1395 1 4 . 1 1 93 93 MET CA C 93 53.151 53.151 54.379 -1.228 19643 1396 1 4 . 1 1 93 93 MET CB C 93 36.981 36.981 34.117 2.864 19643 1397 1 4 . 1 1 94 94 ARG N N 94 122.359 122.359 122.142 0.217 19643 1398 1 4 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.728 0.112 19643 1399 1 4 . 1 1 94 94 ARG CA C 94 54.005 54.005 53.938 0.067 19643 1400 1 4 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.289 -0.154 19643 1401 1 4 . 1 1 95 95 ARG N N 95 120.747 120.747 121.794 -1.047 19643 1402 1 4 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.340 0.276 19643 1403 1 4 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.546 0.002 19643 1404 1 4 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.377 -0.566 19643 1405 1 4 . 1 1 96 96 LYS N N 96 125.436 125.436 123.601 1.835 19643 1406 1 4 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.398 -0.034 19643 1407 1 4 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.651 -1.140 19643 1408 1 4 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.248 1.527 19643 1409 1 5 . 1 1 2 2 ALA N N 2 123.610 123.610 124.761 -1.151 19643 1410 1 5 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.814 -0.525 19643 1411 1 5 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.646 1.044 19643 1412 1 5 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.852 -0.479 19643 1413 1 5 . 1 1 3 3 MET N N 3 119.242 119.242 119.896 -0.654 19643 1414 1 5 . 1 1 3 3 MET HA H 3 4.422 4.422 4.764 -0.342 19643 1415 1 5 . 1 1 3 3 MET CA C 3 55.333 55.333 54.411 0.922 19643 1416 1 5 . 1 1 3 3 MET CB C 3 32.744 32.744 33.479 -0.735 19643 1417 1 5 . 1 1 4 4 GLU N N 4 122.309 122.309 122.086 0.223 19643 1418 1 5 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.634 -0.334 19643 1419 1 5 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.402 1.004 19643 1420 1 5 . 1 1 4 4 GLU CB C 4 30.722 30.722 30.729 -0.007 19643 1421 1 5 . 1 1 5 5 MET N N 5 120.131 120.131 121.213 -1.082 19643 1422 1 5 . 1 1 5 5 MET HA H 5 4.911 4.911 4.514 0.397 19643 1423 1 5 . 1 1 5 5 MET CA C 5 53.780 53.780 55.660 -1.880 19643 1424 1 5 . 1 1 5 5 MET CB C 5 34.203 34.203 33.036 1.167 19643 1425 1 5 . 1 1 6 6 GLU N N 6 121.438 121.438 122.758 -1.320 19643 1426 1 5 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.768 -0.263 19643 1427 1 5 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.162 -0.807 19643 1428 1 5 . 1 1 6 6 GLU CB C 6 33.034 33.034 30.820 2.214 19643 1429 1 5 . 1 1 7 7 TYR N N 7 121.043 121.043 124.929 -3.886 19643 1430 1 5 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.920 0.456 19643 1431 1 5 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.376 -1.280 19643 1432 1 5 . 1 1 7 7 TYR CB C 7 41.311 41.311 39.992 1.319 19643 1433 1 5 . 1 1 8 8 GLU N N 8 121.986 121.986 123.590 -1.604 19643 1434 1 5 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.799 -0.413 19643 1435 1 5 . 1 1 8 8 GLU CA C 8 56.085 56.085 55.180 0.905 19643 1436 1 5 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.219 0.691 19643 1437 1 5 . 1 1 9 9 GLU N N 9 125.727 125.727 124.508 1.219 19643 1438 1 5 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.094 0.044 19643 1439 1 5 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.600 -0.795 19643 1440 1 5 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.167 0.945 19643 1441 1 5 . 1 1 10 10 ILE N N 10 130.210 130.210 128.056 2.154 19643 1442 1 5 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.481 -0.538 19643 1443 1 5 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.346 0.847 19643 1444 1 5 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.770 1.843 19643 1445 1 5 . 1 1 11 11 THR N N 11 124.067 124.067 121.802 2.265 19643 1446 1 5 . 1 1 11 11 THR HA H 11 5.212 5.212 4.678 0.534 19643 1447 1 5 . 1 1 11 11 THR CA C 11 61.750 61.750 61.096 0.654 19643 1448 1 5 . 1 1 11 11 THR CB C 11 69.466 69.466 69.412 0.054 19643 1449 1 5 . 1 1 12 12 LEU N N 12 125.136 125.136 125.406 -0.270 19643 1450 1 5 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.827 -0.121 19643 1451 1 5 . 1 1 12 12 LEU CA C 12 52.502 52.502 52.810 -0.308 19643 1452 1 5 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.760 0.568 19643 1453 1 5 . 1 1 13 13 GLU N N 13 121.986 121.986 120.187 1.799 19643 1454 1 5 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.675 0.232 19643 1455 1 5 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.677 -1.412 19643 1456 1 5 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.681 -0.402 19643 1457 1 5 . 1 1 14 14 ARG N N 14 125.922 125.922 125.905 0.017 19643 1458 1 5 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.250 -0.707 19643 1459 1 5 . 1 1 14 14 ARG CA C 14 58.078 58.078 55.730 2.348 19643 1460 1 5 . 1 1 14 14 ARG CB C 14 31.572 31.572 29.872 1.700 19643 1461 1 5 . 1 1 15 15 GLY N N 15 113.035 113.035 117.636 -4.601 19643 1462 1 5 . 1 1 15 15 GLY CA C 15 44.108 44.108 46.632 -2.524 19643 1463 1 5 . 1 1 16 16 ASN N N 16 120.641 120.641 120.349 0.292 19643 1464 1 5 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.575 -0.173 19643 1465 1 5 . 1 1 16 16 ASN CA C 16 55.880 55.880 55.162 0.718 19643 1466 1 5 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.354 -0.291 19643 1467 1 5 . 1 1 17 17 SER N N 17 111.943 111.943 114.182 -2.239 19643 1468 1 5 . 1 1 17 17 SER HA H 17 4.598 4.598 4.490 0.108 19643 1469 1 5 . 1 1 17 17 SER CA C 17 56.829 56.829 58.272 -1.443 19643 1470 1 5 . 1 1 17 17 SER CB C 17 63.185 63.185 63.883 -0.698 19643 1471 1 5 . 1 1 18 18 GLY N N 18 108.890 108.890 109.879 -0.989 19643 1472 1 5 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.714 -0.071 19643 1473 1 5 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.308 -0.120 19643 1474 1 5 . 1 1 19 19 LEU CA C 19 56.420 56.420 55.391 1.029 19643 1475 1 5 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.991 0.178 19643 1476 1 5 . 1 1 20 20 GLY N N 20 106.101 106.101 114.828 -8.727 19643 1477 1 5 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.507 1.855 19643 1478 1 5 . 1 1 21 21 PHE N N 21 117.144 117.144 117.912 -0.768 19643 1479 1 5 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.850 0.296 19643 1480 1 5 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.772 0.549 19643 1481 1 5 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.507 0.209 19643 1482 1 5 . 1 1 22 22 SER N N 22 113.822 113.822 114.987 -1.165 19643 1483 1 5 . 1 1 22 22 SER HA H 22 5.765 5.765 4.653 1.112 19643 1484 1 5 . 1 1 22 22 SER CA C 22 56.474 56.474 57.547 -1.073 19643 1485 1 5 . 1 1 22 22 SER CB C 22 65.095 65.095 65.354 -0.259 19643 1486 1 5 . 1 1 23 23 ILE N N 23 114.674 114.674 120.435 -5.761 19643 1487 1 5 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.647 1.099 19643 1488 1 5 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.465 -1.181 19643 1489 1 5 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.316 3.362 19643 1490 1 5 . 1 1 24 24 ALA N N 24 123.084 123.084 128.625 -5.541 19643 1491 1 5 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.771 0.270 19643 1492 1 5 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.031 -1.464 19643 1493 1 5 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.200 3.564 19643 1494 1 5 . 1 1 25 25 GLY N N 25 106.991 106.991 108.702 -1.711 19643 1495 1 5 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.175 0.729 19643 1496 1 5 . 1 1 26 26 GLY N N 26 108.474 108.474 106.463 2.011 19643 1497 1 5 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.212 -1.679 19643 1498 1 5 . 1 1 27 27 THR N N 27 113.603 113.603 114.676 -1.073 19643 1499 1 5 . 1 1 27 27 THR HA H 27 3.844 3.844 4.376 -0.532 19643 1500 1 5 . 1 1 27 27 THR CA C 27 64.151 64.151 63.581 0.570 19643 1501 1 5 . 1 1 27 27 THR CB C 27 67.979 67.979 70.064 -2.086 19643 1502 1 5 . 1 1 28 28 ASP N N 28 116.979 116.979 120.313 -3.334 19643 1503 1 5 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.678 -0.157 19643 1504 1 5 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.694 -2.696 19643 1505 1 5 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.211 -2.013 19643 1506 1 5 . 1 1 29 29 ASN N N 29 119.889 119.889 119.502 0.387 19643 1507 1 5 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.116 -0.239 19643 1508 1 5 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.575 1.211 19643 1509 1 5 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.167 2.121 19643 1510 1 5 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.560 0.028 19643 1511 1 5 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.689 1.694 19643 1512 1 5 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.917 -1.192 19643 1513 1 5 . 1 1 31 31 HIS N N 31 122.889 122.889 117.906 4.983 19643 1514 1 5 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.725 -0.019 19643 1515 1 5 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.055 -0.976 19643 1516 1 5 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.612 0.036 19643 1517 1 5 . 1 1 32 32 ILE N N 32 115.082 115.082 119.743 -4.661 19643 1518 1 5 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.422 -0.426 19643 1519 1 5 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.828 -2.763 19643 1520 1 5 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.953 1.280 19643 1521 1 5 . 1 1 33 33 GLY N N 33 114.196 114.196 109.066 5.130 19643 1522 1 5 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.221 1.987 19643 1523 1 5 . 1 1 34 34 ASP N N 34 124.358 124.358 120.759 3.599 19643 1524 1 5 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.802 -0.215 19643 1525 1 5 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.823 -1.207 19643 1526 1 5 . 1 1 34 34 ASP CB C 34 40.651 40.651 42.166 -1.515 19643 1527 1 5 . 1 1 35 35 ASP N N 35 123.575 123.575 122.093 1.482 19643 1528 1 5 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.953 -0.176 19643 1529 1 5 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.023 0.513 19643 1530 1 5 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.314 -0.406 19643 1531 1 5 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.697 -0.203 19643 1532 1 5 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.230 0.090 19643 1533 1 5 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.447 0.498 19643 1534 1 5 . 1 1 37 37 SER N N 37 117.452 117.452 114.534 2.918 19643 1535 1 5 . 1 1 37 37 SER HA H 37 4.077 4.077 4.532 -0.455 19643 1536 1 5 . 1 1 37 37 SER CA C 37 60.109 60.109 57.311 2.798 19643 1537 1 5 . 1 1 37 37 SER CB C 37 63.043 63.043 64.196 -1.153 19643 1538 1 5 . 1 1 38 38 ILE N N 38 123.464 123.464 121.758 1.706 19643 1539 1 5 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.593 0.085 19643 1540 1 5 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.449 -1.958 19643 1541 1 5 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.245 -1.340 19643 1542 1 5 . 1 1 39 39 PHE N N 39 124.567 124.567 128.366 -3.799 19643 1543 1 5 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.917 0.425 19643 1544 1 5 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.449 1.124 19643 1545 1 5 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.336 0.759 19643 1546 1 5 . 1 1 40 40 ILE N N 40 119.768 119.768 123.491 -3.723 19643 1547 1 5 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.205 0.396 19643 1548 1 5 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.209 0.087 19643 1549 1 5 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.136 -0.103 19643 1550 1 5 . 1 1 41 41 THR N N 41 118.591 118.591 117.580 1.011 19643 1551 1 5 . 1 1 41 41 THR HA H 41 4.530 4.530 4.289 0.241 19643 1552 1 5 . 1 1 41 41 THR CA C 41 62.101 62.101 62.280 -0.179 19643 1553 1 5 . 1 1 41 41 THR CB C 41 68.728 68.728 70.121 -1.393 19643 1554 1 5 . 1 1 42 42 LYS N N 42 121.511 121.511 123.334 -1.823 19643 1555 1 5 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.598 -0.325 19643 1556 1 5 . 1 1 42 42 LYS CA C 42 56.565 56.565 54.775 1.790 19643 1557 1 5 . 1 1 42 42 LYS CB C 42 36.076 36.076 33.422 2.654 19643 1558 1 5 . 1 1 43 43 ILE N N 43 126.187 126.187 126.280 -0.093 19643 1559 1 5 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.372 -0.082 19643 1560 1 5 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.181 1.741 19643 1561 1 5 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.202 -1.019 19643 1562 1 5 . 1 1 44 44 ILE N N 44 128.532 128.532 129.614 -1.082 19643 1563 1 5 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.355 -0.201 19643 1564 1 5 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.194 -0.175 19643 1565 1 5 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.995 0.221 19643 1566 1 5 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.385 -0.204 19643 1567 1 5 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.421 -0.308 19643 1568 1 5 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.882 -0.497 19643 1569 1 5 . 1 1 46 46 GLY N N 46 111.733 111.733 106.800 4.933 19643 1570 1 5 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.417 0.946 19643 1571 1 5 . 1 1 47 47 GLY N N 47 106.686 106.686 108.423 -1.737 19643 1572 1 5 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.700 0.951 19643 1573 1 5 . 1 1 48 48 ALA N N 48 120.883 120.883 121.709 -0.826 19643 1574 1 5 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.335 -0.307 19643 1575 1 5 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.534 1.049 19643 1576 1 5 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.198 -1.244 19643 1577 1 5 . 1 1 49 49 ALA N N 49 119.457 119.457 120.187 -0.730 19643 1578 1 5 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.141 0.037 19643 1579 1 5 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.283 0.524 19643 1580 1 5 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.096 0.778 19643 1581 1 5 . 1 1 50 50 ALA N N 50 127.017 127.017 119.626 7.391 19643 1582 1 5 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.391 -0.478 19643 1583 1 5 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.628 1.276 19643 1584 1 5 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.810 -0.022 19643 1585 1 5 . 1 1 51 51 GLN N N 51 117.131 117.131 117.876 -0.745 19643 1586 1 5 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.297 -0.396 19643 1587 1 5 . 1 1 51 51 GLN CA C 51 58.538 58.538 58.032 0.506 19643 1588 1 5 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.387 -0.689 19643 1589 1 5 . 1 1 52 52 ASP N N 52 118.091 118.091 118.271 -0.180 19643 1590 1 5 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.695 -0.334 19643 1591 1 5 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.439 1.461 19643 1592 1 5 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.833 1.878 19643 1593 1 5 . 1 1 53 53 GLY N N 53 102.763 102.763 107.336 -4.573 19643 1594 1 5 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.187 1.178 19643 1595 1 5 . 1 1 54 54 ARG N N 54 119.861 119.861 118.423 1.438 19643 1596 1 5 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.938 0.235 19643 1597 1 5 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.097 2.277 19643 1598 1 5 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.155 5.151 19643 1599 1 5 . 1 1 55 55 LEU N N 55 120.459 120.459 121.082 -0.623 19643 1600 1 5 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.639 -0.871 19643 1601 1 5 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.934 1.304 19643 1602 1 5 . 1 1 55 55 LEU CB C 55 43.340 43.340 43.901 -0.561 19643 1603 1 5 . 1 1 56 56 ARG N N 56 122.213 122.213 124.852 -2.639 19643 1604 1 5 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.576 -0.136 19643 1605 1 5 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.866 -1.657 19643 1606 1 5 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.994 0.836 19643 1607 1 5 . 1 1 57 57 VAL N N 57 120.461 120.461 119.447 1.014 19643 1608 1 5 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.687 -0.535 19643 1609 1 5 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.949 0.575 19643 1610 1 5 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.753 -0.592 19643 1611 1 5 . 1 1 58 58 ASN N N 58 120.800 120.800 114.928 5.872 19643 1612 1 5 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.663 -0.373 19643 1613 1 5 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.565 2.783 19643 1614 1 5 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.413 -1.420 19643 1615 1 5 . 1 1 59 59 ASP N N 59 122.628 122.628 119.030 3.598 19643 1616 1 5 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.638 -0.085 19643 1617 1 5 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.732 0.679 19643 1618 1 5 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.267 -1.567 19643 1619 1 5 . 1 1 60 60 SER N N 60 115.152 115.152 112.865 2.287 19643 1620 1 5 . 1 1 60 60 SER HA H 60 5.391 5.391 4.098 1.294 19643 1621 1 5 . 1 1 60 60 SER CA C 60 55.105 55.105 59.088 -3.983 19643 1622 1 5 . 1 1 60 60 SER CB C 60 65.259 65.259 63.305 1.954 19643 1623 1 5 . 1 1 61 61 ILE N N 61 123.216 123.216 122.859 0.357 19643 1624 1 5 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.242 -0.334 19643 1625 1 5 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.710 -0.246 19643 1626 1 5 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.845 1.233 19643 1627 1 5 . 1 1 62 62 LEU N N 62 126.711 126.711 124.938 1.773 19643 1628 1 5 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.510 -0.310 19643 1629 1 5 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.453 0.194 19643 1630 1 5 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.193 -0.063 19643 1631 1 5 . 1 1 63 63 PHE N N 63 111.486 111.486 116.643 -5.157 19643 1632 1 5 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.091 0.352 19643 1633 1 5 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.977 -0.852 19643 1634 1 5 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.539 1.696 19643 1635 1 5 . 1 1 64 64 VAL N N 64 120.758 120.758 120.809 -0.051 19643 1636 1 5 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.722 -0.413 19643 1637 1 5 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.787 -0.223 19643 1638 1 5 . 1 1 64 64 VAL CB C 64 33.036 33.036 32.846 0.190 19643 1639 1 5 . 1 1 65 65 ASN N N 65 126.150 126.150 125.795 0.355 19643 1640 1 5 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.249 -0.024 19643 1641 1 5 . 1 1 65 65 ASN CA C 65 56.045 56.045 56.742 -0.697 19643 1642 1 5 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.781 -1.533 19643 1643 1 5 . 1 1 67 67 VAL N N 67 124.346 124.346 118.938 5.408 19643 1644 1 5 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.775 -0.958 19643 1645 1 5 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.119 3.323 19643 1646 1 5 . 1 1 67 67 VAL CB C 67 32.045 32.045 34.096 -2.051 19643 1647 1 5 . 1 1 68 68 ASP N N 68 127.980 127.980 121.758 6.222 19643 1648 1 5 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.338 -0.367 19643 1649 1 5 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.521 -0.436 19643 1650 1 5 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.242 0.927 19643 1651 1 5 . 1 1 69 69 VAL N N 69 120.432 120.432 118.153 2.279 19643 1652 1 5 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.105 0.532 19643 1653 1 5 . 1 1 69 69 VAL CA C 69 58.985 58.985 63.174 -4.189 19643 1654 1 5 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.611 -2.718 19643 1655 1 5 . 1 1 70 70 ARG N N 70 122.630 122.630 120.006 2.624 19643 1656 1 5 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.883 0.249 19643 1657 1 5 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.605 1.163 19643 1658 1 5 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.725 0.846 19643 1659 1 5 . 1 1 71 71 GLU N N 71 120.164 120.164 119.087 1.077 19643 1660 1 5 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.492 -0.199 19643 1661 1 5 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.667 -1.013 19643 1662 1 5 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.550 -0.220 19643 1663 1 5 . 1 1 72 72 VAL N N 72 118.241 118.241 118.865 -0.624 19643 1664 1 5 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.609 0.195 19643 1665 1 5 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.291 -0.943 19643 1666 1 5 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.473 0.514 19643 1667 1 5 . 1 1 73 73 THR N N 73 109.907 109.907 110.696 -0.789 19643 1668 1 5 . 1 1 73 73 THR HA H 73 4.311 4.311 4.601 -0.290 19643 1669 1 5 . 1 1 73 73 THR CA C 73 61.446 61.446 61.460 -0.014 19643 1670 1 5 . 1 1 73 73 THR CB C 73 70.324 70.324 70.726 -0.402 19643 1671 1 5 . 1 1 74 74 HIS N N 74 122.235 122.235 119.730 2.505 19643 1672 1 5 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.138 -0.256 19643 1673 1 5 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.910 1.759 19643 1674 1 5 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.751 -0.228 19643 1675 1 5 . 1 1 75 75 SER N N 75 111.076 111.076 115.862 -4.786 19643 1676 1 5 . 1 1 75 75 SER HA H 75 3.962 3.962 3.978 -0.016 19643 1677 1 5 . 1 1 75 75 SER CA C 75 61.889 61.889 60.347 1.542 19643 1678 1 5 . 1 1 75 75 SER CB C 75 62.708 62.708 62.651 0.057 19643 1679 1 5 . 1 1 76 76 ALA N N 76 125.241 125.241 122.993 2.248 19643 1680 1 5 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.307 -0.243 19643 1681 1 5 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.463 1.533 19643 1682 1 5 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.513 -0.151 19643 1683 1 5 . 1 1 77 77 ALA N N 77 123.063 123.063 120.708 2.355 19643 1684 1 5 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.409 -0.609 19643 1685 1 5 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.988 1.496 19643 1686 1 5 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.312 -1.330 19643 1687 1 5 . 1 1 78 78 VAL N N 78 117.348 117.348 118.373 -1.025 19643 1688 1 5 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.743 -0.627 19643 1689 1 5 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.742 1.553 19643 1690 1 5 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.205 0.491 19643 1691 1 5 . 1 1 79 79 GLU N N 79 119.021 119.021 119.606 -0.585 19643 1692 1 5 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.017 -0.145 19643 1693 1 5 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.273 -0.033 19643 1694 1 5 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.247 -0.158 19643 1695 1 5 . 1 1 80 80 ALA N N 80 120.115 120.115 120.516 -0.401 19643 1696 1 5 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.282 -0.314 19643 1697 1 5 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.092 0.621 19643 1698 1 5 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.730 -1.674 19643 1699 1 5 . 1 1 81 81 LEU N N 81 116.561 116.561 117.050 -0.489 19643 1700 1 5 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.259 -0.458 19643 1701 1 5 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.619 1.676 19643 1702 1 5 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.410 -0.788 19643 1703 1 5 . 1 1 82 82 LYS N N 82 121.600 121.600 117.361 4.239 19643 1704 1 5 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.153 -0.189 19643 1705 1 5 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.568 1.282 19643 1706 1 5 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.977 -0.115 19643 1707 1 5 . 1 1 83 83 GLU N N 83 115.395 115.395 118.151 -2.756 19643 1708 1 5 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.261 0.048 19643 1709 1 5 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.129 -1.003 19643 1710 1 5 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.791 -0.938 19643 1711 1 5 . 1 1 84 84 ALA N N 84 119.693 119.693 121.754 -2.061 19643 1712 1 5 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.194 -0.079 19643 1713 1 5 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.626 -0.230 19643 1714 1 5 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.670 1.856 19643 1715 1 5 . 1 1 85 85 GLY N N 85 104.439 104.439 105.785 -1.346 19643 1716 1 5 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.514 -1.748 19643 1717 1 5 . 1 1 86 86 SER N N 86 115.110 115.110 112.779 2.331 19643 1718 1 5 . 1 1 86 86 SER HA H 86 4.129 4.129 4.550 -0.421 19643 1719 1 5 . 1 1 86 86 SER CA C 86 61.282 61.282 58.735 2.547 19643 1720 1 5 . 1 1 86 86 SER CB C 86 63.430 63.430 64.376 -0.946 19643 1721 1 5 . 1 1 87 87 ILE N N 87 120.535 120.535 123.934 -3.399 19643 1722 1 5 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.764 -0.121 19643 1723 1 5 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.634 0.320 19643 1724 1 5 . 1 1 87 87 ILE CB C 87 38.233 38.233 40.489 -2.256 19643 1725 1 5 . 1 1 88 88 VAL N N 88 127.851 127.851 123.697 4.154 19643 1726 1 5 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.642 -0.384 19643 1727 1 5 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.094 1.640 19643 1728 1 5 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.893 -0.679 19643 1729 1 5 . 1 1 89 89 ARG N N 89 127.712 127.712 127.520 0.192 19643 1730 1 5 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.083 -0.292 19643 1731 1 5 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.993 -0.217 19643 1732 1 5 . 1 1 89 89 ARG CB C 89 30.802 30.802 32.519 -1.717 19643 1733 1 5 . 1 1 90 90 LEU N N 90 127.483 127.483 123.197 4.286 19643 1734 1 5 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.038 0.093 19643 1735 1 5 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.965 -1.051 19643 1736 1 5 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.810 -0.703 19643 1737 1 5 . 1 1 91 91 TYR N N 91 125.830 125.830 124.719 1.111 19643 1738 1 5 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.463 -0.114 19643 1739 1 5 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.840 1.111 19643 1740 1 5 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.514 -0.268 19643 1741 1 5 . 1 1 92 92 VAL N N 92 121.091 121.091 121.150 -0.059 19643 1742 1 5 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.012 0.462 19643 1743 1 5 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.846 -0.434 19643 1744 1 5 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.116 0.241 19643 1745 1 5 . 1 1 93 93 MET N N 93 118.712 118.712 119.435 -0.723 19643 1746 1 5 . 1 1 93 93 MET HA H 93 5.103 5.103 4.699 0.404 19643 1747 1 5 . 1 1 93 93 MET CA C 93 53.151 53.151 54.679 -1.528 19643 1748 1 5 . 1 1 93 93 MET CB C 93 36.981 36.981 35.197 1.784 19643 1749 1 5 . 1 1 94 94 ARG N N 94 122.359 122.359 122.532 -0.173 19643 1750 1 5 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.674 0.166 19643 1751 1 5 . 1 1 94 94 ARG CA C 94 54.005 54.005 55.114 -1.109 19643 1752 1 5 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.460 -0.325 19643 1753 1 5 . 1 1 95 95 ARG N N 95 120.747 120.747 123.571 -2.824 19643 1754 1 5 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.348 0.268 19643 1755 1 5 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.404 0.144 19643 1756 1 5 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.471 -0.660 19643 1757 1 5 . 1 1 96 96 LYS N N 96 125.436 125.436 125.003 0.433 19643 1758 1 5 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.434 -0.070 19643 1759 1 5 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.282 -0.771 19643 1760 1 5 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.816 0.959 19643 1761 1 6 . 1 1 2 2 ALA N N 2 123.610 123.610 128.197 -4.587 19643 1762 1 6 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.809 -0.520 19643 1763 1 6 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.591 1.099 19643 1764 1 6 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.183 -0.810 19643 1765 1 6 . 1 1 3 3 MET N N 3 119.242 119.242 122.991 -3.749 19643 1766 1 6 . 1 1 3 3 MET HA H 3 4.422 4.422 4.701 -0.279 19643 1767 1 6 . 1 1 3 3 MET CA C 3 55.333 55.333 55.097 0.236 19643 1768 1 6 . 1 1 3 3 MET CB C 3 32.744 32.744 34.020 -1.276 19643 1769 1 6 . 1 1 4 4 GLU N N 4 122.309 122.309 122.836 -0.527 19643 1770 1 6 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.552 -0.252 19643 1771 1 6 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.450 0.956 19643 1772 1 6 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.073 -0.351 19643 1773 1 6 . 1 1 5 5 MET N N 5 120.131 120.131 120.236 -0.105 19643 1774 1 6 . 1 1 5 5 MET HA H 5 4.911 4.911 4.451 0.460 19643 1775 1 6 . 1 1 5 5 MET CA C 5 53.780 53.780 55.314 -1.534 19643 1776 1 6 . 1 1 5 5 MET CB C 5 34.203 34.203 32.777 1.426 19643 1777 1 6 . 1 1 6 6 GLU N N 6 121.438 121.438 121.311 0.127 19643 1778 1 6 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.745 -0.240 19643 1779 1 6 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.419 -1.064 19643 1780 1 6 . 1 1 6 6 GLU CB C 6 33.034 33.034 30.611 2.422 19643 1781 1 6 . 1 1 7 7 TYR N N 7 121.043 121.043 124.019 -2.976 19643 1782 1 6 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.024 0.352 19643 1783 1 6 . 1 1 7 7 TYR CA C 7 56.096 56.096 56.998 -0.902 19643 1784 1 6 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.541 0.770 19643 1785 1 6 . 1 1 8 8 GLU N N 8 121.986 121.986 123.103 -1.117 19643 1786 1 6 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.813 -0.427 19643 1787 1 6 . 1 1 8 8 GLU CA C 8 56.085 56.085 55.146 0.939 19643 1788 1 6 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.482 0.428 19643 1789 1 6 . 1 1 9 9 GLU N N 9 125.727 125.727 124.158 1.569 19643 1790 1 6 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.123 0.015 19643 1791 1 6 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.617 -0.812 19643 1792 1 6 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.176 0.936 19643 1793 1 6 . 1 1 10 10 ILE N N 10 130.210 130.210 127.506 2.704 19643 1794 1 6 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.499 -0.556 19643 1795 1 6 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.334 0.858 19643 1796 1 6 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.247 1.366 19643 1797 1 6 . 1 1 11 11 THR N N 11 124.067 124.067 119.694 4.373 19643 1798 1 6 . 1 1 11 11 THR HA H 11 5.212 5.212 4.656 0.556 19643 1799 1 6 . 1 1 11 11 THR CA C 11 61.750 61.750 61.399 0.351 19643 1800 1 6 . 1 1 11 11 THR CB C 11 69.466 69.466 69.746 -0.280 19643 1801 1 6 . 1 1 12 12 LEU N N 12 125.136 125.136 124.324 0.812 19643 1802 1 6 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.838 -0.132 19643 1803 1 6 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.731 -1.229 19643 1804 1 6 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.792 0.536 19643 1805 1 6 . 1 1 13 13 GLU N N 13 121.986 121.986 120.855 1.131 19643 1806 1 6 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.933 -0.026 19643 1807 1 6 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.205 -0.940 19643 1808 1 6 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.885 -0.606 19643 1809 1 6 . 1 1 14 14 ARG N N 14 125.922 125.922 125.550 0.372 19643 1810 1 6 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.374 -0.831 19643 1811 1 6 . 1 1 14 14 ARG CA C 14 58.078 58.078 55.161 2.917 19643 1812 1 6 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.417 1.155 19643 1813 1 6 . 1 1 15 15 GLY N N 15 113.035 113.035 115.911 -2.876 19643 1814 1 6 . 1 1 15 15 GLY CA C 15 44.108 44.108 45.728 -1.620 19643 1815 1 6 . 1 1 16 16 ASN N N 16 120.641 120.641 118.196 2.445 19643 1816 1 6 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.679 -0.277 19643 1817 1 6 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.452 1.429 19643 1818 1 6 . 1 1 16 16 ASN CB C 16 38.063 38.063 39.072 -1.008 19643 1819 1 6 . 1 1 17 17 SER N N 17 111.943 111.943 114.190 -2.247 19643 1820 1 6 . 1 1 17 17 SER HA H 17 4.598 4.598 4.573 0.025 19643 1821 1 6 . 1 1 17 17 SER CA C 17 56.829 56.829 58.754 -1.925 19643 1822 1 6 . 1 1 17 17 SER CB C 17 63.185 63.185 64.309 -1.124 19643 1823 1 6 . 1 1 18 18 GLY N N 18 108.890 108.890 109.378 -0.488 19643 1824 1 6 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.655 -0.012 19643 1825 1 6 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.052 0.136 19643 1826 1 6 . 1 1 19 19 LEU CA C 19 56.420 56.420 54.719 1.701 19643 1827 1 6 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.437 0.732 19643 1828 1 6 . 1 1 20 20 GLY N N 20 106.101 106.101 112.594 -6.493 19643 1829 1 6 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.733 1.629 19643 1830 1 6 . 1 1 21 21 PHE N N 21 117.144 117.144 117.803 -0.659 19643 1831 1 6 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.921 0.225 19643 1832 1 6 . 1 1 21 21 PHE CA C 21 56.321 56.321 56.202 0.119 19643 1833 1 6 . 1 1 21 21 PHE CB C 21 40.716 40.716 41.174 -0.458 19643 1834 1 6 . 1 1 22 22 SER N N 22 113.822 113.822 115.681 -1.859 19643 1835 1 6 . 1 1 22 22 SER HA H 22 5.765 5.765 4.778 0.987 19643 1836 1 6 . 1 1 22 22 SER CA C 22 56.474 56.474 57.329 -0.855 19643 1837 1 6 . 1 1 22 22 SER CB C 22 65.095 65.095 66.029 -0.934 19643 1838 1 6 . 1 1 23 23 ILE N N 23 114.674 114.674 119.974 -5.300 19643 1839 1 6 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.719 1.027 19643 1840 1 6 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.466 -1.182 19643 1841 1 6 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.873 3.805 19643 1842 1 6 . 1 1 24 24 ALA N N 24 123.084 123.084 128.824 -5.740 19643 1843 1 6 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.794 0.247 19643 1844 1 6 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.954 -1.387 19643 1845 1 6 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.387 3.377 19643 1846 1 6 . 1 1 25 25 GLY N N 25 106.991 106.991 108.719 -1.728 19643 1847 1 6 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.450 0.454 19643 1848 1 6 . 1 1 26 26 GLY N N 26 108.474 108.474 105.622 2.852 19643 1849 1 6 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.309 -1.776 19643 1850 1 6 . 1 1 27 27 THR N N 27 113.603 113.603 111.985 1.618 19643 1851 1 6 . 1 1 27 27 THR HA H 27 3.844 3.844 4.717 -0.873 19643 1852 1 6 . 1 1 27 27 THR CA C 27 64.151 64.151 62.793 1.358 19643 1853 1 6 . 1 1 27 27 THR CB C 27 67.979 67.979 70.275 -2.296 19643 1854 1 6 . 1 1 28 28 ASP N N 28 116.979 116.979 120.158 -3.179 19643 1855 1 6 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.679 -0.158 19643 1856 1 6 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.535 -2.538 19643 1857 1 6 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.591 -2.393 19643 1858 1 6 . 1 1 29 29 ASN N N 29 119.889 119.889 119.466 0.423 19643 1859 1 6 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.023 -0.146 19643 1860 1 6 . 1 1 29 29 ASN CA C 29 52.786 52.786 50.963 1.823 19643 1861 1 6 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.700 1.588 19643 1862 1 6 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.604 -0.016 19643 1863 1 6 . 1 1 30 30 PRO CA C 30 64.383 64.383 63.184 1.199 19643 1864 1 6 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.481 -0.756 19643 1865 1 6 . 1 1 31 31 HIS N N 31 122.889 122.889 121.506 1.383 19643 1866 1 6 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.489 0.217 19643 1867 1 6 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.898 -1.819 19643 1868 1 6 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.506 -0.858 19643 1869 1 6 . 1 1 32 32 ILE N N 32 115.082 115.082 115.694 -0.612 19643 1870 1 6 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.419 -0.423 19643 1871 1 6 . 1 1 32 32 ILE CA C 32 59.065 59.065 60.844 -1.779 19643 1872 1 6 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.753 1.480 19643 1873 1 6 . 1 1 33 33 GLY N N 33 114.196 114.196 107.378 6.818 19643 1874 1 6 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.660 1.548 19643 1875 1 6 . 1 1 34 34 ASP N N 34 124.358 124.358 120.106 4.252 19643 1876 1 6 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.532 0.055 19643 1877 1 6 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.044 -2.428 19643 1878 1 6 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.024 0.627 19643 1879 1 6 . 1 1 35 35 ASP N N 35 123.575 123.575 120.568 3.007 19643 1880 1 6 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.758 0.019 19643 1881 1 6 . 1 1 35 35 ASP CA C 35 51.535 51.535 53.758 -2.223 19643 1882 1 6 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.285 -0.377 19643 1883 1 6 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.500 -0.006 19643 1884 1 6 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.644 -0.324 19643 1885 1 6 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.406 0.539 19643 1886 1 6 . 1 1 37 37 SER N N 37 117.452 117.452 113.986 3.466 19643 1887 1 6 . 1 1 37 37 SER HA H 37 4.077 4.077 4.478 -0.401 19643 1888 1 6 . 1 1 37 37 SER CA C 37 60.109 60.109 56.947 3.162 19643 1889 1 6 . 1 1 37 37 SER CB C 37 63.043 63.043 64.794 -1.751 19643 1890 1 6 . 1 1 38 38 ILE N N 38 123.464 123.464 120.285 3.179 19643 1891 1 6 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.382 0.296 19643 1892 1 6 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.154 -1.663 19643 1893 1 6 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.558 -1.653 19643 1894 1 6 . 1 1 39 39 PHE N N 39 124.567 124.567 124.950 -0.383 19643 1895 1 6 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.815 0.527 19643 1896 1 6 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.917 0.656 19643 1897 1 6 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.158 0.937 19643 1898 1 6 . 1 1 40 40 ILE N N 40 119.768 119.768 119.277 0.491 19643 1899 1 6 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.435 0.166 19643 1900 1 6 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.230 0.067 19643 1901 1 6 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.113 -0.080 19643 1902 1 6 . 1 1 41 41 THR N N 41 118.591 118.591 115.320 3.271 19643 1903 1 6 . 1 1 41 41 THR HA H 41 4.530 4.530 4.514 0.016 19643 1904 1 6 . 1 1 41 41 THR CA C 41 62.101 62.101 61.762 0.339 19643 1905 1 6 . 1 1 41 41 THR CB C 41 68.728 68.728 70.936 -2.208 19643 1906 1 6 . 1 1 42 42 LYS N N 42 121.511 121.511 123.385 -1.874 19643 1907 1 6 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.658 -0.385 19643 1908 1 6 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.636 0.929 19643 1909 1 6 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.839 1.237 19643 1910 1 6 . 1 1 43 43 ILE N N 43 126.187 126.187 124.135 2.052 19643 1911 1 6 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.462 -0.172 19643 1912 1 6 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.195 1.727 19643 1913 1 6 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.582 -1.399 19643 1914 1 6 . 1 1 44 44 ILE N N 44 128.532 128.532 129.301 -0.769 19643 1915 1 6 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.402 -0.248 19643 1916 1 6 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.028 -0.009 19643 1917 1 6 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.970 0.246 19643 1918 1 6 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.385 -0.204 19643 1919 1 6 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.434 -0.322 19643 1920 1 6 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.898 -0.513 19643 1921 1 6 . 1 1 46 46 GLY N N 46 111.733 111.733 106.977 4.756 19643 1922 1 6 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.838 0.525 19643 1923 1 6 . 1 1 47 47 GLY N N 47 106.686 106.686 108.742 -2.056 19643 1924 1 6 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.825 0.826 19643 1925 1 6 . 1 1 48 48 ALA N N 48 120.883 120.883 121.956 -1.073 19643 1926 1 6 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.287 -0.259 19643 1927 1 6 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.334 1.250 19643 1928 1 6 . 1 1 48 48 ALA CB C 48 17.954 17.954 18.843 -0.889 19643 1929 1 6 . 1 1 49 49 ALA N N 49 119.457 119.457 120.146 -0.689 19643 1930 1 6 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.042 0.136 19643 1931 1 6 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.256 0.552 19643 1932 1 6 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.085 0.789 19643 1933 1 6 . 1 1 50 50 ALA N N 50 127.017 127.017 119.832 7.185 19643 1934 1 6 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.412 -0.498 19643 1935 1 6 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.724 1.180 19643 1936 1 6 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.780 0.008 19643 1937 1 6 . 1 1 51 51 GLN N N 51 117.131 117.131 117.972 -0.841 19643 1938 1 6 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.293 -0.392 19643 1939 1 6 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.975 0.563 19643 1940 1 6 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.422 -0.723 19643 1941 1 6 . 1 1 52 52 ASP N N 52 118.091 118.091 119.371 -1.280 19643 1942 1 6 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.629 -0.268 19643 1943 1 6 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.701 1.199 19643 1944 1 6 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.237 2.474 19643 1945 1 6 . 1 1 53 53 GLY N N 53 102.763 102.763 107.495 -4.732 19643 1946 1 6 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.435 0.930 19643 1947 1 6 . 1 1 54 54 ARG N N 54 119.861 119.861 117.424 2.437 19643 1948 1 6 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.023 0.150 19643 1949 1 6 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.992 2.383 19643 1950 1 6 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.418 5.888 19643 1951 1 6 . 1 1 55 55 LEU N N 55 120.459 120.459 121.314 -0.855 19643 1952 1 6 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.660 -0.892 19643 1953 1 6 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.038 1.200 19643 1954 1 6 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.188 -0.848 19643 1955 1 6 . 1 1 56 56 ARG N N 56 122.213 122.213 125.015 -2.802 19643 1956 1 6 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.548 -0.108 19643 1957 1 6 . 1 1 56 56 ARG CA C 56 53.209 53.209 55.109 -1.900 19643 1958 1 6 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.941 0.889 19643 1959 1 6 . 1 1 57 57 VAL N N 57 120.461 120.461 122.251 -1.790 19643 1960 1 6 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.823 -0.671 19643 1961 1 6 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.871 0.653 19643 1962 1 6 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.200 -1.039 19643 1963 1 6 . 1 1 58 58 ASN N N 58 120.800 120.800 113.431 7.369 19643 1964 1 6 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.668 -0.378 19643 1965 1 6 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.480 2.869 19643 1966 1 6 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.193 -1.200 19643 1967 1 6 . 1 1 59 59 ASP N N 59 122.628 122.628 118.863 3.765 19643 1968 1 6 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.663 -0.110 19643 1969 1 6 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.569 0.842 19643 1970 1 6 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.122 -1.422 19643 1971 1 6 . 1 1 60 60 SER N N 60 115.152 115.152 112.375 2.777 19643 1972 1 6 . 1 1 60 60 SER HA H 60 5.391 5.391 4.122 1.269 19643 1973 1 6 . 1 1 60 60 SER CA C 60 55.105 55.105 58.286 -3.181 19643 1974 1 6 . 1 1 60 60 SER CB C 60 65.259 65.259 63.408 1.851 19643 1975 1 6 . 1 1 61 61 ILE N N 61 123.216 123.216 125.082 -1.866 19643 1976 1 6 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.215 -0.307 19643 1977 1 6 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.822 -0.358 19643 1978 1 6 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.062 1.016 19643 1979 1 6 . 1 1 62 62 LEU N N 62 126.711 126.711 124.911 1.800 19643 1980 1 6 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.502 -0.302 19643 1981 1 6 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.201 0.446 19643 1982 1 6 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.238 -0.108 19643 1983 1 6 . 1 1 63 63 PHE N N 63 111.486 111.486 117.126 -5.640 19643 1984 1 6 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.150 0.293 19643 1985 1 6 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.941 -0.817 19643 1986 1 6 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.635 1.600 19643 1987 1 6 . 1 1 64 64 VAL N N 64 120.758 120.758 115.731 5.027 19643 1988 1 6 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.908 -0.599 19643 1989 1 6 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.259 0.305 19643 1990 1 6 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.233 -1.197 19643 1991 1 6 . 1 1 65 65 ASN N N 65 126.150 126.150 122.820 3.330 19643 1992 1 6 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.407 -0.182 19643 1993 1 6 . 1 1 65 65 ASN CA C 65 56.045 56.045 56.701 -0.656 19643 1994 1 6 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.521 -1.273 19643 1995 1 6 . 1 1 67 67 VAL N N 67 124.346 124.346 118.819 5.527 19643 1996 1 6 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.754 -0.937 19643 1997 1 6 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.303 3.139 19643 1998 1 6 . 1 1 67 67 VAL CB C 67 32.045 32.045 34.104 -2.059 19643 1999 1 6 . 1 1 68 68 ASP N N 68 127.980 127.980 123.847 4.133 19643 2000 1 6 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.429 -0.458 19643 2001 1 6 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.991 -0.906 19643 2002 1 6 . 1 1 68 68 ASP CB C 68 41.169 41.169 41.715 -0.546 19643 2003 1 6 . 1 1 69 69 VAL N N 69 120.432 120.432 121.484 -1.052 19643 2004 1 6 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.235 0.402 19643 2005 1 6 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.387 -3.402 19643 2006 1 6 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.952 -3.058 19643 2007 1 6 . 1 1 70 70 ARG N N 70 122.630 122.630 119.660 2.970 19643 2008 1 6 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.896 0.236 19643 2009 1 6 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.243 1.525 19643 2010 1 6 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.656 0.915 19643 2011 1 6 . 1 1 71 71 GLU N N 71 120.164 120.164 120.091 0.073 19643 2012 1 6 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.514 -0.221 19643 2013 1 6 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.703 -1.049 19643 2014 1 6 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.803 -0.473 19643 2015 1 6 . 1 1 72 72 VAL N N 72 118.241 118.241 119.167 -0.926 19643 2016 1 6 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.582 0.222 19643 2017 1 6 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.957 -1.609 19643 2018 1 6 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.607 0.380 19643 2019 1 6 . 1 1 73 73 THR N N 73 109.907 109.907 109.952 -0.045 19643 2020 1 6 . 1 1 73 73 THR HA H 73 4.311 4.311 4.712 -0.401 19643 2021 1 6 . 1 1 73 73 THR CA C 73 61.446 61.446 60.612 0.834 19643 2022 1 6 . 1 1 73 73 THR CB C 73 70.324 70.324 70.715 -0.391 19643 2023 1 6 . 1 1 74 74 HIS N N 74 122.235 122.235 118.784 3.451 19643 2024 1 6 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.178 -0.296 19643 2025 1 6 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.373 2.296 19643 2026 1 6 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.900 -0.377 19643 2027 1 6 . 1 1 75 75 SER N N 75 111.076 111.076 116.739 -5.663 19643 2028 1 6 . 1 1 75 75 SER HA H 75 3.962 3.962 4.013 -0.051 19643 2029 1 6 . 1 1 75 75 SER CA C 75 61.889 61.889 60.654 1.235 19643 2030 1 6 . 1 1 75 75 SER CB C 75 62.708 62.708 62.669 0.039 19643 2031 1 6 . 1 1 76 76 ALA N N 76 125.241 125.241 121.540 3.701 19643 2032 1 6 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.215 -0.151 19643 2033 1 6 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.877 1.119 19643 2034 1 6 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.465 -0.103 19643 2035 1 6 . 1 1 77 77 ALA N N 77 123.063 123.063 120.258 2.805 19643 2036 1 6 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.374 -0.574 19643 2037 1 6 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.893 1.591 19643 2038 1 6 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.190 -1.208 19643 2039 1 6 . 1 1 78 78 VAL N N 78 117.348 117.348 118.578 -1.230 19643 2040 1 6 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.756 -0.640 19643 2041 1 6 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.227 1.068 19643 2042 1 6 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.881 -0.185 19643 2043 1 6 . 1 1 79 79 GLU N N 79 119.021 119.021 119.676 -0.655 19643 2044 1 6 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.974 -0.102 19643 2045 1 6 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.406 -0.166 19643 2046 1 6 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.242 -0.153 19643 2047 1 6 . 1 1 80 80 ALA N N 80 120.115 120.115 120.606 -0.491 19643 2048 1 6 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.241 -0.273 19643 2049 1 6 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.289 0.424 19643 2050 1 6 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.633 -1.577 19643 2051 1 6 . 1 1 81 81 LEU N N 81 116.561 116.561 115.703 0.858 19643 2052 1 6 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.317 -0.516 19643 2053 1 6 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.171 2.124 19643 2054 1 6 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.299 -0.677 19643 2055 1 6 . 1 1 82 82 LYS N N 82 121.600 121.600 117.371 4.229 19643 2056 1 6 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.268 -0.304 19643 2057 1 6 . 1 1 82 82 LYS CA C 82 59.850 59.850 57.782 2.068 19643 2058 1 6 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.791 0.071 19643 2059 1 6 . 1 1 83 83 GLU N N 83 115.395 115.395 118.270 -2.875 19643 2060 1 6 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.284 0.025 19643 2061 1 6 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.135 -1.009 19643 2062 1 6 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.821 -0.967 19643 2063 1 6 . 1 1 84 84 ALA N N 84 119.693 119.693 121.579 -1.886 19643 2064 1 6 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.225 -0.110 19643 2065 1 6 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.347 0.049 19643 2066 1 6 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.755 1.771 19643 2067 1 6 . 1 1 85 85 GLY N N 85 104.439 104.439 106.013 -1.574 19643 2068 1 6 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.359 -1.593 19643 2069 1 6 . 1 1 86 86 SER N N 86 115.110 115.110 113.907 1.203 19643 2070 1 6 . 1 1 86 86 SER HA H 86 4.129 4.129 4.564 -0.435 19643 2071 1 6 . 1 1 86 86 SER CA C 86 61.282 61.282 58.517 2.765 19643 2072 1 6 . 1 1 86 86 SER CB C 86 63.430 63.430 64.539 -1.109 19643 2073 1 6 . 1 1 87 87 ILE N N 87 120.535 120.535 123.571 -3.036 19643 2074 1 6 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.818 -0.175 19643 2075 1 6 . 1 1 87 87 ILE CA C 87 59.954 59.954 58.990 0.964 19643 2076 1 6 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.334 -1.101 19643 2077 1 6 . 1 1 88 88 VAL N N 88 127.851 127.851 122.462 5.389 19643 2078 1 6 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.661 -0.403 19643 2079 1 6 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.542 1.192 19643 2080 1 6 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.556 -0.342 19643 2081 1 6 . 1 1 89 89 ARG N N 89 127.712 127.712 125.622 2.090 19643 2082 1 6 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.072 -0.281 19643 2083 1 6 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.322 0.454 19643 2084 1 6 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.795 0.007 19643 2085 1 6 . 1 1 90 90 LEU N N 90 127.483 127.483 122.305 5.178 19643 2086 1 6 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.917 0.214 19643 2087 1 6 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.973 -1.059 19643 2088 1 6 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.587 0.520 19643 2089 1 6 . 1 1 91 91 TYR N N 91 125.830 125.830 125.661 0.169 19643 2090 1 6 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.485 -0.136 19643 2091 1 6 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.569 1.382 19643 2092 1 6 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.677 -0.431 19643 2093 1 6 . 1 1 92 92 VAL N N 92 121.091 121.091 122.266 -1.175 19643 2094 1 6 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.923 0.551 19643 2095 1 6 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.868 -0.457 19643 2096 1 6 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.156 0.201 19643 2097 1 6 . 1 1 93 93 MET N N 93 118.712 118.712 119.200 -0.488 19643 2098 1 6 . 1 1 93 93 MET HA H 93 5.103 5.103 4.634 0.469 19643 2099 1 6 . 1 1 93 93 MET CA C 93 53.151 53.151 54.388 -1.236 19643 2100 1 6 . 1 1 93 93 MET CB C 93 36.981 36.981 34.850 2.131 19643 2101 1 6 . 1 1 94 94 ARG N N 94 122.359 122.359 124.699 -2.340 19643 2102 1 6 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.654 0.186 19643 2103 1 6 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.450 -0.445 19643 2104 1 6 . 1 1 94 94 ARG CB C 94 34.135 34.135 33.715 0.420 19643 2105 1 6 . 1 1 95 95 ARG N N 95 120.747 120.747 124.221 -3.474 19643 2106 1 6 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.414 0.202 19643 2107 1 6 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.519 0.029 19643 2108 1 6 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.391 -0.580 19643 2109 1 6 . 1 1 96 96 LYS N N 96 125.436 125.436 125.525 -0.089 19643 2110 1 6 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.386 -0.022 19643 2111 1 6 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.180 -0.669 19643 2112 1 6 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.391 1.384 19643 2113 1 7 . 1 1 2 2 ALA N N 2 123.610 123.610 127.422 -3.812 19643 2114 1 7 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.745 -0.456 19643 2115 1 7 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.713 0.977 19643 2116 1 7 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.298 -0.925 19643 2117 1 7 . 1 1 3 3 MET N N 3 119.242 119.242 119.634 -0.392 19643 2118 1 7 . 1 1 3 3 MET HA H 3 4.422 4.422 4.346 0.076 19643 2119 1 7 . 1 1 3 3 MET CA C 3 55.333 55.333 55.115 0.218 19643 2120 1 7 . 1 1 3 3 MET CB C 3 32.744 32.744 32.472 0.272 19643 2121 1 7 . 1 1 4 4 GLU N N 4 122.309 122.309 120.778 1.531 19643 2122 1 7 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.659 -0.359 19643 2123 1 7 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.108 1.298 19643 2124 1 7 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.038 -0.316 19643 2125 1 7 . 1 1 5 5 MET N N 5 120.131 120.131 118.041 2.090 19643 2126 1 7 . 1 1 5 5 MET HA H 5 4.911 4.911 4.579 0.332 19643 2127 1 7 . 1 1 5 5 MET CA C 5 53.780 53.780 55.300 -1.520 19643 2128 1 7 . 1 1 5 5 MET CB C 5 34.203 34.203 33.742 0.461 19643 2129 1 7 . 1 1 6 6 GLU N N 6 121.438 121.438 120.094 1.344 19643 2130 1 7 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.723 -0.218 19643 2131 1 7 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.008 -0.652 19643 2132 1 7 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.616 1.418 19643 2133 1 7 . 1 1 7 7 TYR N N 7 121.043 121.043 123.473 -2.430 19643 2134 1 7 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.931 0.445 19643 2135 1 7 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.304 -1.208 19643 2136 1 7 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.324 0.987 19643 2137 1 7 . 1 1 8 8 GLU N N 8 121.986 121.986 123.192 -1.206 19643 2138 1 7 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.790 -0.404 19643 2139 1 7 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.600 1.485 19643 2140 1 7 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.333 0.577 19643 2141 1 7 . 1 1 9 9 GLU N N 9 125.727 125.727 124.685 1.042 19643 2142 1 7 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.849 0.289 19643 2143 1 7 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.466 -0.661 19643 2144 1 7 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.233 0.878 19643 2145 1 7 . 1 1 10 10 ILE N N 10 130.210 130.210 127.676 2.534 19643 2146 1 7 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.460 -0.517 19643 2147 1 7 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.597 0.595 19643 2148 1 7 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.090 1.523 19643 2149 1 7 . 1 1 11 11 THR N N 11 124.067 124.067 121.605 2.462 19643 2150 1 7 . 1 1 11 11 THR HA H 11 5.212 5.212 4.650 0.562 19643 2151 1 7 . 1 1 11 11 THR CA C 11 61.750 61.750 61.508 0.242 19643 2152 1 7 . 1 1 11 11 THR CB C 11 69.466 69.466 69.851 -0.385 19643 2153 1 7 . 1 1 12 12 LEU N N 12 125.136 125.136 127.160 -2.024 19643 2154 1 7 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.780 -0.074 19643 2155 1 7 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.649 -1.147 19643 2156 1 7 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.504 0.824 19643 2157 1 7 . 1 1 13 13 GLU N N 13 121.986 121.986 122.450 -0.464 19643 2158 1 7 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.696 0.211 19643 2159 1 7 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.576 -1.311 19643 2160 1 7 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.750 -0.471 19643 2161 1 7 . 1 1 14 14 ARG N N 14 125.922 125.922 127.686 -1.764 19643 2162 1 7 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.307 -0.764 19643 2163 1 7 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.596 1.482 19643 2164 1 7 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.586 0.986 19643 2165 1 7 . 1 1 15 15 GLY N N 15 113.035 113.035 112.137 0.898 19643 2166 1 7 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.246 -0.138 19643 2167 1 7 . 1 1 16 16 ASN N N 16 120.641 120.641 118.371 2.270 19643 2168 1 7 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.700 -0.298 19643 2169 1 7 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.947 0.933 19643 2170 1 7 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.816 -0.753 19643 2171 1 7 . 1 1 17 17 SER N N 17 111.943 111.943 114.382 -2.439 19643 2172 1 7 . 1 1 17 17 SER HA H 17 4.598 4.598 4.661 -0.063 19643 2173 1 7 . 1 1 17 17 SER CA C 17 56.829 56.829 59.003 -2.174 19643 2174 1 7 . 1 1 17 17 SER CB C 17 63.185 63.185 64.094 -0.909 19643 2175 1 7 . 1 1 18 18 GLY N N 18 108.890 108.890 109.166 -0.276 19643 2176 1 7 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.781 -0.138 19643 2177 1 7 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.833 0.355 19643 2178 1 7 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.901 -0.481 19643 2179 1 7 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.807 1.362 19643 2180 1 7 . 1 1 20 20 GLY N N 20 106.101 106.101 105.438 0.663 19643 2181 1 7 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.148 1.214 19643 2182 1 7 . 1 1 21 21 PHE N N 21 117.144 117.144 116.744 0.400 19643 2183 1 7 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.143 0.003 19643 2184 1 7 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.941 0.380 19643 2185 1 7 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.707 0.009 19643 2186 1 7 . 1 1 22 22 SER N N 22 113.822 113.822 115.673 -1.851 19643 2187 1 7 . 1 1 22 22 SER HA H 22 5.765 5.765 4.692 1.073 19643 2188 1 7 . 1 1 22 22 SER CA C 22 56.474 56.474 57.369 -0.895 19643 2189 1 7 . 1 1 22 22 SER CB C 22 65.095 65.095 66.159 -1.064 19643 2190 1 7 . 1 1 23 23 ILE N N 23 114.674 114.674 120.217 -5.543 19643 2191 1 7 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.640 1.106 19643 2192 1 7 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.507 -1.223 19643 2193 1 7 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.185 3.494 19643 2194 1 7 . 1 1 24 24 ALA N N 24 123.084 123.084 128.843 -5.759 19643 2195 1 7 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.769 0.272 19643 2196 1 7 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.094 -1.527 19643 2197 1 7 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.233 3.531 19643 2198 1 7 . 1 1 25 25 GLY N N 25 106.991 106.991 108.972 -1.981 19643 2199 1 7 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.827 0.077 19643 2200 1 7 . 1 1 26 26 GLY N N 26 108.474 108.474 105.789 2.685 19643 2201 1 7 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.337 -1.804 19643 2202 1 7 . 1 1 27 27 THR N N 27 113.603 113.603 113.360 0.243 19643 2203 1 7 . 1 1 27 27 THR HA H 27 3.844 3.844 4.322 -0.478 19643 2204 1 7 . 1 1 27 27 THR CA C 27 64.151 64.151 64.055 0.096 19643 2205 1 7 . 1 1 27 27 THR CB C 27 67.979 67.979 69.513 -1.534 19643 2206 1 7 . 1 1 28 28 ASP N N 28 116.979 116.979 117.999 -1.020 19643 2207 1 7 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.584 -0.063 19643 2208 1 7 . 1 1 28 28 ASP CA C 28 51.997 51.997 53.914 -1.917 19643 2209 1 7 . 1 1 28 28 ASP CB C 28 39.198 39.198 40.919 -1.721 19643 2210 1 7 . 1 1 29 29 ASN N N 29 119.889 119.889 119.863 0.026 19643 2211 1 7 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.104 -0.227 19643 2212 1 7 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.913 0.873 19643 2213 1 7 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.072 2.216 19643 2214 1 7 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.848 -0.260 19643 2215 1 7 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.705 1.678 19643 2216 1 7 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.606 -0.881 19643 2217 1 7 . 1 1 31 31 HIS N N 31 122.889 122.889 119.963 2.926 19643 2218 1 7 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.641 0.065 19643 2219 1 7 . 1 1 31 31 HIS CA C 31 56.079 56.079 56.781 -0.702 19643 2220 1 7 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.020 0.628 19643 2221 1 7 . 1 1 32 32 ILE N N 32 115.082 115.082 118.347 -3.265 19643 2222 1 7 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.438 -0.442 19643 2223 1 7 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.185 -3.120 19643 2224 1 7 . 1 1 32 32 ILE CB C 32 40.233 40.233 40.118 0.115 19643 2225 1 7 . 1 1 33 33 GLY N N 33 114.196 114.196 109.270 4.926 19643 2226 1 7 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.951 2.257 19643 2227 1 7 . 1 1 34 34 ASP N N 34 124.358 124.358 118.980 5.378 19643 2228 1 7 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.489 0.098 19643 2229 1 7 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.624 -3.008 19643 2230 1 7 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.436 0.215 19643 2231 1 7 . 1 1 35 35 ASP N N 35 123.575 123.575 120.183 3.392 19643 2232 1 7 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.868 -0.091 19643 2233 1 7 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.607 -0.072 19643 2234 1 7 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.650 0.258 19643 2235 1 7 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.635 -0.141 19643 2236 1 7 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.233 0.087 19643 2237 1 7 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.377 0.569 19643 2238 1 7 . 1 1 37 37 SER N N 37 117.452 117.452 114.508 2.944 19643 2239 1 7 . 1 1 37 37 SER HA H 37 4.077 4.077 4.466 -0.389 19643 2240 1 7 . 1 1 37 37 SER CA C 37 60.109 60.109 57.893 2.216 19643 2241 1 7 . 1 1 37 37 SER CB C 37 63.043 63.043 64.060 -1.017 19643 2242 1 7 . 1 1 38 38 ILE N N 38 123.464 123.464 123.361 0.103 19643 2243 1 7 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.584 0.094 19643 2244 1 7 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.009 -1.518 19643 2245 1 7 . 1 1 38 38 ILE CB C 38 34.905 34.905 35.914 -1.009 19643 2246 1 7 . 1 1 39 39 PHE N N 39 124.567 124.567 128.909 -4.342 19643 2247 1 7 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.966 0.376 19643 2248 1 7 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.404 1.169 19643 2249 1 7 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.338 0.757 19643 2250 1 7 . 1 1 40 40 ILE N N 40 119.768 119.768 122.069 -2.301 19643 2251 1 7 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.164 0.437 19643 2252 1 7 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.198 0.098 19643 2253 1 7 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.020 0.013 19643 2254 1 7 . 1 1 41 41 THR N N 41 118.591 118.591 119.817 -1.226 19643 2255 1 7 . 1 1 41 41 THR HA H 41 4.530 4.530 4.318 0.212 19643 2256 1 7 . 1 1 41 41 THR CA C 41 62.101 62.101 62.695 -0.594 19643 2257 1 7 . 1 1 41 41 THR CB C 41 68.728 68.728 70.823 -2.095 19643 2258 1 7 . 1 1 42 42 LYS N N 42 121.511 121.511 123.288 -1.777 19643 2259 1 7 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.644 -0.371 19643 2260 1 7 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.036 1.529 19643 2261 1 7 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.682 1.394 19643 2262 1 7 . 1 1 43 43 ILE N N 43 126.187 126.187 124.349 1.838 19643 2263 1 7 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.407 -0.117 19643 2264 1 7 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.196 1.726 19643 2265 1 7 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.383 -1.200 19643 2266 1 7 . 1 1 44 44 ILE N N 44 128.532 128.532 129.606 -1.074 19643 2267 1 7 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.379 -0.225 19643 2268 1 7 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.105 -0.086 19643 2269 1 7 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.977 0.239 19643 2270 1 7 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.378 -0.197 19643 2271 1 7 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.501 -0.388 19643 2272 1 7 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.879 -0.494 19643 2273 1 7 . 1 1 46 46 GLY N N 46 111.733 111.733 106.899 4.834 19643 2274 1 7 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.803 0.559 19643 2275 1 7 . 1 1 47 47 GLY N N 47 106.686 106.686 109.145 -2.459 19643 2276 1 7 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.956 0.695 19643 2277 1 7 . 1 1 48 48 ALA N N 48 120.883 120.883 121.649 -0.766 19643 2278 1 7 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.281 -0.253 19643 2279 1 7 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.514 1.069 19643 2280 1 7 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.358 -1.404 19643 2281 1 7 . 1 1 49 49 ALA N N 49 119.457 119.457 120.616 -1.159 19643 2282 1 7 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.192 -0.014 19643 2283 1 7 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.626 0.182 19643 2284 1 7 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.029 0.845 19643 2285 1 7 . 1 1 50 50 ALA N N 50 127.017 127.017 119.012 8.005 19643 2286 1 7 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.353 -0.440 19643 2287 1 7 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.725 1.179 19643 2288 1 7 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.621 0.167 19643 2289 1 7 . 1 1 51 51 GLN N N 51 117.131 117.131 117.902 -0.771 19643 2290 1 7 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.316 -0.415 19643 2291 1 7 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.955 0.583 19643 2292 1 7 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.393 -0.695 19643 2293 1 7 . 1 1 52 52 ASP N N 52 118.091 118.091 118.731 -0.640 19643 2294 1 7 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.707 -0.346 19643 2295 1 7 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.492 1.407 19643 2296 1 7 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.452 2.259 19643 2297 1 7 . 1 1 53 53 GLY N N 53 102.763 102.763 107.341 -4.578 19643 2298 1 7 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.349 1.016 19643 2299 1 7 . 1 1 54 54 ARG N N 54 119.861 119.861 118.045 1.816 19643 2300 1 7 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.960 0.213 19643 2301 1 7 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.995 2.381 19643 2302 1 7 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.045 5.261 19643 2303 1 7 . 1 1 55 55 LEU N N 55 120.459 120.459 120.964 -0.505 19643 2304 1 7 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.589 -0.821 19643 2305 1 7 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.054 1.184 19643 2306 1 7 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.353 -1.013 19643 2307 1 7 . 1 1 56 56 ARG N N 56 122.213 122.213 125.125 -2.912 19643 2308 1 7 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.599 -0.159 19643 2309 1 7 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.907 -1.698 19643 2310 1 7 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.193 0.637 19643 2311 1 7 . 1 1 57 57 VAL N N 57 120.461 120.461 122.454 -1.993 19643 2312 1 7 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.665 -0.513 19643 2313 1 7 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.387 0.137 19643 2314 1 7 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.995 -0.834 19643 2315 1 7 . 1 1 58 58 ASN N N 58 120.800 120.800 113.962 6.838 19643 2316 1 7 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.640 -0.350 19643 2317 1 7 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.182 3.166 19643 2318 1 7 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.320 -1.327 19643 2319 1 7 . 1 1 59 59 ASP N N 59 122.628 122.628 119.472 3.156 19643 2320 1 7 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.609 -0.056 19643 2321 1 7 . 1 1 59 59 ASP CA C 59 56.411 56.411 56.108 0.303 19643 2322 1 7 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.931 -1.231 19643 2323 1 7 . 1 1 60 60 SER N N 60 115.152 115.152 112.765 2.387 19643 2324 1 7 . 1 1 60 60 SER HA H 60 5.391 5.391 4.128 1.263 19643 2325 1 7 . 1 1 60 60 SER CA C 60 55.105 55.105 58.739 -3.634 19643 2326 1 7 . 1 1 60 60 SER CB C 60 65.259 65.259 63.636 1.623 19643 2327 1 7 . 1 1 61 61 ILE N N 61 123.216 123.216 126.211 -2.995 19643 2328 1 7 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.301 -0.393 19643 2329 1 7 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.895 -0.431 19643 2330 1 7 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.118 0.960 19643 2331 1 7 . 1 1 62 62 LEU N N 62 126.711 126.711 125.381 1.330 19643 2332 1 7 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.580 -0.380 19643 2333 1 7 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.336 0.311 19643 2334 1 7 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.297 -0.167 19643 2335 1 7 . 1 1 63 63 PHE N N 63 111.486 111.486 117.365 -5.879 19643 2336 1 7 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.187 0.256 19643 2337 1 7 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.927 -0.802 19643 2338 1 7 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.659 1.576 19643 2339 1 7 . 1 1 64 64 VAL N N 64 120.758 120.758 115.472 5.286 19643 2340 1 7 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.864 -0.555 19643 2341 1 7 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.393 0.171 19643 2342 1 7 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.148 -1.112 19643 2343 1 7 . 1 1 65 65 ASN N N 65 126.150 126.150 122.454 3.696 19643 2344 1 7 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.312 -0.087 19643 2345 1 7 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.801 0.244 19643 2346 1 7 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.139 -1.891 19643 2347 1 7 . 1 1 67 67 VAL N N 67 124.346 124.346 115.634 8.712 19643 2348 1 7 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.551 -0.734 19643 2349 1 7 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.730 2.712 19643 2350 1 7 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.702 -1.657 19643 2351 1 7 . 1 1 68 68 ASP N N 68 127.980 127.980 123.665 4.315 19643 2352 1 7 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.332 -0.361 19643 2353 1 7 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.715 -0.630 19643 2354 1 7 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.786 1.383 19643 2355 1 7 . 1 1 69 69 VAL N N 69 120.432 120.432 117.047 3.385 19643 2356 1 7 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.174 0.463 19643 2357 1 7 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.708 -3.723 19643 2358 1 7 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.507 -2.614 19643 2359 1 7 . 1 1 70 70 ARG N N 70 122.630 122.630 119.042 3.588 19643 2360 1 7 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.967 0.165 19643 2361 1 7 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.860 1.908 19643 2362 1 7 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.885 0.686 19643 2363 1 7 . 1 1 71 71 GLU N N 71 120.164 120.164 119.299 0.865 19643 2364 1 7 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.398 -0.105 19643 2365 1 7 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.743 -1.089 19643 2366 1 7 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.925 -0.595 19643 2367 1 7 . 1 1 72 72 VAL N N 72 118.241 118.241 119.213 -0.972 19643 2368 1 7 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.560 0.244 19643 2369 1 7 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.464 -1.116 19643 2370 1 7 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.231 0.756 19643 2371 1 7 . 1 1 73 73 THR N N 73 109.907 109.907 110.791 -0.884 19643 2372 1 7 . 1 1 73 73 THR HA H 73 4.311 4.311 4.639 -0.328 19643 2373 1 7 . 1 1 73 73 THR CA C 73 61.446 61.446 61.283 0.163 19643 2374 1 7 . 1 1 73 73 THR CB C 73 70.324 70.324 70.490 -0.166 19643 2375 1 7 . 1 1 74 74 HIS N N 74 122.235 122.235 119.441 2.794 19643 2376 1 7 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.099 -0.217 19643 2377 1 7 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.623 2.046 19643 2378 1 7 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.758 -0.235 19643 2379 1 7 . 1 1 75 75 SER N N 75 111.076 111.076 115.235 -4.159 19643 2380 1 7 . 1 1 75 75 SER HA H 75 3.962 3.962 4.048 -0.086 19643 2381 1 7 . 1 1 75 75 SER CA C 75 61.889 61.889 61.359 0.530 19643 2382 1 7 . 1 1 75 75 SER CB C 75 62.708 62.708 62.166 0.542 19643 2383 1 7 . 1 1 76 76 ALA N N 76 125.241 125.241 121.376 3.865 19643 2384 1 7 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.188 -0.124 19643 2385 1 7 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.951 1.045 19643 2386 1 7 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.371 -0.009 19643 2387 1 7 . 1 1 77 77 ALA N N 77 123.063 123.063 120.302 2.761 19643 2388 1 7 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.390 -0.590 19643 2389 1 7 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.880 1.604 19643 2390 1 7 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.279 -1.297 19643 2391 1 7 . 1 1 78 78 VAL N N 78 117.348 117.348 118.582 -1.234 19643 2392 1 7 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.709 -0.593 19643 2393 1 7 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.272 1.022 19643 2394 1 7 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.774 -0.078 19643 2395 1 7 . 1 1 79 79 GLU N N 79 119.021 119.021 119.827 -0.806 19643 2396 1 7 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.918 -0.046 19643 2397 1 7 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.646 -0.406 19643 2398 1 7 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.255 -0.166 19643 2399 1 7 . 1 1 80 80 ALA N N 80 120.115 120.115 120.544 -0.429 19643 2400 1 7 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.209 -0.241 19643 2401 1 7 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.541 0.173 19643 2402 1 7 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.456 -1.399 19643 2403 1 7 . 1 1 81 81 LEU N N 81 116.561 116.561 116.641 -0.080 19643 2404 1 7 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.224 -0.423 19643 2405 1 7 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.895 1.400 19643 2406 1 7 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.276 -0.654 19643 2407 1 7 . 1 1 82 82 LYS N N 82 121.600 121.600 117.654 3.946 19643 2408 1 7 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.164 -0.200 19643 2409 1 7 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.439 1.411 19643 2410 1 7 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.093 -0.231 19643 2411 1 7 . 1 1 83 83 GLU N N 83 115.395 115.395 118.052 -2.657 19643 2412 1 7 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.128 0.181 19643 2413 1 7 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.441 -2.315 19643 2414 1 7 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.203 -0.349 19643 2415 1 7 . 1 1 84 84 ALA N N 84 119.693 119.693 121.669 -1.976 19643 2416 1 7 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.172 -0.057 19643 2417 1 7 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.596 -0.200 19643 2418 1 7 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.743 1.783 19643 2419 1 7 . 1 1 85 85 GLY N N 85 104.439 104.439 105.005 -0.566 19643 2420 1 7 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.899 -2.133 19643 2421 1 7 . 1 1 86 86 SER N N 86 115.110 115.110 112.763 2.347 19643 2422 1 7 . 1 1 86 86 SER HA H 86 4.129 4.129 4.579 -0.450 19643 2423 1 7 . 1 1 86 86 SER CA C 86 61.282 61.282 58.880 2.401 19643 2424 1 7 . 1 1 86 86 SER CB C 86 63.430 63.430 64.559 -1.129 19643 2425 1 7 . 1 1 87 87 ILE N N 87 120.535 120.535 124.628 -4.093 19643 2426 1 7 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.962 -0.319 19643 2427 1 7 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.755 0.199 19643 2428 1 7 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.260 -1.027 19643 2429 1 7 . 1 1 88 88 VAL N N 88 127.851 127.851 123.407 4.444 19643 2430 1 7 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.663 -0.405 19643 2431 1 7 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.312 1.422 19643 2432 1 7 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.291 -0.077 19643 2433 1 7 . 1 1 89 89 ARG N N 89 127.712 127.712 127.420 0.292 19643 2434 1 7 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.902 -0.111 19643 2435 1 7 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.384 0.392 19643 2436 1 7 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.405 0.397 19643 2437 1 7 . 1 1 90 90 LEU N N 90 127.483 127.483 122.434 5.049 19643 2438 1 7 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.987 0.144 19643 2439 1 7 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.120 -0.205 19643 2440 1 7 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.782 1.325 19643 2441 1 7 . 1 1 91 91 TYR N N 91 125.830 125.830 125.451 0.379 19643 2442 1 7 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.234 0.115 19643 2443 1 7 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.790 1.161 19643 2444 1 7 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.344 -0.098 19643 2445 1 7 . 1 1 92 92 VAL N N 92 121.091 121.091 122.068 -0.977 19643 2446 1 7 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.969 0.505 19643 2447 1 7 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.886 -0.474 19643 2448 1 7 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.284 0.073 19643 2449 1 7 . 1 1 93 93 MET N N 93 118.712 118.712 119.319 -0.607 19643 2450 1 7 . 1 1 93 93 MET HA H 93 5.103 5.103 4.742 0.361 19643 2451 1 7 . 1 1 93 93 MET CA C 93 53.151 53.151 54.676 -1.525 19643 2452 1 7 . 1 1 93 93 MET CB C 93 36.981 36.981 34.829 2.152 19643 2453 1 7 . 1 1 94 94 ARG N N 94 122.359 122.359 122.526 -0.167 19643 2454 1 7 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.755 0.085 19643 2455 1 7 . 1 1 94 94 ARG CA C 94 54.005 54.005 53.460 0.545 19643 2456 1 7 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.145 -0.010 19643 2457 1 7 . 1 1 95 95 ARG N N 95 120.747 120.747 122.197 -1.450 19643 2458 1 7 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.377 0.239 19643 2459 1 7 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.664 -0.117 19643 2460 1 7 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.097 -0.286 19643 2461 1 7 . 1 1 96 96 LYS N N 96 125.436 125.436 123.495 1.941 19643 2462 1 7 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.252 0.112 19643 2463 1 7 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.334 -0.823 19643 2464 1 7 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.625 1.149 19643 2465 1 8 . 1 1 2 2 ALA N N 2 123.610 123.610 124.714 -1.104 19643 2466 1 8 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.754 -0.465 19643 2467 1 8 . 1 1 2 2 ALA CA C 2 52.690 52.690 52.050 0.640 19643 2468 1 8 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.786 -0.413 19643 2469 1 8 . 1 1 3 3 MET N N 3 119.242 119.242 121.941 -2.699 19643 2470 1 8 . 1 1 3 3 MET HA H 3 4.422 4.422 4.728 -0.306 19643 2471 1 8 . 1 1 3 3 MET CA C 3 55.333 55.333 54.796 0.537 19643 2472 1 8 . 1 1 3 3 MET CB C 3 32.744 32.744 34.252 -1.508 19643 2473 1 8 . 1 1 4 4 GLU N N 4 122.309 122.309 123.301 -0.992 19643 2474 1 8 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.649 -0.349 19643 2475 1 8 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.315 1.091 19643 2476 1 8 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.146 -0.424 19643 2477 1 8 . 1 1 5 5 MET N N 5 120.131 120.131 118.575 1.556 19643 2478 1 8 . 1 1 5 5 MET HA H 5 4.911 4.911 4.649 0.262 19643 2479 1 8 . 1 1 5 5 MET CA C 5 53.780 53.780 54.691 -0.911 19643 2480 1 8 . 1 1 5 5 MET CB C 5 34.203 34.203 34.706 -0.503 19643 2481 1 8 . 1 1 6 6 GLU N N 6 121.438 121.438 119.824 1.614 19643 2482 1 8 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.762 -0.257 19643 2483 1 8 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.319 -0.964 19643 2484 1 8 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.471 1.563 19643 2485 1 8 . 1 1 7 7 TYR N N 7 121.043 121.043 123.750 -2.707 19643 2486 1 8 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.006 0.370 19643 2487 1 8 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.364 -1.268 19643 2488 1 8 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.097 1.214 19643 2489 1 8 . 1 1 8 8 GLU N N 8 121.986 121.986 123.813 -1.827 19643 2490 1 8 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.751 -0.365 19643 2491 1 8 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.720 1.365 19643 2492 1 8 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.240 0.669 19643 2493 1 8 . 1 1 9 9 GLU N N 9 125.727 125.727 125.207 0.520 19643 2494 1 8 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.882 0.256 19643 2495 1 8 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.579 -0.774 19643 2496 1 8 . 1 1 9 9 GLU CB C 9 31.112 31.112 29.706 1.406 19643 2497 1 8 . 1 1 10 10 ILE N N 10 130.210 130.210 127.768 2.442 19643 2498 1 8 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.432 -0.489 19643 2499 1 8 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.564 0.628 19643 2500 1 8 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.005 1.607 19643 2501 1 8 . 1 1 11 11 THR N N 11 124.067 124.067 121.718 2.349 19643 2502 1 8 . 1 1 11 11 THR HA H 11 5.212 5.212 4.626 0.586 19643 2503 1 8 . 1 1 11 11 THR CA C 11 61.750 61.750 61.562 0.188 19643 2504 1 8 . 1 1 11 11 THR CB C 11 69.466 69.466 69.727 -0.260 19643 2505 1 8 . 1 1 12 12 LEU N N 12 125.136 125.136 127.138 -2.002 19643 2506 1 8 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.782 -0.076 19643 2507 1 8 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.519 -1.016 19643 2508 1 8 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.771 0.557 19643 2509 1 8 . 1 1 13 13 GLU N N 13 121.986 121.986 121.916 0.070 19643 2510 1 8 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.764 0.143 19643 2511 1 8 . 1 1 13 13 GLU CA C 13 54.265 54.265 54.833 -0.568 19643 2512 1 8 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.474 -0.195 19643 2513 1 8 . 1 1 14 14 ARG N N 14 125.922 125.922 127.105 -1.183 19643 2514 1 8 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.163 -0.620 19643 2515 1 8 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.798 1.280 19643 2516 1 8 . 1 1 14 14 ARG CB C 14 31.572 31.572 29.999 1.573 19643 2517 1 8 . 1 1 15 15 GLY N N 15 113.035 113.035 114.200 -1.165 19643 2518 1 8 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.180 -0.072 19643 2519 1 8 . 1 1 16 16 ASN N N 16 120.641 120.641 117.965 2.676 19643 2520 1 8 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.490 -0.088 19643 2521 1 8 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.958 0.923 19643 2522 1 8 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.203 -0.140 19643 2523 1 8 . 1 1 17 17 SER N N 17 111.943 111.943 114.466 -2.523 19643 2524 1 8 . 1 1 17 17 SER HA H 17 4.598 4.598 4.473 0.125 19643 2525 1 8 . 1 1 17 17 SER CA C 17 56.829 56.829 58.101 -1.272 19643 2526 1 8 . 1 1 17 17 SER CB C 17 63.185 63.185 63.826 -0.641 19643 2527 1 8 . 1 1 18 18 GLY N N 18 108.890 108.890 110.646 -1.756 19643 2528 1 8 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.566 0.078 19643 2529 1 8 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.949 0.239 19643 2530 1 8 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.234 -0.814 19643 2531 1 8 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.633 1.536 19643 2532 1 8 . 1 1 20 20 GLY N N 20 106.101 106.101 106.348 -0.247 19643 2533 1 8 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.050 1.312 19643 2534 1 8 . 1 1 21 21 PHE N N 21 117.144 117.144 116.741 0.403 19643 2535 1 8 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.151 -0.005 19643 2536 1 8 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.711 0.610 19643 2537 1 8 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.596 0.120 19643 2538 1 8 . 1 1 22 22 SER N N 22 113.822 113.822 115.767 -1.945 19643 2539 1 8 . 1 1 22 22 SER HA H 22 5.765 5.765 4.617 1.148 19643 2540 1 8 . 1 1 22 22 SER CA C 22 56.474 56.474 57.322 -0.848 19643 2541 1 8 . 1 1 22 22 SER CB C 22 65.095 65.095 65.898 -0.803 19643 2542 1 8 . 1 1 23 23 ILE N N 23 114.674 114.674 119.553 -4.879 19643 2543 1 8 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.688 1.058 19643 2544 1 8 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.525 -1.240 19643 2545 1 8 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.092 3.587 19643 2546 1 8 . 1 1 24 24 ALA N N 24 123.084 123.084 128.299 -5.215 19643 2547 1 8 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.924 0.117 19643 2548 1 8 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.814 -1.247 19643 2549 1 8 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.664 3.100 19643 2550 1 8 . 1 1 25 25 GLY N N 25 106.991 106.991 109.021 -2.030 19643 2551 1 8 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.265 -0.361 19643 2552 1 8 . 1 1 26 26 GLY N N 26 108.474 108.474 105.389 3.085 19643 2553 1 8 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.326 -1.793 19643 2554 1 8 . 1 1 27 27 THR N N 27 113.603 113.603 111.083 2.520 19643 2555 1 8 . 1 1 27 27 THR HA H 27 3.844 3.844 4.594 -0.750 19643 2556 1 8 . 1 1 27 27 THR CA C 27 64.151 64.151 63.072 1.079 19643 2557 1 8 . 1 1 27 27 THR CB C 27 67.979 67.979 70.106 -2.127 19643 2558 1 8 . 1 1 28 28 ASP N N 28 116.979 116.979 120.811 -3.832 19643 2559 1 8 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.644 -0.123 19643 2560 1 8 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.993 -2.996 19643 2561 1 8 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.252 -2.054 19643 2562 1 8 . 1 1 29 29 ASN N N 29 119.889 119.889 121.044 -1.155 19643 2563 1 8 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.208 -0.331 19643 2564 1 8 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.742 1.044 19643 2565 1 8 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.447 1.841 19643 2566 1 8 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.566 0.022 19643 2567 1 8 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.709 1.674 19643 2568 1 8 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.565 -0.840 19643 2569 1 8 . 1 1 31 31 HIS N N 31 122.889 122.889 121.206 1.683 19643 2570 1 8 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.712 -0.006 19643 2571 1 8 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.591 -1.512 19643 2572 1 8 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.247 -0.599 19643 2573 1 8 . 1 1 32 32 ILE N N 32 115.082 115.082 118.967 -3.885 19643 2574 1 8 . 1 1 32 32 ILE HA H 32 3.996 3.996 3.978 0.018 19643 2575 1 8 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.341 -2.276 19643 2576 1 8 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.800 0.433 19643 2577 1 8 . 1 1 33 33 GLY N N 33 114.196 114.196 108.132 6.064 19643 2578 1 8 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.015 2.193 19643 2579 1 8 . 1 1 34 34 ASP N N 34 124.358 124.358 120.712 3.646 19643 2580 1 8 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.809 -0.222 19643 2581 1 8 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.723 -1.107 19643 2582 1 8 . 1 1 34 34 ASP CB C 34 40.651 40.651 41.362 -0.711 19643 2583 1 8 . 1 1 35 35 ASP N N 35 123.575 123.575 121.859 1.716 19643 2584 1 8 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.966 -0.189 19643 2585 1 8 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.754 -0.219 19643 2586 1 8 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.343 -0.434 19643 2587 1 8 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.488 0.006 19643 2588 1 8 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.285 0.035 19643 2589 1 8 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.349 0.596 19643 2590 1 8 . 1 1 37 37 SER N N 37 117.452 117.452 114.280 3.172 19643 2591 1 8 . 1 1 37 37 SER HA H 37 4.077 4.077 4.445 -0.368 19643 2592 1 8 . 1 1 37 37 SER CA C 37 60.109 60.109 57.054 3.055 19643 2593 1 8 . 1 1 37 37 SER CB C 37 63.043 63.043 64.503 -1.460 19643 2594 1 8 . 1 1 38 38 ILE N N 38 123.464 123.464 120.476 2.988 19643 2595 1 8 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.332 0.346 19643 2596 1 8 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.142 -1.651 19643 2597 1 8 . 1 1 38 38 ILE CB C 38 34.905 34.905 37.096 -2.191 19643 2598 1 8 . 1 1 39 39 PHE N N 39 124.567 124.567 123.250 1.317 19643 2599 1 8 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.886 0.456 19643 2600 1 8 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.453 1.120 19643 2601 1 8 . 1 1 39 39 PHE CB C 39 44.095 44.095 42.791 1.304 19643 2602 1 8 . 1 1 40 40 ILE N N 40 119.768 119.768 119.346 0.422 19643 2603 1 8 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.392 0.209 19643 2604 1 8 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.349 -0.053 19643 2605 1 8 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.398 -0.365 19643 2606 1 8 . 1 1 41 41 THR N N 41 118.591 118.591 114.998 3.593 19643 2607 1 8 . 1 1 41 41 THR HA H 41 4.530 4.530 4.500 0.030 19643 2608 1 8 . 1 1 41 41 THR CA C 41 62.101 62.101 61.835 0.266 19643 2609 1 8 . 1 1 41 41 THR CB C 41 68.728 68.728 71.011 -2.283 19643 2610 1 8 . 1 1 42 42 LYS N N 42 121.511 121.511 123.303 -1.792 19643 2611 1 8 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.670 -0.397 19643 2612 1 8 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.595 0.970 19643 2613 1 8 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.752 1.324 19643 2614 1 8 . 1 1 43 43 ILE N N 43 126.187 126.187 124.444 1.743 19643 2615 1 8 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.441 -0.151 19643 2616 1 8 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.225 1.697 19643 2617 1 8 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.543 -1.360 19643 2618 1 8 . 1 1 44 44 ILE N N 44 128.532 128.532 129.321 -0.789 19643 2619 1 8 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.410 -0.256 19643 2620 1 8 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.989 0.030 19643 2621 1 8 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.004 0.212 19643 2622 1 8 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.390 -0.209 19643 2623 1 8 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.486 -0.373 19643 2624 1 8 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.893 -0.508 19643 2625 1 8 . 1 1 46 46 GLY N N 46 111.733 111.733 106.843 4.890 19643 2626 1 8 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.797 0.565 19643 2627 1 8 . 1 1 47 47 GLY N N 47 106.686 106.686 109.060 -2.374 19643 2628 1 8 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.931 0.720 19643 2629 1 8 . 1 1 48 48 ALA N N 48 120.883 120.883 121.600 -0.717 19643 2630 1 8 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.281 -0.253 19643 2631 1 8 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.513 1.070 19643 2632 1 8 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.363 -1.409 19643 2633 1 8 . 1 1 49 49 ALA N N 49 119.457 119.457 120.255 -0.798 19643 2634 1 8 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.224 -0.046 19643 2635 1 8 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.616 0.192 19643 2636 1 8 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.116 0.758 19643 2637 1 8 . 1 1 50 50 ALA N N 50 127.017 127.017 119.538 7.479 19643 2638 1 8 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.370 -0.457 19643 2639 1 8 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.658 1.246 19643 2640 1 8 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.806 -0.018 19643 2641 1 8 . 1 1 51 51 GLN N N 51 117.131 117.131 117.857 -0.726 19643 2642 1 8 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.283 -0.382 19643 2643 1 8 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.763 0.775 19643 2644 1 8 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.393 -0.695 19643 2645 1 8 . 1 1 52 52 ASP N N 52 118.091 118.091 118.452 -0.361 19643 2646 1 8 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.721 -0.360 19643 2647 1 8 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.522 1.378 19643 2648 1 8 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.626 2.085 19643 2649 1 8 . 1 1 53 53 GLY N N 53 102.763 102.763 107.626 -4.863 19643 2650 1 8 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.252 1.113 19643 2651 1 8 . 1 1 54 54 ARG N N 54 119.861 119.861 117.452 2.409 19643 2652 1 8 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.997 0.176 19643 2653 1 8 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.994 2.381 19643 2654 1 8 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.463 5.843 19643 2655 1 8 . 1 1 55 55 LEU N N 55 120.459 120.459 121.239 -0.780 19643 2656 1 8 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.658 -0.890 19643 2657 1 8 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.093 1.145 19643 2658 1 8 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.058 -0.718 19643 2659 1 8 . 1 1 56 56 ARG N N 56 122.213 122.213 124.842 -2.629 19643 2660 1 8 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.631 -0.191 19643 2661 1 8 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.890 -1.681 19643 2662 1 8 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.020 0.810 19643 2663 1 8 . 1 1 57 57 VAL N N 57 120.461 120.461 119.973 0.488 19643 2664 1 8 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.779 -0.627 19643 2665 1 8 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.903 0.621 19643 2666 1 8 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.800 -0.639 19643 2667 1 8 . 1 1 58 58 ASN N N 58 120.800 120.800 112.652 8.148 19643 2668 1 8 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.595 -0.305 19643 2669 1 8 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.591 2.757 19643 2670 1 8 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.851 -0.858 19643 2671 1 8 . 1 1 59 59 ASP N N 59 122.628 122.628 119.732 2.896 19643 2672 1 8 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.690 -0.137 19643 2673 1 8 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.851 0.560 19643 2674 1 8 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.075 -1.375 19643 2675 1 8 . 1 1 60 60 SER N N 60 115.152 115.152 112.672 2.480 19643 2676 1 8 . 1 1 60 60 SER HA H 60 5.391 5.391 4.191 1.200 19643 2677 1 8 . 1 1 60 60 SER CA C 60 55.105 55.105 58.988 -3.883 19643 2678 1 8 . 1 1 60 60 SER CB C 60 65.259 65.259 63.793 1.466 19643 2679 1 8 . 1 1 61 61 ILE N N 61 123.216 123.216 121.770 1.446 19643 2680 1 8 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.143 -0.235 19643 2681 1 8 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.912 -0.448 19643 2682 1 8 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.152 0.926 19643 2683 1 8 . 1 1 62 62 LEU N N 62 126.711 126.711 124.680 2.031 19643 2684 1 8 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.565 -0.365 19643 2685 1 8 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.068 0.579 19643 2686 1 8 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.277 -0.147 19643 2687 1 8 . 1 1 63 63 PHE N N 63 111.486 111.486 117.170 -5.684 19643 2688 1 8 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.182 0.261 19643 2689 1 8 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.183 -1.058 19643 2690 1 8 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.710 1.525 19643 2691 1 8 . 1 1 64 64 VAL N N 64 120.758 120.758 121.164 -0.406 19643 2692 1 8 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.573 -0.264 19643 2693 1 8 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.800 -0.236 19643 2694 1 8 . 1 1 64 64 VAL CB C 64 33.036 33.036 35.005 -1.969 19643 2695 1 8 . 1 1 65 65 ASN N N 65 126.150 126.150 122.953 3.197 19643 2696 1 8 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.375 -0.150 19643 2697 1 8 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.619 0.426 19643 2698 1 8 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.118 -1.870 19643 2699 1 8 . 1 1 67 67 VAL N N 67 124.346 124.346 120.526 3.820 19643 2700 1 8 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.377 -0.560 19643 2701 1 8 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.255 2.187 19643 2702 1 8 . 1 1 67 67 VAL CB C 67 32.045 32.045 34.267 -2.222 19643 2703 1 8 . 1 1 68 68 ASP N N 68 127.980 127.980 125.146 2.834 19643 2704 1 8 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.320 -0.349 19643 2705 1 8 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.891 -0.806 19643 2706 1 8 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.599 1.569 19643 2707 1 8 . 1 1 69 69 VAL N N 69 120.432 120.432 116.537 3.895 19643 2708 1 8 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.069 0.568 19643 2709 1 8 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.786 -3.801 19643 2710 1 8 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.094 -2.201 19643 2711 1 8 . 1 1 70 70 ARG N N 70 122.630 122.630 119.522 3.108 19643 2712 1 8 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.834 0.298 19643 2713 1 8 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.396 1.372 19643 2714 1 8 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.184 0.387 19643 2715 1 8 . 1 1 71 71 GLU N N 71 120.164 120.164 117.395 2.769 19643 2716 1 8 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.437 -0.144 19643 2717 1 8 . 1 1 71 71 GLU CA C 71 54.654 54.654 56.156 -1.502 19643 2718 1 8 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.132 0.198 19643 2719 1 8 . 1 1 72 72 VAL N N 72 118.241 118.241 117.939 0.302 19643 2720 1 8 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.688 0.116 19643 2721 1 8 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.770 -1.422 19643 2722 1 8 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.714 0.273 19643 2723 1 8 . 1 1 73 73 THR N N 73 109.907 109.907 109.525 0.382 19643 2724 1 8 . 1 1 73 73 THR HA H 73 4.311 4.311 4.631 -0.320 19643 2725 1 8 . 1 1 73 73 THR CA C 73 61.446 61.446 60.067 1.379 19643 2726 1 8 . 1 1 73 73 THR CB C 73 70.324 70.324 70.790 -0.466 19643 2727 1 8 . 1 1 74 74 HIS N N 74 122.235 122.235 122.818 -0.583 19643 2728 1 8 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.220 -0.338 19643 2729 1 8 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.741 0.928 19643 2730 1 8 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.884 -1.361 19643 2731 1 8 . 1 1 75 75 SER N N 75 111.076 111.076 113.424 -2.348 19643 2732 1 8 . 1 1 75 75 SER HA H 75 3.962 3.962 4.188 -0.226 19643 2733 1 8 . 1 1 75 75 SER CA C 75 61.889 61.889 61.455 0.435 19643 2734 1 8 . 1 1 75 75 SER CB C 75 62.708 62.708 62.722 -0.014 19643 2735 1 8 . 1 1 76 76 ALA N N 76 125.241 125.241 122.301 2.940 19643 2736 1 8 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.252 -0.188 19643 2737 1 8 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.869 1.127 19643 2738 1 8 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.425 -0.063 19643 2739 1 8 . 1 1 77 77 ALA N N 77 123.063 123.063 120.962 2.101 19643 2740 1 8 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.283 -0.483 19643 2741 1 8 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.951 1.533 19643 2742 1 8 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.404 -1.422 19643 2743 1 8 . 1 1 78 78 VAL N N 78 117.348 117.348 118.454 -1.106 19643 2744 1 8 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.622 -0.506 19643 2745 1 8 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.422 0.873 19643 2746 1 8 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.656 0.040 19643 2747 1 8 . 1 1 79 79 GLU N N 79 119.021 119.021 119.688 -0.667 19643 2748 1 8 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.982 -0.110 19643 2749 1 8 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.282 -0.042 19643 2750 1 8 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.142 -0.053 19643 2751 1 8 . 1 1 80 80 ALA N N 80 120.115 120.115 120.747 -0.632 19643 2752 1 8 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.254 -0.286 19643 2753 1 8 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.101 0.612 19643 2754 1 8 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.671 -1.615 19643 2755 1 8 . 1 1 81 81 LEU N N 81 116.561 116.561 116.420 0.141 19643 2756 1 8 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.258 -0.457 19643 2757 1 8 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.713 1.582 19643 2758 1 8 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.415 -0.793 19643 2759 1 8 . 1 1 82 82 LYS N N 82 121.600 121.600 117.578 4.022 19643 2760 1 8 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.263 -0.299 19643 2761 1 8 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.342 1.508 19643 2762 1 8 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.864 -0.002 19643 2763 1 8 . 1 1 83 83 GLU N N 83 115.395 115.395 118.260 -2.865 19643 2764 1 8 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.324 -0.015 19643 2765 1 8 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.089 -0.963 19643 2766 1 8 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.919 -1.065 19643 2767 1 8 . 1 1 84 84 ALA N N 84 119.693 119.693 121.833 -2.140 19643 2768 1 8 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.204 -0.089 19643 2769 1 8 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.483 -0.087 19643 2770 1 8 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.684 1.842 19643 2771 1 8 . 1 1 85 85 GLY N N 85 104.439 104.439 105.902 -1.463 19643 2772 1 8 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.570 -1.804 19643 2773 1 8 . 1 1 86 86 SER N N 86 115.110 115.110 113.313 1.797 19643 2774 1 8 . 1 1 86 86 SER HA H 86 4.129 4.129 4.608 -0.479 19643 2775 1 8 . 1 1 86 86 SER CA C 86 61.282 61.282 59.159 2.123 19643 2776 1 8 . 1 1 86 86 SER CB C 86 63.430 63.430 63.874 -0.444 19643 2777 1 8 . 1 1 87 87 ILE N N 87 120.535 120.535 124.449 -3.914 19643 2778 1 8 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.902 -0.259 19643 2779 1 8 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.597 0.357 19643 2780 1 8 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.297 -1.064 19643 2781 1 8 . 1 1 88 88 VAL N N 88 127.851 127.851 123.728 4.123 19643 2782 1 8 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.648 -0.390 19643 2783 1 8 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.505 1.229 19643 2784 1 8 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.451 -0.237 19643 2785 1 8 . 1 1 89 89 ARG N N 89 127.712 127.712 127.208 0.504 19643 2786 1 8 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.966 -0.175 19643 2787 1 8 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.313 0.463 19643 2788 1 8 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.825 -0.023 19643 2789 1 8 . 1 1 90 90 LEU N N 90 127.483 127.483 122.124 5.359 19643 2790 1 8 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.942 0.189 19643 2791 1 8 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.114 -0.200 19643 2792 1 8 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.978 1.129 19643 2793 1 8 . 1 1 91 91 TYR N N 91 125.830 125.830 124.503 1.327 19643 2794 1 8 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.251 0.098 19643 2795 1 8 . 1 1 91 91 TYR CA C 91 56.951 56.951 56.099 0.853 19643 2796 1 8 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.347 -0.101 19643 2797 1 8 . 1 1 92 92 VAL N N 92 121.091 121.091 120.983 0.108 19643 2798 1 8 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.975 0.499 19643 2799 1 8 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.848 -0.436 19643 2800 1 8 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.207 0.150 19643 2801 1 8 . 1 1 93 93 MET N N 93 118.712 118.712 120.115 -1.403 19643 2802 1 8 . 1 1 93 93 MET HA H 93 5.103 5.103 4.744 0.359 19643 2803 1 8 . 1 1 93 93 MET CA C 93 53.151 53.151 54.662 -1.511 19643 2804 1 8 . 1 1 93 93 MET CB C 93 36.981 36.981 34.544 2.437 19643 2805 1 8 . 1 1 94 94 ARG N N 94 122.359 122.359 122.765 -0.406 19643 2806 1 8 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.754 0.086 19643 2807 1 8 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.422 -0.417 19643 2808 1 8 . 1 1 94 94 ARG CB C 94 34.135 34.135 33.188 0.947 19643 2809 1 8 . 1 1 95 95 ARG N N 95 120.747 120.747 124.115 -3.368 19643 2810 1 8 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.357 0.259 19643 2811 1 8 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.737 -0.189 19643 2812 1 8 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.155 -0.344 19643 2813 1 8 . 1 1 96 96 LYS N N 96 125.436 125.436 125.533 -0.097 19643 2814 1 8 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.432 -0.068 19643 2815 1 8 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.198 -0.687 19643 2816 1 8 . 1 1 96 96 LYS CB C 96 32.775 32.775 32.078 0.697 19643 2817 1 9 . 1 1 2 2 ALA N N 2 123.610 123.610 127.170 -3.560 19643 2818 1 9 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.521 -0.232 19643 2819 1 9 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.860 0.830 19643 2820 1 9 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.540 -0.167 19643 2821 1 9 . 1 1 3 3 MET N N 3 119.242 119.242 116.377 2.865 19643 2822 1 9 . 1 1 3 3 MET HA H 3 4.422 4.422 4.618 -0.196 19643 2823 1 9 . 1 1 3 3 MET CA C 3 55.333 55.333 55.426 -0.093 19643 2824 1 9 . 1 1 3 3 MET CB C 3 32.744 32.744 33.043 -0.299 19643 2825 1 9 . 1 1 4 4 GLU N N 4 122.309 122.309 120.362 1.947 19643 2826 1 9 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.551 -0.251 19643 2827 1 9 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.051 1.355 19643 2828 1 9 . 1 1 4 4 GLU CB C 4 30.722 30.722 30.848 -0.126 19643 2829 1 9 . 1 1 5 5 MET N N 5 120.131 120.131 118.128 2.003 19643 2830 1 9 . 1 1 5 5 MET HA H 5 4.911 4.911 4.625 0.286 19643 2831 1 9 . 1 1 5 5 MET CA C 5 53.780 53.780 55.513 -1.733 19643 2832 1 9 . 1 1 5 5 MET CB C 5 34.203 34.203 33.428 0.775 19643 2833 1 9 . 1 1 6 6 GLU N N 6 121.438 121.438 120.213 1.225 19643 2834 1 9 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.793 -0.288 19643 2835 1 9 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.169 -0.814 19643 2836 1 9 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.475 1.559 19643 2837 1 9 . 1 1 7 7 TYR N N 7 121.043 121.043 123.746 -2.703 19643 2838 1 9 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.021 0.355 19643 2839 1 9 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.283 -1.187 19643 2840 1 9 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.361 0.950 19643 2841 1 9 . 1 1 8 8 GLU N N 8 121.986 121.986 122.930 -0.944 19643 2842 1 9 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.790 -0.404 19643 2843 1 9 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.944 1.141 19643 2844 1 9 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.428 0.482 19643 2845 1 9 . 1 1 9 9 GLU N N 9 125.727 125.727 123.269 2.458 19643 2846 1 9 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.997 0.141 19643 2847 1 9 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.648 -0.843 19643 2848 1 9 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.251 0.861 19643 2849 1 9 . 1 1 10 10 ILE N N 10 130.210 130.210 127.662 2.548 19643 2850 1 9 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.470 -0.527 19643 2851 1 9 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.523 0.669 19643 2852 1 9 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.140 1.473 19643 2853 1 9 . 1 1 11 11 THR N N 11 124.067 124.067 121.995 2.072 19643 2854 1 9 . 1 1 11 11 THR HA H 11 5.212 5.212 4.618 0.594 19643 2855 1 9 . 1 1 11 11 THR CA C 11 61.750 61.750 61.427 0.323 19643 2856 1 9 . 1 1 11 11 THR CB C 11 69.466 69.466 70.092 -0.626 19643 2857 1 9 . 1 1 12 12 LEU N N 12 125.136 125.136 126.849 -1.713 19643 2858 1 9 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.830 -0.124 19643 2859 1 9 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.301 -0.799 19643 2860 1 9 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.773 0.555 19643 2861 1 9 . 1 1 13 13 GLU N N 13 121.986 121.986 122.430 -0.444 19643 2862 1 9 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.860 0.047 19643 2863 1 9 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.151 -0.886 19643 2864 1 9 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.718 -0.439 19643 2865 1 9 . 1 1 14 14 ARG N N 14 125.922 125.922 128.729 -2.807 19643 2866 1 9 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.164 -0.621 19643 2867 1 9 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.821 1.257 19643 2868 1 9 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.526 1.046 19643 2869 1 9 . 1 1 15 15 GLY N N 15 113.035 113.035 112.556 0.479 19643 2870 1 9 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.394 -0.286 19643 2871 1 9 . 1 1 16 16 ASN N N 16 120.641 120.641 117.105 3.536 19643 2872 1 9 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.621 -0.219 19643 2873 1 9 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.581 1.299 19643 2874 1 9 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.641 -0.578 19643 2875 1 9 . 1 1 17 17 SER N N 17 111.943 111.943 113.882 -1.939 19643 2876 1 9 . 1 1 17 17 SER HA H 17 4.598 4.598 4.671 -0.073 19643 2877 1 9 . 1 1 17 17 SER CA C 17 56.829 56.829 59.050 -2.220 19643 2878 1 9 . 1 1 17 17 SER CB C 17 63.185 63.185 64.181 -0.996 19643 2879 1 9 . 1 1 18 18 GLY N N 18 108.890 108.890 109.133 -0.243 19643 2880 1 9 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.672 -0.029 19643 2881 1 9 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.840 0.348 19643 2882 1 9 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.447 -0.027 19643 2883 1 9 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.910 1.259 19643 2884 1 9 . 1 1 20 20 GLY N N 20 106.101 106.101 105.438 0.663 19643 2885 1 9 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.746 1.616 19643 2886 1 9 . 1 1 21 21 PHE N N 21 117.144 117.144 116.066 1.078 19643 2887 1 9 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.077 0.069 19643 2888 1 9 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.574 0.747 19643 2889 1 9 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.862 -0.146 19643 2890 1 9 . 1 1 22 22 SER N N 22 113.822 113.822 115.365 -1.543 19643 2891 1 9 . 1 1 22 22 SER HA H 22 5.765 5.765 4.674 1.091 19643 2892 1 9 . 1 1 22 22 SER CA C 22 56.474 56.474 57.278 -0.804 19643 2893 1 9 . 1 1 22 22 SER CB C 22 65.095 65.095 66.142 -1.047 19643 2894 1 9 . 1 1 23 23 ILE N N 23 114.674 114.674 119.780 -5.106 19643 2895 1 9 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.661 1.085 19643 2896 1 9 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.507 -1.222 19643 2897 1 9 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.654 3.025 19643 2898 1 9 . 1 1 24 24 ALA N N 24 123.084 123.084 128.984 -5.900 19643 2899 1 9 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.740 0.301 19643 2900 1 9 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.261 -1.694 19643 2901 1 9 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.089 3.675 19643 2902 1 9 . 1 1 25 25 GLY N N 25 106.991 106.991 108.936 -1.945 19643 2903 1 9 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.322 -0.418 19643 2904 1 9 . 1 1 26 26 GLY N N 26 108.474 108.474 105.440 3.034 19643 2905 1 9 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.230 -1.697 19643 2906 1 9 . 1 1 27 27 THR N N 27 113.603 113.603 111.909 1.694 19643 2907 1 9 . 1 1 27 27 THR HA H 27 3.844 3.844 4.507 -0.663 19643 2908 1 9 . 1 1 27 27 THR CA C 27 64.151 64.151 63.321 0.830 19643 2909 1 9 . 1 1 27 27 THR CB C 27 67.979 67.979 70.285 -2.306 19643 2910 1 9 . 1 1 28 28 ASP N N 28 116.979 116.979 120.539 -3.560 19643 2911 1 9 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.700 -0.179 19643 2912 1 9 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.701 -2.704 19643 2913 1 9 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.370 -2.172 19643 2914 1 9 . 1 1 29 29 ASN N N 29 119.889 119.889 120.198 -0.309 19643 2915 1 9 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.057 -0.180 19643 2916 1 9 . 1 1 29 29 ASN CA C 29 52.786 52.786 50.889 1.897 19643 2917 1 9 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.648 1.640 19643 2918 1 9 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.611 -0.023 19643 2919 1 9 . 1 1 30 30 PRO CA C 30 64.383 64.383 63.002 1.381 19643 2920 1 9 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.758 -1.033 19643 2921 1 9 . 1 1 31 31 HIS N N 31 122.889 122.889 119.075 3.814 19643 2922 1 9 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.581 0.125 19643 2923 1 9 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.803 -1.724 19643 2924 1 9 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.703 -0.055 19643 2925 1 9 . 1 1 32 32 ILE N N 32 115.082 115.082 114.482 0.600 19643 2926 1 9 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.537 -0.541 19643 2927 1 9 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.496 -3.431 19643 2928 1 9 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.535 0.698 19643 2929 1 9 . 1 1 33 33 GLY N N 33 114.196 114.196 107.541 6.655 19643 2930 1 9 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.605 1.603 19643 2931 1 9 . 1 1 34 34 ASP N N 34 124.358 124.358 119.148 5.210 19643 2932 1 9 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.437 0.150 19643 2933 1 9 . 1 1 34 34 ASP CA C 34 52.616 52.616 54.539 -1.923 19643 2934 1 9 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.577 0.074 19643 2935 1 9 . 1 1 35 35 ASP N N 35 123.575 123.575 122.602 0.973 19643 2936 1 9 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.929 -0.152 19643 2937 1 9 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.049 -0.514 19643 2938 1 9 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.224 -0.316 19643 2939 1 9 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.694 -0.200 19643 2940 1 9 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.635 -0.315 19643 2941 1 9 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.491 0.454 19643 2942 1 9 . 1 1 37 37 SER N N 37 117.452 117.452 114.751 2.701 19643 2943 1 9 . 1 1 37 37 SER HA H 37 4.077 4.077 4.453 -0.376 19643 2944 1 9 . 1 1 37 37 SER CA C 37 60.109 60.109 57.123 2.986 19643 2945 1 9 . 1 1 37 37 SER CB C 37 63.043 63.043 64.091 -1.048 19643 2946 1 9 . 1 1 38 38 ILE N N 38 123.464 123.464 121.582 1.882 19643 2947 1 9 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.477 0.201 19643 2948 1 9 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.148 -1.657 19643 2949 1 9 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.700 -1.795 19643 2950 1 9 . 1 1 39 39 PHE N N 39 124.567 124.567 123.734 0.833 19643 2951 1 9 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.885 0.457 19643 2952 1 9 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.703 0.870 19643 2953 1 9 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.008 1.087 19643 2954 1 9 . 1 1 40 40 ILE N N 40 119.768 119.768 119.432 0.336 19643 2955 1 9 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.385 0.216 19643 2956 1 9 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.394 -0.098 19643 2957 1 9 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.136 -0.103 19643 2958 1 9 . 1 1 41 41 THR N N 41 118.591 118.591 115.155 3.436 19643 2959 1 9 . 1 1 41 41 THR HA H 41 4.530 4.530 4.502 0.028 19643 2960 1 9 . 1 1 41 41 THR CA C 41 62.101 62.101 61.735 0.366 19643 2961 1 9 . 1 1 41 41 THR CB C 41 68.728 68.728 70.944 -2.216 19643 2962 1 9 . 1 1 42 42 LYS N N 42 121.511 121.511 123.388 -1.877 19643 2963 1 9 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.670 -0.397 19643 2964 1 9 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.598 0.967 19643 2965 1 9 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.871 1.205 19643 2966 1 9 . 1 1 43 43 ILE N N 43 126.187 126.187 124.354 1.833 19643 2967 1 9 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.440 -0.150 19643 2968 1 9 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.235 1.687 19643 2969 1 9 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.729 -1.546 19643 2970 1 9 . 1 1 44 44 ILE N N 44 128.532 128.532 129.072 -0.540 19643 2971 1 9 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.432 -0.278 19643 2972 1 9 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.856 0.163 19643 2973 1 9 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.025 0.191 19643 2974 1 9 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.393 -0.212 19643 2975 1 9 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.489 -0.376 19643 2976 1 9 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.873 -0.488 19643 2977 1 9 . 1 1 46 46 GLY N N 46 111.733 111.733 106.628 5.105 19643 2978 1 9 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.421 0.942 19643 2979 1 9 . 1 1 47 47 GLY N N 47 106.686 106.686 108.333 -1.647 19643 2980 1 9 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.769 0.882 19643 2981 1 9 . 1 1 48 48 ALA N N 48 120.883 120.883 122.171 -1.288 19643 2982 1 9 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.283 -0.255 19643 2983 1 9 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.189 1.394 19643 2984 1 9 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.476 -1.522 19643 2985 1 9 . 1 1 49 49 ALA N N 49 119.457 119.457 119.996 -0.539 19643 2986 1 9 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.167 0.011 19643 2987 1 9 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.702 0.106 19643 2988 1 9 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.335 0.539 19643 2989 1 9 . 1 1 50 50 ALA N N 50 127.017 127.017 119.737 7.280 19643 2990 1 9 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.556 -0.643 19643 2991 1 9 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.758 1.146 19643 2992 1 9 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.757 0.031 19643 2993 1 9 . 1 1 51 51 GLN N N 51 117.131 117.131 117.961 -0.830 19643 2994 1 9 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.304 -0.403 19643 2995 1 9 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.797 0.741 19643 2996 1 9 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.452 -0.754 19643 2997 1 9 . 1 1 52 52 ASP N N 52 118.091 118.091 118.863 -0.772 19643 2998 1 9 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.735 -0.374 19643 2999 1 9 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.464 1.437 19643 3000 1 9 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.477 2.234 19643 3001 1 9 . 1 1 53 53 GLY N N 53 102.763 102.763 107.615 -4.852 19643 3002 1 9 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.390 0.975 19643 3003 1 9 . 1 1 54 54 ARG N N 54 119.861 119.861 117.762 2.099 19643 3004 1 9 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.003 0.170 19643 3005 1 9 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.767 2.608 19643 3006 1 9 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.608 5.697 19643 3007 1 9 . 1 1 55 55 LEU N N 55 120.459 120.459 121.460 -1.001 19643 3008 1 9 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.626 -0.858 19643 3009 1 9 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.141 1.097 19643 3010 1 9 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.049 -0.709 19643 3011 1 9 . 1 1 56 56 ARG N N 56 122.213 122.213 125.324 -3.111 19643 3012 1 9 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.597 -0.157 19643 3013 1 9 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.899 -1.690 19643 3014 1 9 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.117 0.713 19643 3015 1 9 . 1 1 57 57 VAL N N 57 120.461 120.461 122.120 -1.659 19643 3016 1 9 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.809 -0.657 19643 3017 1 9 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.029 0.495 19643 3018 1 9 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.119 -0.958 19643 3019 1 9 . 1 1 58 58 ASN N N 58 120.800 120.800 114.865 5.935 19643 3020 1 9 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.709 -0.419 19643 3021 1 9 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.485 2.863 19643 3022 1 9 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.229 -1.236 19643 3023 1 9 . 1 1 59 59 ASP N N 59 122.628 122.628 119.215 3.413 19643 3024 1 9 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.637 -0.084 19643 3025 1 9 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.834 0.577 19643 3026 1 9 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.128 -1.428 19643 3027 1 9 . 1 1 60 60 SER N N 60 115.152 115.152 112.208 2.944 19643 3028 1 9 . 1 1 60 60 SER HA H 60 5.391 5.391 4.212 1.179 19643 3029 1 9 . 1 1 60 60 SER CA C 60 55.105 55.105 59.300 -4.195 19643 3030 1 9 . 1 1 60 60 SER CB C 60 65.259 65.259 63.791 1.468 19643 3031 1 9 . 1 1 61 61 ILE N N 61 123.216 123.216 121.805 1.411 19643 3032 1 9 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.152 -0.244 19643 3033 1 9 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.758 -0.294 19643 3034 1 9 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.018 1.060 19643 3035 1 9 . 1 1 62 62 LEU N N 62 126.711 126.711 123.712 2.999 19643 3036 1 9 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.610 -0.410 19643 3037 1 9 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.011 0.636 19643 3038 1 9 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.387 -0.257 19643 3039 1 9 . 1 1 63 63 PHE N N 63 111.486 111.486 117.413 -5.927 19643 3040 1 9 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.204 0.239 19643 3041 1 9 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.694 -0.569 19643 3042 1 9 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.535 1.700 19643 3043 1 9 . 1 1 64 64 VAL N N 64 120.758 120.758 117.405 3.353 19643 3044 1 9 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.869 -0.560 19643 3045 1 9 . 1 1 64 64 VAL CA C 64 60.564 60.564 59.779 0.785 19643 3046 1 9 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.097 -0.061 19643 3047 1 9 . 1 1 65 65 ASN N N 65 126.150 126.150 122.811 3.339 19643 3048 1 9 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.313 -0.088 19643 3049 1 9 . 1 1 65 65 ASN CA C 65 56.045 56.045 57.145 -1.100 19643 3050 1 9 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.984 -1.736 19643 3051 1 9 . 1 1 67 67 VAL N N 67 124.346 124.346 119.752 4.594 19643 3052 1 9 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.681 -0.864 19643 3053 1 9 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.507 2.935 19643 3054 1 9 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.922 -1.877 19643 3055 1 9 . 1 1 68 68 ASP N N 68 127.980 127.980 122.903 5.077 19643 3056 1 9 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.291 -0.320 19643 3057 1 9 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.480 -0.395 19643 3058 1 9 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.128 1.041 19643 3059 1 9 . 1 1 69 69 VAL N N 69 120.432 120.432 121.877 -1.445 19643 3060 1 9 . 1 1 69 69 VAL HA H 69 4.637 4.637 3.973 0.664 19643 3061 1 9 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.356 -3.371 19643 3062 1 9 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.523 -2.630 19643 3063 1 9 . 1 1 70 70 ARG N N 70 122.630 122.630 120.044 2.586 19643 3064 1 9 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.878 0.254 19643 3065 1 9 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.658 2.110 19643 3066 1 9 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.099 0.472 19643 3067 1 9 . 1 1 71 71 GLU N N 71 120.164 120.164 118.559 1.605 19643 3068 1 9 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.414 -0.121 19643 3069 1 9 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.797 -1.143 19643 3070 1 9 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.671 -0.341 19643 3071 1 9 . 1 1 72 72 VAL N N 72 118.241 118.241 118.620 -0.379 19643 3072 1 9 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.532 0.272 19643 3073 1 9 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.562 -1.214 19643 3074 1 9 . 1 1 72 72 VAL CB C 72 35.987 35.987 34.898 1.089 19643 3075 1 9 . 1 1 73 73 THR N N 73 109.907 109.907 110.736 -0.829 19643 3076 1 9 . 1 1 73 73 THR HA H 73 4.311 4.311 4.553 -0.242 19643 3077 1 9 . 1 1 73 73 THR CA C 73 61.446 61.446 61.271 0.175 19643 3078 1 9 . 1 1 73 73 THR CB C 73 70.324 70.324 70.280 0.044 19643 3079 1 9 . 1 1 74 74 HIS N N 74 122.235 122.235 119.799 2.436 19643 3080 1 9 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.119 -0.237 19643 3081 1 9 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.323 2.346 19643 3082 1 9 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.162 -0.639 19643 3083 1 9 . 1 1 75 75 SER N N 75 111.076 111.076 114.285 -3.209 19643 3084 1 9 . 1 1 75 75 SER HA H 75 3.962 3.962 4.075 -0.113 19643 3085 1 9 . 1 1 75 75 SER CA C 75 61.889 61.889 60.193 1.696 19643 3086 1 9 . 1 1 75 75 SER CB C 75 62.708 62.708 62.274 0.434 19643 3087 1 9 . 1 1 76 76 ALA N N 76 125.241 125.241 121.083 4.158 19643 3088 1 9 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.209 -0.145 19643 3089 1 9 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.799 1.197 19643 3090 1 9 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.488 -0.126 19643 3091 1 9 . 1 1 77 77 ALA N N 77 123.063 123.063 120.104 2.959 19643 3092 1 9 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.384 -0.584 19643 3093 1 9 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.611 1.873 19643 3094 1 9 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.457 -1.475 19643 3095 1 9 . 1 1 78 78 VAL N N 78 117.348 117.348 118.642 -1.294 19643 3096 1 9 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.621 -0.505 19643 3097 1 9 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.316 0.979 19643 3098 1 9 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.879 -0.183 19643 3099 1 9 . 1 1 79 79 GLU N N 79 119.021 119.021 119.472 -0.451 19643 3100 1 9 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.035 -0.163 19643 3101 1 9 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.105 0.135 19643 3102 1 9 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.281 -0.192 19643 3103 1 9 . 1 1 80 80 ALA N N 80 120.115 120.115 120.306 -0.191 19643 3104 1 9 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.278 -0.310 19643 3105 1 9 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.072 0.642 19643 3106 1 9 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.848 -1.792 19643 3107 1 9 . 1 1 81 81 LEU N N 81 116.561 116.561 116.277 0.284 19643 3108 1 9 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.300 -0.499 19643 3109 1 9 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.637 1.658 19643 3110 1 9 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.542 -0.920 19643 3111 1 9 . 1 1 82 82 LYS N N 82 121.600 121.600 117.769 3.831 19643 3112 1 9 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.231 -0.267 19643 3113 1 9 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.381 1.469 19643 3114 1 9 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.992 -0.130 19643 3115 1 9 . 1 1 83 83 GLU N N 83 115.395 115.395 117.770 -2.375 19643 3116 1 9 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.255 0.054 19643 3117 1 9 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.170 -1.044 19643 3118 1 9 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.714 -0.860 19643 3119 1 9 . 1 1 84 84 ALA N N 84 119.693 119.693 121.718 -2.025 19643 3120 1 9 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.231 -0.116 19643 3121 1 9 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.348 0.048 19643 3122 1 9 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.727 1.799 19643 3123 1 9 . 1 1 85 85 GLY N N 85 104.439 104.439 106.089 -1.650 19643 3124 1 9 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.953 -2.187 19643 3125 1 9 . 1 1 86 86 SER N N 86 115.110 115.110 114.066 1.044 19643 3126 1 9 . 1 1 86 86 SER HA H 86 4.129 4.129 4.654 -0.525 19643 3127 1 9 . 1 1 86 86 SER CA C 86 61.282 61.282 59.160 2.122 19643 3128 1 9 . 1 1 86 86 SER CB C 86 63.430 63.430 64.990 -1.560 19643 3129 1 9 . 1 1 87 87 ILE N N 87 120.535 120.535 122.981 -2.446 19643 3130 1 9 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.830 -0.187 19643 3131 1 9 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.374 0.580 19643 3132 1 9 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.699 -0.466 19643 3133 1 9 . 1 1 88 88 VAL N N 88 127.851 127.851 122.500 5.351 19643 3134 1 9 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.704 -0.446 19643 3135 1 9 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.124 1.610 19643 3136 1 9 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.312 -0.098 19643 3137 1 9 . 1 1 89 89 ARG N N 89 127.712 127.712 127.506 0.206 19643 3138 1 9 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.965 -0.174 19643 3139 1 9 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.316 0.460 19643 3140 1 9 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.992 -0.190 19643 3141 1 9 . 1 1 90 90 LEU N N 90 127.483 127.483 122.425 5.058 19643 3142 1 9 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.981 0.150 19643 3143 1 9 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.059 -0.145 19643 3144 1 9 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.780 1.327 19643 3145 1 9 . 1 1 91 91 TYR N N 91 125.830 125.830 125.658 0.172 19643 3146 1 9 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.342 0.007 19643 3147 1 9 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.865 1.086 19643 3148 1 9 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.365 -0.119 19643 3149 1 9 . 1 1 92 92 VAL N N 92 121.091 121.091 123.092 -2.001 19643 3150 1 9 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.019 0.455 19643 3151 1 9 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.734 -0.322 19643 3152 1 9 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.014 0.343 19643 3153 1 9 . 1 1 93 93 MET N N 93 118.712 118.712 119.854 -1.142 19643 3154 1 9 . 1 1 93 93 MET HA H 93 5.103 5.103 4.693 0.410 19643 3155 1 9 . 1 1 93 93 MET CA C 93 53.151 53.151 54.271 -1.120 19643 3156 1 9 . 1 1 93 93 MET CB C 93 36.981 36.981 34.224 2.757 19643 3157 1 9 . 1 1 94 94 ARG N N 94 122.359 122.359 123.553 -1.194 19643 3158 1 9 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.718 0.122 19643 3159 1 9 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.397 -0.392 19643 3160 1 9 . 1 1 94 94 ARG CB C 94 34.135 34.135 33.701 0.434 19643 3161 1 9 . 1 1 95 95 ARG N N 95 120.747 120.747 123.536 -2.789 19643 3162 1 9 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.312 0.304 19643 3163 1 9 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.549 -0.001 19643 3164 1 9 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.200 -0.388 19643 3165 1 9 . 1 1 96 96 LYS N N 96 125.436 125.436 124.517 0.919 19643 3166 1 9 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.369 -0.005 19643 3167 1 9 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.299 -0.788 19643 3168 1 9 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.376 1.399 19643 3169 1 10 . 1 1 2 2 ALA N N 2 123.610 123.610 128.113 -4.503 19643 3170 1 10 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.893 -0.604 19643 3171 1 10 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.856 0.834 19643 3172 1 10 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.284 -0.911 19643 3173 1 10 . 1 1 3 3 MET N N 3 119.242 119.242 119.840 -0.598 19643 3174 1 10 . 1 1 3 3 MET HA H 3 4.422 4.422 4.695 -0.273 19643 3175 1 10 . 1 1 3 3 MET CA C 3 55.333 55.333 55.449 -0.116 19643 3176 1 10 . 1 1 3 3 MET CB C 3 32.744 32.744 32.940 -0.196 19643 3177 1 10 . 1 1 4 4 GLU N N 4 122.309 122.309 120.156 2.153 19643 3178 1 10 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.513 -0.213 19643 3179 1 10 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.238 1.168 19643 3180 1 10 . 1 1 4 4 GLU CB C 4 30.722 30.722 30.994 -0.272 19643 3181 1 10 . 1 1 5 5 MET N N 5 120.131 120.131 117.949 2.182 19643 3182 1 10 . 1 1 5 5 MET HA H 5 4.911 4.911 4.574 0.337 19643 3183 1 10 . 1 1 5 5 MET CA C 5 53.780 53.780 55.609 -1.829 19643 3184 1 10 . 1 1 5 5 MET CB C 5 34.203 34.203 33.354 0.849 19643 3185 1 10 . 1 1 6 6 GLU N N 6 121.438 121.438 119.879 1.559 19643 3186 1 10 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.796 -0.291 19643 3187 1 10 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.187 -0.832 19643 3188 1 10 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.479 1.555 19643 3189 1 10 . 1 1 7 7 TYR N N 7 121.043 121.043 123.670 -2.627 19643 3190 1 10 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.013 0.363 19643 3191 1 10 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.342 -1.246 19643 3192 1 10 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.133 1.178 19643 3193 1 10 . 1 1 8 8 GLU N N 8 121.986 121.986 123.470 -1.484 19643 3194 1 10 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.784 -0.398 19643 3195 1 10 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.597 1.488 19643 3196 1 10 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.278 0.632 19643 3197 1 10 . 1 1 9 9 GLU N N 9 125.727 125.727 125.025 0.702 19643 3198 1 10 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.958 0.180 19643 3199 1 10 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.577 -0.772 19643 3200 1 10 . 1 1 9 9 GLU CB C 9 31.112 31.112 29.992 1.120 19643 3201 1 10 . 1 1 10 10 ILE N N 10 130.210 130.210 127.501 2.709 19643 3202 1 10 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.485 -0.542 19643 3203 1 10 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.466 0.726 19643 3204 1 10 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.126 1.487 19643 3205 1 10 . 1 1 11 11 THR N N 11 124.067 124.067 119.587 4.480 19643 3206 1 10 . 1 1 11 11 THR HA H 11 5.212 5.212 4.694 0.518 19643 3207 1 10 . 1 1 11 11 THR CA C 11 61.750 61.750 61.303 0.447 19643 3208 1 10 . 1 1 11 11 THR CB C 11 69.466 69.466 69.907 -0.441 19643 3209 1 10 . 1 1 12 12 LEU N N 12 125.136 125.136 125.182 -0.046 19643 3210 1 10 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.874 -0.168 19643 3211 1 10 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.486 -0.984 19643 3212 1 10 . 1 1 12 12 LEU CB C 12 46.328 46.328 46.087 0.241 19643 3213 1 10 . 1 1 13 13 GLU N N 13 121.986 121.986 120.439 1.547 19643 3214 1 10 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.724 0.183 19643 3215 1 10 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.444 -1.179 19643 3216 1 10 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.523 -0.244 19643 3217 1 10 . 1 1 14 14 ARG N N 14 125.922 125.922 126.349 -0.427 19643 3218 1 10 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.190 -0.647 19643 3219 1 10 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.103 1.975 19643 3220 1 10 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.131 1.440 19643 3221 1 10 . 1 1 15 15 GLY N N 15 113.035 113.035 117.371 -4.336 19643 3222 1 10 . 1 1 15 15 GLY CA C 15 44.108 44.108 46.756 -2.648 19643 3223 1 10 . 1 1 16 16 ASN N N 16 120.641 120.641 121.571 -0.930 19643 3224 1 10 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.550 -0.148 19643 3225 1 10 . 1 1 16 16 ASN CA C 16 55.880 55.880 55.255 0.625 19643 3226 1 10 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.298 -0.235 19643 3227 1 10 . 1 1 17 17 SER N N 17 111.943 111.943 114.786 -2.843 19643 3228 1 10 . 1 1 17 17 SER HA H 17 4.598 4.598 4.521 0.077 19643 3229 1 10 . 1 1 17 17 SER CA C 17 56.829 56.829 58.728 -1.899 19643 3230 1 10 . 1 1 17 17 SER CB C 17 63.185 63.185 64.031 -0.846 19643 3231 1 10 . 1 1 18 18 GLY N N 18 108.890 108.890 110.662 -1.772 19643 3232 1 10 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.514 0.129 19643 3233 1 10 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.303 -0.115 19643 3234 1 10 . 1 1 19 19 LEU CA C 19 56.420 56.420 55.348 1.072 19643 3235 1 10 . 1 1 19 19 LEU CB C 19 42.169 42.169 42.024 0.145 19643 3236 1 10 . 1 1 20 20 GLY N N 20 106.101 106.101 114.660 -8.559 19643 3237 1 10 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.510 1.852 19643 3238 1 10 . 1 1 21 21 PHE N N 21 117.144 117.144 117.710 -0.566 19643 3239 1 10 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.881 0.265 19643 3240 1 10 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.962 0.359 19643 3241 1 10 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.681 0.035 19643 3242 1 10 . 1 1 22 22 SER N N 22 113.822 113.822 114.638 -0.816 19643 3243 1 10 . 1 1 22 22 SER HA H 22 5.765 5.765 4.681 1.084 19643 3244 1 10 . 1 1 22 22 SER CA C 22 56.474 56.474 57.186 -0.712 19643 3245 1 10 . 1 1 22 22 SER CB C 22 65.095 65.095 65.704 -0.609 19643 3246 1 10 . 1 1 23 23 ILE N N 23 114.674 114.674 119.313 -4.639 19643 3247 1 10 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.592 1.154 19643 3248 1 10 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.350 -1.066 19643 3249 1 10 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.261 3.418 19643 3250 1 10 . 1 1 24 24 ALA N N 24 123.084 123.084 128.365 -5.281 19643 3251 1 10 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.989 0.052 19643 3252 1 10 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.740 -1.173 19643 3253 1 10 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.782 2.982 19643 3254 1 10 . 1 1 25 25 GLY N N 25 106.991 106.991 109.255 -2.264 19643 3255 1 10 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.247 -0.343 19643 3256 1 10 . 1 1 26 26 GLY N N 26 108.474 108.474 105.265 3.209 19643 3257 1 10 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.353 -1.820 19643 3258 1 10 . 1 1 27 27 THR N N 27 113.603 113.603 112.863 0.740 19643 3259 1 10 . 1 1 27 27 THR HA H 27 3.844 3.844 4.479 -0.635 19643 3260 1 10 . 1 1 27 27 THR CA C 27 64.151 64.151 63.609 0.542 19643 3261 1 10 . 1 1 27 27 THR CB C 27 67.979 67.979 70.335 -2.356 19643 3262 1 10 . 1 1 28 28 ASP N N 28 116.979 116.979 119.531 -2.552 19643 3263 1 10 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.665 -0.144 19643 3264 1 10 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.375 -2.378 19643 3265 1 10 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.234 -2.036 19643 3266 1 10 . 1 1 29 29 ASN N N 29 119.889 119.889 120.073 -0.184 19643 3267 1 10 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.124 -0.247 19643 3268 1 10 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.663 1.123 19643 3269 1 10 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.321 1.967 19643 3270 1 10 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.781 -0.193 19643 3271 1 10 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.816 1.567 19643 3272 1 10 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.692 -0.967 19643 3273 1 10 . 1 1 31 31 HIS N N 31 122.889 122.889 121.122 1.767 19643 3274 1 10 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.543 0.163 19643 3275 1 10 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.806 -1.728 19643 3276 1 10 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.389 0.260 19643 3277 1 10 . 1 1 32 32 ILE N N 32 115.082 115.082 118.362 -3.280 19643 3278 1 10 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.146 -0.150 19643 3279 1 10 . 1 1 32 32 ILE CA C 32 59.065 59.065 60.962 -1.897 19643 3280 1 10 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.512 1.721 19643 3281 1 10 . 1 1 33 33 GLY N N 33 114.196 114.196 110.002 4.194 19643 3282 1 10 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.527 2.681 19643 3283 1 10 . 1 1 34 34 ASP N N 34 124.358 124.358 118.508 5.850 19643 3284 1 10 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.491 0.096 19643 3285 1 10 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.943 -3.327 19643 3286 1 10 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.434 0.217 19643 3287 1 10 . 1 1 35 35 ASP N N 35 123.575 123.575 120.842 2.733 19643 3288 1 10 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.885 -0.107 19643 3289 1 10 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.039 0.496 19643 3290 1 10 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.889 0.019 19643 3291 1 10 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.680 -0.186 19643 3292 1 10 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.283 0.037 19643 3293 1 10 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.519 0.426 19643 3294 1 10 . 1 1 37 37 SER N N 37 117.452 117.452 113.593 3.859 19643 3295 1 10 . 1 1 37 37 SER HA H 37 4.077 4.077 4.651 -0.574 19643 3296 1 10 . 1 1 37 37 SER CA C 37 60.109 60.109 58.366 1.743 19643 3297 1 10 . 1 1 37 37 SER CB C 37 63.043 63.043 64.829 -1.786 19643 3298 1 10 . 1 1 38 38 ILE N N 38 123.464 123.464 123.613 -0.149 19643 3299 1 10 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.562 0.116 19643 3300 1 10 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.426 -1.935 19643 3301 1 10 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.295 -1.390 19643 3302 1 10 . 1 1 39 39 PHE N N 39 124.567 124.567 128.341 -3.774 19643 3303 1 10 . 1 1 39 39 PHE HA H 39 5.342 5.342 5.014 0.328 19643 3304 1 10 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.254 1.319 19643 3305 1 10 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.332 0.763 19643 3306 1 10 . 1 1 40 40 ILE N N 40 119.768 119.768 123.449 -3.681 19643 3307 1 10 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.219 0.382 19643 3308 1 10 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.074 0.222 19643 3309 1 10 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.214 -0.181 19643 3310 1 10 . 1 1 41 41 THR N N 41 118.591 118.591 115.574 3.017 19643 3311 1 10 . 1 1 41 41 THR HA H 41 4.530 4.530 4.272 0.258 19643 3312 1 10 . 1 1 41 41 THR CA C 41 62.101 62.101 62.040 0.061 19643 3313 1 10 . 1 1 41 41 THR CB C 41 68.728 68.728 71.035 -2.307 19643 3314 1 10 . 1 1 42 42 LYS N N 42 121.511 121.511 123.321 -1.810 19643 3315 1 10 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.599 -0.326 19643 3316 1 10 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.166 1.399 19643 3317 1 10 . 1 1 42 42 LYS CB C 42 36.076 36.076 33.942 2.134 19643 3318 1 10 . 1 1 43 43 ILE N N 43 126.187 126.187 125.908 0.279 19643 3319 1 10 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.373 -0.083 19643 3320 1 10 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.212 1.710 19643 3321 1 10 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.425 -1.242 19643 3322 1 10 . 1 1 44 44 ILE N N 44 128.532 128.532 129.584 -1.052 19643 3323 1 10 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.342 -0.188 19643 3324 1 10 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.280 -0.261 19643 3325 1 10 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.947 0.270 19643 3326 1 10 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.386 -0.205 19643 3327 1 10 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.408 -0.295 19643 3328 1 10 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.897 -0.512 19643 3329 1 10 . 1 1 46 46 GLY N N 46 111.733 111.733 106.878 4.855 19643 3330 1 10 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.379 0.984 19643 3331 1 10 . 1 1 47 47 GLY N N 47 106.686 106.686 108.573 -1.887 19643 3332 1 10 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.681 0.970 19643 3333 1 10 . 1 1 48 48 ALA N N 48 120.883 120.883 121.672 -0.789 19643 3334 1 10 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.330 -0.302 19643 3335 1 10 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.481 1.102 19643 3336 1 10 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.179 -1.225 19643 3337 1 10 . 1 1 49 49 ALA N N 49 119.457 119.457 120.195 -0.738 19643 3338 1 10 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.159 0.019 19643 3339 1 10 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.293 0.515 19643 3340 1 10 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.133 0.741 19643 3341 1 10 . 1 1 50 50 ALA N N 50 127.017 127.017 119.751 7.266 19643 3342 1 10 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.413 -0.500 19643 3343 1 10 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.645 1.258 19643 3344 1 10 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.790 -0.002 19643 3345 1 10 . 1 1 51 51 GLN N N 51 117.131 117.131 117.945 -0.814 19643 3346 1 10 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.314 -0.413 19643 3347 1 10 . 1 1 51 51 GLN CA C 51 58.538 58.538 58.002 0.536 19643 3348 1 10 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.432 -0.734 19643 3349 1 10 . 1 1 52 52 ASP N N 52 118.091 118.091 118.296 -0.205 19643 3350 1 10 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.689 -0.328 19643 3351 1 10 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.447 1.453 19643 3352 1 10 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.839 1.873 19643 3353 1 10 . 1 1 53 53 GLY N N 53 102.763 102.763 107.534 -4.771 19643 3354 1 10 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.236 1.129 19643 3355 1 10 . 1 1 54 54 ARG N N 54 119.861 119.861 118.004 1.857 19643 3356 1 10 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.985 0.188 19643 3357 1 10 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.979 2.396 19643 3358 1 10 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.073 5.233 19643 3359 1 10 . 1 1 55 55 LEU N N 55 120.459 120.459 121.219 -0.760 19643 3360 1 10 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.630 -0.862 19643 3361 1 10 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.003 1.235 19643 3362 1 10 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.064 -0.724 19643 3363 1 10 . 1 1 56 56 ARG N N 56 122.213 122.213 125.056 -2.843 19643 3364 1 10 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.529 -0.089 19643 3365 1 10 . 1 1 56 56 ARG CA C 56 53.209 53.209 55.052 -1.843 19643 3366 1 10 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.983 0.847 19643 3367 1 10 . 1 1 57 57 VAL N N 57 120.461 120.461 122.094 -1.633 19643 3368 1 10 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.749 -0.597 19643 3369 1 10 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.818 0.706 19643 3370 1 10 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.931 -0.770 19643 3371 1 10 . 1 1 58 58 ASN N N 58 120.800 120.800 112.534 8.266 19643 3372 1 10 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.700 -0.410 19643 3373 1 10 . 1 1 58 58 ASN CA C 58 56.348 56.348 52.984 3.364 19643 3374 1 10 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.480 -0.487 19643 3375 1 10 . 1 1 59 59 ASP N N 59 122.628 122.628 120.094 2.534 19643 3376 1 10 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.660 -0.107 19643 3377 1 10 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.913 0.498 19643 3378 1 10 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.941 -1.242 19643 3379 1 10 . 1 1 60 60 SER N N 60 115.152 115.152 112.398 2.754 19643 3380 1 10 . 1 1 60 60 SER HA H 60 5.391 5.391 4.131 1.260 19643 3381 1 10 . 1 1 60 60 SER CA C 60 55.105 55.105 59.296 -4.191 19643 3382 1 10 . 1 1 60 60 SER CB C 60 65.259 65.259 63.324 1.935 19643 3383 1 10 . 1 1 61 61 ILE N N 61 123.216 123.216 122.709 0.507 19643 3384 1 10 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.198 -0.290 19643 3385 1 10 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.803 -0.339 19643 3386 1 10 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.822 1.256 19643 3387 1 10 . 1 1 62 62 LEU N N 62 126.711 126.711 123.256 3.455 19643 3388 1 10 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.665 -0.465 19643 3389 1 10 . 1 1 62 62 LEU CA C 62 56.647 56.647 55.812 0.834 19643 3390 1 10 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.488 -0.358 19643 3391 1 10 . 1 1 63 63 PHE N N 63 111.486 111.486 117.172 -5.686 19643 3392 1 10 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.199 0.244 19643 3393 1 10 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.777 -0.652 19643 3394 1 10 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.779 1.456 19643 3395 1 10 . 1 1 64 64 VAL N N 64 120.758 120.758 117.628 3.130 19643 3396 1 10 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.985 -0.676 19643 3397 1 10 . 1 1 64 64 VAL CA C 64 60.564 60.564 59.621 0.943 19643 3398 1 10 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.326 -0.290 19643 3399 1 10 . 1 1 65 65 ASN N N 65 126.150 126.150 124.255 1.895 19643 3400 1 10 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.254 -0.029 19643 3401 1 10 . 1 1 65 65 ASN CA C 65 56.045 56.045 57.062 -1.017 19643 3402 1 10 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.761 -1.514 19643 3403 1 10 . 1 1 67 67 VAL N N 67 124.346 124.346 118.666 5.680 19643 3404 1 10 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.754 -0.937 19643 3405 1 10 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.021 3.421 19643 3406 1 10 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.926 -1.881 19643 3407 1 10 . 1 1 68 68 ASP N N 68 127.980 127.980 122.069 5.911 19643 3408 1 10 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.246 -0.275 19643 3409 1 10 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.126 -0.041 19643 3410 1 10 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.141 1.028 19643 3411 1 10 . 1 1 69 69 VAL N N 69 120.432 120.432 118.498 1.934 19643 3412 1 10 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.061 0.576 19643 3413 1 10 . 1 1 69 69 VAL CA C 69 58.985 58.985 61.230 -2.245 19643 3414 1 10 . 1 1 69 69 VAL CB C 69 29.893 29.893 31.408 -1.515 19643 3415 1 10 . 1 1 70 70 ARG N N 70 122.630 122.630 120.072 2.558 19643 3416 1 10 . 1 1 70 70 ARG HA H 70 4.132 4.132 4.202 -0.070 19643 3417 1 10 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.075 1.693 19643 3418 1 10 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.841 -0.270 19643 3419 1 10 . 1 1 71 71 GLU N N 71 120.164 120.164 117.516 2.648 19643 3420 1 10 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.660 -0.367 19643 3421 1 10 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.438 -0.784 19643 3422 1 10 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.470 -0.140 19643 3423 1 10 . 1 1 72 72 VAL N N 72 118.241 118.241 118.848 -0.607 19643 3424 1 10 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.631 0.173 19643 3425 1 10 . 1 1 72 72 VAL CA C 72 58.348 58.348 60.313 -1.965 19643 3426 1 10 . 1 1 72 72 VAL CB C 72 35.987 35.987 34.694 1.293 19643 3427 1 10 . 1 1 73 73 THR N N 73 109.907 109.907 110.589 -0.682 19643 3428 1 10 . 1 1 73 73 THR HA H 73 4.311 4.311 4.500 -0.189 19643 3429 1 10 . 1 1 73 73 THR CA C 73 61.446 61.446 61.351 0.095 19643 3430 1 10 . 1 1 73 73 THR CB C 73 70.324 70.324 70.549 -0.225 19643 3431 1 10 . 1 1 74 74 HIS N N 74 122.235 122.235 122.766 -0.531 19643 3432 1 10 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.165 -0.283 19643 3433 1 10 . 1 1 74 74 HIS CA C 74 61.669 61.669 61.075 0.594 19643 3434 1 10 . 1 1 74 74 HIS CB C 74 28.523 28.523 30.107 -1.584 19643 3435 1 10 . 1 1 75 75 SER N N 75 111.076 111.076 113.644 -2.568 19643 3436 1 10 . 1 1 75 75 SER HA H 75 3.962 3.962 4.207 -0.245 19643 3437 1 10 . 1 1 75 75 SER CA C 75 61.889 61.889 61.454 0.435 19643 3438 1 10 . 1 1 75 75 SER CB C 75 62.708 62.708 62.821 -0.113 19643 3439 1 10 . 1 1 76 76 ALA N N 76 125.241 125.241 121.713 3.528 19643 3440 1 10 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.206 -0.142 19643 3441 1 10 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.991 1.005 19643 3442 1 10 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.397 -0.035 19643 3443 1 10 . 1 1 77 77 ALA N N 77 123.063 123.063 120.528 2.535 19643 3444 1 10 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.379 -0.579 19643 3445 1 10 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.944 1.540 19643 3446 1 10 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.110 -1.128 19643 3447 1 10 . 1 1 78 78 VAL N N 78 117.348 117.348 118.259 -0.911 19643 3448 1 10 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.785 -0.669 19643 3449 1 10 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.470 1.825 19643 3450 1 10 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.409 0.287 19643 3451 1 10 . 1 1 79 79 GLU N N 79 119.021 119.021 119.694 -0.673 19643 3452 1 10 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.010 -0.138 19643 3453 1 10 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.357 -0.117 19643 3454 1 10 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.235 -0.146 19643 3455 1 10 . 1 1 80 80 ALA N N 80 120.115 120.115 121.150 -1.035 19643 3456 1 10 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.233 -0.265 19643 3457 1 10 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.415 0.298 19643 3458 1 10 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.483 -1.427 19643 3459 1 10 . 1 1 81 81 LEU N N 81 116.561 116.561 115.625 0.936 19643 3460 1 10 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.313 -0.512 19643 3461 1 10 . 1 1 81 81 LEU CA C 81 58.295 58.295 55.839 2.456 19643 3462 1 10 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.309 -0.687 19643 3463 1 10 . 1 1 82 82 LYS N N 82 121.600 121.600 117.588 4.012 19643 3464 1 10 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.163 -0.199 19643 3465 1 10 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.607 1.243 19643 3466 1 10 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.973 -0.111 19643 3467 1 10 . 1 1 83 83 GLU N N 83 115.395 115.395 118.247 -2.852 19643 3468 1 10 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.270 0.039 19643 3469 1 10 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.163 -1.037 19643 3470 1 10 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.805 -0.951 19643 3471 1 10 . 1 1 84 84 ALA N N 84 119.693 119.693 121.629 -1.936 19643 3472 1 10 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.192 -0.077 19643 3473 1 10 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.599 -0.203 19643 3474 1 10 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.671 1.855 19643 3475 1 10 . 1 1 85 85 GLY N N 85 104.439 104.439 105.328 -0.889 19643 3476 1 10 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.303 -1.537 19643 3477 1 10 . 1 1 86 86 SER N N 86 115.110 115.110 113.346 1.764 19643 3478 1 10 . 1 1 86 86 SER HA H 86 4.129 4.129 4.504 -0.375 19643 3479 1 10 . 1 1 86 86 SER CA C 86 61.282 61.282 58.448 2.834 19643 3480 1 10 . 1 1 86 86 SER CB C 86 63.430 63.430 64.231 -0.801 19643 3481 1 10 . 1 1 87 87 ILE N N 87 120.535 120.535 122.890 -2.355 19643 3482 1 10 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.750 -0.107 19643 3483 1 10 . 1 1 87 87 ILE CA C 87 59.954 59.954 58.998 0.956 19643 3484 1 10 . 1 1 87 87 ILE CB C 87 38.233 38.233 40.383 -2.150 19643 3485 1 10 . 1 1 88 88 VAL N N 88 127.851 127.851 123.088 4.763 19643 3486 1 10 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.634 -0.376 19643 3487 1 10 . 1 1 88 88 VAL CA C 88 61.734 61.734 59.984 1.750 19643 3488 1 10 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.374 -0.160 19643 3489 1 10 . 1 1 89 89 ARG N N 89 127.712 127.712 126.153 1.559 19643 3490 1 10 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.948 -0.157 19643 3491 1 10 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.602 0.174 19643 3492 1 10 . 1 1 89 89 ARG CB C 89 30.802 30.802 31.745 -0.944 19643 3493 1 10 . 1 1 90 90 LEU N N 90 127.483 127.483 121.184 6.299 19643 3494 1 10 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.083 0.048 19643 3495 1 10 . 1 1 90 90 LEU CA C 90 52.914 52.914 52.883 0.031 19643 3496 1 10 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.027 0.080 19643 3497 1 10 . 1 1 91 91 TYR N N 91 125.830 125.830 125.274 0.556 19643 3498 1 10 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.298 0.051 19643 3499 1 10 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.809 1.142 19643 3500 1 10 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.243 0.003 19643 3501 1 10 . 1 1 92 92 VAL N N 92 121.091 121.091 122.945 -1.854 19643 3502 1 10 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.963 0.511 19643 3503 1 10 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.837 -0.425 19643 3504 1 10 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.080 0.277 19643 3505 1 10 . 1 1 93 93 MET N N 93 118.712 118.712 119.607 -0.895 19643 3506 1 10 . 1 1 93 93 MET HA H 93 5.103 5.103 4.688 0.415 19643 3507 1 10 . 1 1 93 93 MET CA C 93 53.151 53.151 54.402 -1.251 19643 3508 1 10 . 1 1 93 93 MET CB C 93 36.981 36.981 34.115 2.865 19643 3509 1 10 . 1 1 94 94 ARG N N 94 122.359 122.359 123.284 -0.925 19643 3510 1 10 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.723 0.117 19643 3511 1 10 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.322 -0.317 19643 3512 1 10 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.157 -0.022 19643 3513 1 10 . 1 1 95 95 ARG N N 95 120.747 120.747 122.373 -1.626 19643 3514 1 10 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.276 0.340 19643 3515 1 10 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.400 0.148 19643 3516 1 10 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.074 -0.263 19643 3517 1 10 . 1 1 96 96 LYS N N 96 125.436 125.436 125.963 -0.527 19643 3518 1 10 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.253 0.111 19643 3519 1 10 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.712 -1.201 19643 3520 1 10 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.606 1.169 19643 3521 1 11 . 1 1 2 2 ALA N N 2 123.610 123.610 126.143 -2.533 19643 3522 1 11 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.800 -0.511 19643 3523 1 11 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.590 1.099 19643 3524 1 11 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.165 -0.792 19643 3525 1 11 . 1 1 3 3 MET N N 3 119.242 119.242 118.391 0.851 19643 3526 1 11 . 1 1 3 3 MET HA H 3 4.422 4.422 4.270 0.152 19643 3527 1 11 . 1 1 3 3 MET CA C 3 55.333 55.333 55.546 -0.213 19643 3528 1 11 . 1 1 3 3 MET CB C 3 32.744 32.744 32.918 -0.174 19643 3529 1 11 . 1 1 4 4 GLU N N 4 122.309 122.309 121.070 1.239 19643 3530 1 11 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.672 -0.372 19643 3531 1 11 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.644 0.762 19643 3532 1 11 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.629 -0.907 19643 3533 1 11 . 1 1 5 5 MET N N 5 120.131 120.131 118.790 1.341 19643 3534 1 11 . 1 1 5 5 MET HA H 5 4.911 4.911 4.545 0.366 19643 3535 1 11 . 1 1 5 5 MET CA C 5 53.780 53.780 55.475 -1.695 19643 3536 1 11 . 1 1 5 5 MET CB C 5 34.203 34.203 33.404 0.799 19643 3537 1 11 . 1 1 6 6 GLU N N 6 121.438 121.438 120.219 1.219 19643 3538 1 11 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.759 -0.254 19643 3539 1 11 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.217 -0.862 19643 3540 1 11 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.216 1.817 19643 3541 1 11 . 1 1 7 7 TYR N N 7 121.043 121.043 123.695 -2.652 19643 3542 1 11 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.074 0.302 19643 3543 1 11 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.122 -1.026 19643 3544 1 11 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.394 0.917 19643 3545 1 11 . 1 1 8 8 GLU N N 8 121.986 121.986 123.015 -1.029 19643 3546 1 11 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.793 -0.407 19643 3547 1 11 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.596 1.489 19643 3548 1 11 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.475 0.435 19643 3549 1 11 . 1 1 9 9 GLU N N 9 125.727 125.727 124.416 1.311 19643 3550 1 11 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.843 0.295 19643 3551 1 11 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.493 -0.688 19643 3552 1 11 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.249 0.863 19643 3553 1 11 . 1 1 10 10 ILE N N 10 130.210 130.210 127.654 2.556 19643 3554 1 11 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.479 -0.536 19643 3555 1 11 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.446 0.746 19643 3556 1 11 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.059 1.554 19643 3557 1 11 . 1 1 11 11 THR N N 11 124.067 124.067 119.003 5.064 19643 3558 1 11 . 1 1 11 11 THR HA H 11 5.212 5.212 4.803 0.409 19643 3559 1 11 . 1 1 11 11 THR CA C 11 61.750 61.750 61.366 0.384 19643 3560 1 11 . 1 1 11 11 THR CB C 11 69.466 69.466 69.616 -0.150 19643 3561 1 11 . 1 1 12 12 LEU N N 12 125.136 125.136 126.203 -1.067 19643 3562 1 11 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.784 -0.078 19643 3563 1 11 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.861 -1.359 19643 3564 1 11 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.416 0.912 19643 3565 1 11 . 1 1 13 13 GLU N N 13 121.986 121.986 120.764 1.222 19643 3566 1 11 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.968 -0.061 19643 3567 1 11 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.443 -1.178 19643 3568 1 11 . 1 1 13 13 GLU CB C 13 30.279 30.279 31.285 -1.006 19643 3569 1 11 . 1 1 14 14 ARG N N 14 125.922 125.922 126.634 -0.712 19643 3570 1 11 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.154 -0.611 19643 3571 1 11 . 1 1 14 14 ARG CA C 14 58.078 58.078 55.681 2.397 19643 3572 1 11 . 1 1 14 14 ARG CB C 14 31.572 31.572 29.428 2.144 19643 3573 1 11 . 1 1 15 15 GLY N N 15 113.035 113.035 115.201 -2.166 19643 3574 1 11 . 1 1 15 15 GLY CA C 15 44.108 44.108 45.248 -1.140 19643 3575 1 11 . 1 1 16 16 ASN N N 16 120.641 120.641 119.642 0.999 19643 3576 1 11 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.560 -0.158 19643 3577 1 11 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.649 1.231 19643 3578 1 11 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.787 -0.724 19643 3579 1 11 . 1 1 17 17 SER N N 17 111.943 111.943 113.970 -2.027 19643 3580 1 11 . 1 1 17 17 SER HA H 17 4.598 4.598 4.592 0.006 19643 3581 1 11 . 1 1 17 17 SER CA C 17 56.829 56.829 57.908 -1.079 19643 3582 1 11 . 1 1 17 17 SER CB C 17 63.185 63.185 64.183 -0.998 19643 3583 1 11 . 1 1 18 18 GLY N N 18 108.890 108.890 110.155 -1.265 19643 3584 1 11 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.807 -0.164 19643 3585 1 11 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.127 0.061 19643 3586 1 11 . 1 1 19 19 LEU CA C 19 56.420 56.420 55.224 1.196 19643 3587 1 11 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.477 0.691 19643 3588 1 11 . 1 1 20 20 GLY N N 20 106.101 106.101 110.547 -4.446 19643 3589 1 11 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.011 1.351 19643 3590 1 11 . 1 1 21 21 PHE N N 21 117.144 117.144 116.350 0.794 19643 3591 1 11 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.988 0.158 19643 3592 1 11 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.775 0.546 19643 3593 1 11 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.775 -0.059 19643 3594 1 11 . 1 1 22 22 SER N N 22 113.822 113.822 115.220 -1.398 19643 3595 1 11 . 1 1 22 22 SER HA H 22 5.765 5.765 4.706 1.059 19643 3596 1 11 . 1 1 22 22 SER CA C 22 56.474 56.474 57.934 -1.460 19643 3597 1 11 . 1 1 22 22 SER CB C 22 65.095 65.095 66.114 -1.019 19643 3598 1 11 . 1 1 23 23 ILE N N 23 114.674 114.674 120.346 -5.672 19643 3599 1 11 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.581 1.165 19643 3600 1 11 . 1 1 23 23 ILE CA C 23 58.284 58.284 58.821 -0.537 19643 3601 1 11 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.448 4.231 19643 3602 1 11 . 1 1 24 24 ALA N N 24 123.084 123.084 128.374 -5.290 19643 3603 1 11 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.596 0.445 19643 3604 1 11 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.877 -1.310 19643 3605 1 11 . 1 1 24 24 ALA CB C 24 23.764 23.764 19.991 3.773 19643 3606 1 11 . 1 1 25 25 GLY N N 25 106.991 106.991 108.996 -2.005 19643 3607 1 11 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.441 -0.537 19643 3608 1 11 . 1 1 26 26 GLY N N 26 108.474 108.474 106.137 2.337 19643 3609 1 11 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.379 -1.846 19643 3610 1 11 . 1 1 27 27 THR N N 27 113.603 113.603 112.405 1.198 19643 3611 1 11 . 1 1 27 27 THR HA H 27 3.844 3.844 4.441 -0.597 19643 3612 1 11 . 1 1 27 27 THR CA C 27 64.151 64.151 63.854 0.297 19643 3613 1 11 . 1 1 27 27 THR CB C 27 67.979 67.979 70.407 -2.428 19643 3614 1 11 . 1 1 28 28 ASP N N 28 116.979 116.979 119.744 -2.765 19643 3615 1 11 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.662 -0.141 19643 3616 1 11 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.605 -2.608 19643 3617 1 11 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.255 -2.057 19643 3618 1 11 . 1 1 29 29 ASN N N 29 119.889 119.889 120.634 -0.745 19643 3619 1 11 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.087 -0.210 19643 3620 1 11 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.060 1.726 19643 3621 1 11 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.709 1.579 19643 3622 1 11 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.730 -0.142 19643 3623 1 11 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.703 1.681 19643 3624 1 11 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.594 -0.869 19643 3625 1 11 . 1 1 31 31 HIS N N 31 122.889 122.889 119.906 2.983 19643 3626 1 11 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.697 0.009 19643 3627 1 11 . 1 1 31 31 HIS CA C 31 56.079 56.079 56.690 -0.611 19643 3628 1 11 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.598 -0.950 19643 3629 1 11 . 1 1 32 32 ILE N N 32 115.082 115.082 122.011 -6.929 19643 3630 1 11 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.216 -0.220 19643 3631 1 11 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.522 -2.457 19643 3632 1 11 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.956 1.277 19643 3633 1 11 . 1 1 33 33 GLY N N 33 114.196 114.196 116.085 -1.889 19643 3634 1 11 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.272 1.936 19643 3635 1 11 . 1 1 34 34 ASP N N 34 124.358 124.358 117.660 6.698 19643 3636 1 11 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.511 0.076 19643 3637 1 11 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.648 -3.031 19643 3638 1 11 . 1 1 34 34 ASP CB C 34 40.651 40.651 39.867 0.784 19643 3639 1 11 . 1 1 35 35 ASP N N 35 123.575 123.575 120.456 3.119 19643 3640 1 11 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.908 -0.131 19643 3641 1 11 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.701 -0.166 19643 3642 1 11 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.788 0.120 19643 3643 1 11 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.698 -0.204 19643 3644 1 11 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.091 0.229 19643 3645 1 11 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.560 0.385 19643 3646 1 11 . 1 1 37 37 SER N N 37 117.452 117.452 114.220 3.232 19643 3647 1 11 . 1 1 37 37 SER HA H 37 4.077 4.077 4.526 -0.449 19643 3648 1 11 . 1 1 37 37 SER CA C 37 60.109 60.109 58.698 1.411 19643 3649 1 11 . 1 1 37 37 SER CB C 37 63.043 63.043 64.276 -1.233 19643 3650 1 11 . 1 1 38 38 ILE N N 38 123.464 123.464 123.077 0.387 19643 3651 1 11 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.506 0.172 19643 3652 1 11 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.799 -1.308 19643 3653 1 11 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.435 -1.530 19643 3654 1 11 . 1 1 39 39 PHE N N 39 124.567 124.567 121.436 3.131 19643 3655 1 11 . 1 1 39 39 PHE HA H 39 5.342 5.342 5.011 0.331 19643 3656 1 11 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.200 1.373 19643 3657 1 11 . 1 1 39 39 PHE CB C 39 44.095 44.095 41.416 2.679 19643 3658 1 11 . 1 1 40 40 ILE N N 40 119.768 119.768 119.528 0.240 19643 3659 1 11 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.346 0.255 19643 3660 1 11 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.564 -0.268 19643 3661 1 11 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.389 -0.356 19643 3662 1 11 . 1 1 41 41 THR N N 41 118.591 118.591 116.192 2.399 19643 3663 1 11 . 1 1 41 41 THR HA H 41 4.530 4.530 4.504 0.026 19643 3664 1 11 . 1 1 41 41 THR CA C 41 62.101 62.101 62.205 -0.104 19643 3665 1 11 . 1 1 41 41 THR CB C 41 68.728 68.728 71.081 -2.353 19643 3666 1 11 . 1 1 42 42 LYS N N 42 121.511 121.511 123.635 -2.124 19643 3667 1 11 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.724 -0.451 19643 3668 1 11 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.385 1.180 19643 3669 1 11 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.402 1.674 19643 3670 1 11 . 1 1 43 43 ILE N N 43 126.187 126.187 124.799 1.388 19643 3671 1 11 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.440 -0.150 19643 3672 1 11 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.030 1.892 19643 3673 1 11 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.457 -1.274 19643 3674 1 11 . 1 1 44 44 ILE N N 44 128.532 128.532 129.374 -0.842 19643 3675 1 11 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.370 -0.216 19643 3676 1 11 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.236 -0.217 19643 3677 1 11 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.031 0.185 19643 3678 1 11 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.398 -0.217 19643 3679 1 11 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.407 -0.294 19643 3680 1 11 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.920 -0.535 19643 3681 1 11 . 1 1 46 46 GLY N N 46 111.733 111.733 107.132 4.601 19643 3682 1 11 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.843 0.520 19643 3683 1 11 . 1 1 47 47 GLY N N 47 106.686 106.686 108.648 -1.962 19643 3684 1 11 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.750 0.901 19643 3685 1 11 . 1 1 48 48 ALA N N 48 120.883 120.883 122.198 -1.315 19643 3686 1 11 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.280 -0.252 19643 3687 1 11 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.364 1.219 19643 3688 1 11 . 1 1 48 48 ALA CB C 48 17.954 17.954 18.850 -0.896 19643 3689 1 11 . 1 1 49 49 ALA N N 49 119.457 119.457 120.366 -0.909 19643 3690 1 11 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.115 0.063 19643 3691 1 11 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.057 0.751 19643 3692 1 11 . 1 1 49 49 ALA CB C 49 18.874 18.874 17.958 0.916 19643 3693 1 11 . 1 1 50 50 ALA N N 50 127.017 127.017 119.375 7.642 19643 3694 1 11 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.382 -0.469 19643 3695 1 11 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.544 1.361 19643 3696 1 11 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.719 0.069 19643 3697 1 11 . 1 1 51 51 GLN N N 51 117.131 117.131 117.980 -0.849 19643 3698 1 11 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.325 -0.424 19643 3699 1 11 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.984 0.554 19643 3700 1 11 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.444 -0.746 19643 3701 1 11 . 1 1 52 52 ASP N N 52 118.091 118.091 118.352 -0.261 19643 3702 1 11 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.691 -0.330 19643 3703 1 11 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.447 1.453 19643 3704 1 11 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.841 1.870 19643 3705 1 11 . 1 1 53 53 GLY N N 53 102.763 102.763 107.499 -4.736 19643 3706 1 11 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.223 1.142 19643 3707 1 11 . 1 1 54 54 ARG N N 54 119.861 119.861 118.021 1.840 19643 3708 1 11 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.982 0.191 19643 3709 1 11 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.001 2.374 19643 3710 1 11 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.993 5.313 19643 3711 1 11 . 1 1 55 55 LEU N N 55 120.459 120.459 121.139 -0.680 19643 3712 1 11 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.642 -0.874 19643 3713 1 11 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.041 1.198 19643 3714 1 11 . 1 1 55 55 LEU CB C 55 43.340 43.340 43.922 -0.582 19643 3715 1 11 . 1 1 56 56 ARG N N 56 122.213 122.213 125.240 -3.027 19643 3716 1 11 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.653 -0.213 19643 3717 1 11 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.804 -1.595 19643 3718 1 11 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.049 0.781 19643 3719 1 11 . 1 1 57 57 VAL N N 57 120.461 120.461 119.850 0.611 19643 3720 1 11 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.730 -0.578 19643 3721 1 11 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.801 -0.277 19643 3722 1 11 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.624 -0.463 19643 3723 1 11 . 1 1 58 58 ASN N N 58 120.800 120.800 116.116 4.684 19643 3724 1 11 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.644 -0.354 19643 3725 1 11 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.647 2.701 19643 3726 1 11 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.453 -1.460 19643 3727 1 11 . 1 1 59 59 ASP N N 59 122.628 122.628 119.852 2.776 19643 3728 1 11 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.660 -0.107 19643 3729 1 11 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.889 0.522 19643 3730 1 11 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.962 -1.262 19643 3731 1 11 . 1 1 60 60 SER N N 60 115.152 115.152 112.110 3.042 19643 3732 1 11 . 1 1 60 60 SER HA H 60 5.391 5.391 4.196 1.195 19643 3733 1 11 . 1 1 60 60 SER CA C 60 55.105 55.105 59.452 -4.347 19643 3734 1 11 . 1 1 60 60 SER CB C 60 65.259 65.259 63.338 1.921 19643 3735 1 11 . 1 1 61 61 ILE N N 61 123.216 123.216 121.910 1.306 19643 3736 1 11 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.171 -0.263 19643 3737 1 11 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.642 -0.178 19643 3738 1 11 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.236 0.842 19643 3739 1 11 . 1 1 62 62 LEU N N 62 126.711 126.711 123.167 3.544 19643 3740 1 11 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.671 -0.471 19643 3741 1 11 . 1 1 62 62 LEU CA C 62 56.647 56.647 55.889 0.758 19643 3742 1 11 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.462 -0.332 19643 3743 1 11 . 1 1 63 63 PHE N N 63 111.486 111.486 117.707 -6.221 19643 3744 1 11 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.318 0.125 19643 3745 1 11 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.007 -0.882 19643 3746 1 11 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.313 1.922 19643 3747 1 11 . 1 1 64 64 VAL N N 64 120.758 120.758 122.496 -1.738 19643 3748 1 11 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.605 -0.296 19643 3749 1 11 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.906 -0.342 19643 3750 1 11 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.372 -1.336 19643 3751 1 11 . 1 1 65 65 ASN N N 65 126.150 126.150 126.434 -0.284 19643 3752 1 11 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.326 -0.101 19643 3753 1 11 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.060 0.985 19643 3754 1 11 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.369 -2.121 19643 3755 1 11 . 1 1 67 67 VAL N N 67 124.346 124.346 115.749 8.597 19643 3756 1 11 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.463 -0.646 19643 3757 1 11 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.749 2.693 19643 3758 1 11 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.827 -1.782 19643 3759 1 11 . 1 1 68 68 ASP N N 68 127.980 127.980 124.101 3.879 19643 3760 1 11 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.462 -0.491 19643 3761 1 11 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.134 -1.049 19643 3762 1 11 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.234 0.934 19643 3763 1 11 . 1 1 69 69 VAL N N 69 120.432 120.432 120.275 0.157 19643 3764 1 11 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.192 0.445 19643 3765 1 11 . 1 1 69 69 VAL CA C 69 58.985 58.985 63.327 -4.342 19643 3766 1 11 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.509 -2.616 19643 3767 1 11 . 1 1 70 70 ARG N N 70 122.630 122.630 119.207 3.423 19643 3768 1 11 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.906 0.226 19643 3769 1 11 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.480 1.288 19643 3770 1 11 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.703 0.868 19643 3771 1 11 . 1 1 71 71 GLU N N 71 120.164 120.164 118.960 1.204 19643 3772 1 11 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.510 -0.217 19643 3773 1 11 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.744 -1.090 19643 3774 1 11 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.892 -0.562 19643 3775 1 11 . 1 1 72 72 VAL N N 72 118.241 118.241 118.927 -0.686 19643 3776 1 11 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.550 0.254 19643 3777 1 11 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.693 -1.345 19643 3778 1 11 . 1 1 72 72 VAL CB C 72 35.987 35.987 34.950 1.037 19643 3779 1 11 . 1 1 73 73 THR N N 73 109.907 109.907 109.429 0.478 19643 3780 1 11 . 1 1 73 73 THR HA H 73 4.311 4.311 4.646 -0.335 19643 3781 1 11 . 1 1 73 73 THR CA C 73 61.446 61.446 60.482 0.964 19643 3782 1 11 . 1 1 73 73 THR CB C 73 70.324 70.324 70.270 0.054 19643 3783 1 11 . 1 1 74 74 HIS N N 74 122.235 122.235 118.936 3.299 19643 3784 1 11 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.091 -0.209 19643 3785 1 11 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.434 2.235 19643 3786 1 11 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.892 -0.369 19643 3787 1 11 . 1 1 75 75 SER N N 75 111.076 111.076 114.463 -3.387 19643 3788 1 11 . 1 1 75 75 SER HA H 75 3.962 3.962 3.993 -0.031 19643 3789 1 11 . 1 1 75 75 SER CA C 75 61.889 61.889 60.854 1.035 19643 3790 1 11 . 1 1 75 75 SER CB C 75 62.708 62.708 62.501 0.207 19643 3791 1 11 . 1 1 76 76 ALA N N 76 125.241 125.241 123.280 1.961 19643 3792 1 11 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.203 -0.139 19643 3793 1 11 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.729 1.267 19643 3794 1 11 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.426 -0.064 19643 3795 1 11 . 1 1 77 77 ALA N N 77 123.063 123.063 120.038 3.025 19643 3796 1 11 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.390 -0.590 19643 3797 1 11 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.835 1.649 19643 3798 1 11 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.302 -1.319 19643 3799 1 11 . 1 1 78 78 VAL N N 78 117.348 117.348 118.521 -1.173 19643 3800 1 11 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.784 -0.668 19643 3801 1 11 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.166 1.129 19643 3802 1 11 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.951 -0.255 19643 3803 1 11 . 1 1 79 79 GLU N N 79 119.021 119.021 119.827 -0.806 19643 3804 1 11 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.980 -0.108 19643 3805 1 11 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.394 -0.154 19643 3806 1 11 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.254 -0.165 19643 3807 1 11 . 1 1 80 80 ALA N N 80 120.115 120.115 120.718 -0.603 19643 3808 1 11 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.246 -0.278 19643 3809 1 11 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.301 0.412 19643 3810 1 11 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.549 -1.493 19643 3811 1 11 . 1 1 81 81 LEU N N 81 116.561 116.561 116.730 -0.169 19643 3812 1 11 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.365 -0.564 19643 3813 1 11 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.412 1.883 19643 3814 1 11 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.245 -0.623 19643 3815 1 11 . 1 1 82 82 LYS N N 82 121.600 121.600 117.405 4.195 19643 3816 1 11 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.217 -0.253 19643 3817 1 11 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.028 1.822 19643 3818 1 11 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.654 0.207 19643 3819 1 11 . 1 1 83 83 GLU N N 83 115.395 115.395 118.277 -2.882 19643 3820 1 11 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.269 0.040 19643 3821 1 11 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.305 -1.179 19643 3822 1 11 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.782 -0.928 19643 3823 1 11 . 1 1 84 84 ALA N N 84 119.693 119.693 121.473 -1.780 19643 3824 1 11 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.231 -0.116 19643 3825 1 11 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.458 -0.062 19643 3826 1 11 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.781 1.745 19643 3827 1 11 . 1 1 85 85 GLY N N 85 104.439 104.439 105.083 -0.644 19643 3828 1 11 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.324 -1.558 19643 3829 1 11 . 1 1 86 86 SER N N 86 115.110 115.110 113.940 1.170 19643 3830 1 11 . 1 1 86 86 SER HA H 86 4.129 4.129 4.563 -0.434 19643 3831 1 11 . 1 1 86 86 SER CA C 86 61.282 61.282 58.624 2.658 19643 3832 1 11 . 1 1 86 86 SER CB C 86 63.430 63.430 64.033 -0.603 19643 3833 1 11 . 1 1 87 87 ILE N N 87 120.535 120.535 123.064 -2.529 19643 3834 1 11 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.784 -0.141 19643 3835 1 11 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.374 0.580 19643 3836 1 11 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.670 -0.438 19643 3837 1 11 . 1 1 88 88 VAL N N 88 127.851 127.851 127.493 0.358 19643 3838 1 11 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.424 -0.166 19643 3839 1 11 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.823 0.911 19643 3840 1 11 . 1 1 88 88 VAL CB C 88 34.214 34.214 35.773 -1.559 19643 3841 1 11 . 1 1 89 89 ARG N N 89 127.712 127.712 127.963 -0.251 19643 3842 1 11 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.994 -0.203 19643 3843 1 11 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.529 0.247 19643 3844 1 11 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.764 0.038 19643 3845 1 11 . 1 1 90 90 LEU N N 90 127.483 127.483 122.363 5.120 19643 3846 1 11 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.973 0.158 19643 3847 1 11 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.038 -0.124 19643 3848 1 11 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.791 1.316 19643 3849 1 11 . 1 1 91 91 TYR N N 91 125.830 125.830 125.805 0.025 19643 3850 1 11 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.257 0.092 19643 3851 1 11 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.909 1.042 19643 3852 1 11 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.305 -0.059 19643 3853 1 11 . 1 1 92 92 VAL N N 92 121.091 121.091 122.223 -1.132 19643 3854 1 11 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.952 0.522 19643 3855 1 11 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.875 -0.463 19643 3856 1 11 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.169 0.188 19643 3857 1 11 . 1 1 93 93 MET N N 93 118.712 118.712 119.492 -0.780 19643 3858 1 11 . 1 1 93 93 MET HA H 93 5.103 5.103 4.673 0.430 19643 3859 1 11 . 1 1 93 93 MET CA C 93 53.151 53.151 54.391 -1.240 19643 3860 1 11 . 1 1 93 93 MET CB C 93 36.981 36.981 34.493 2.488 19643 3861 1 11 . 1 1 94 94 ARG N N 94 122.359 122.359 123.925 -1.566 19643 3862 1 11 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.678 0.162 19643 3863 1 11 . 1 1 94 94 ARG CA C 94 54.005 54.005 53.964 0.041 19643 3864 1 11 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.078 0.057 19643 3865 1 11 . 1 1 95 95 ARG N N 95 120.747 120.747 123.672 -2.925 19643 3866 1 11 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.307 0.309 19643 3867 1 11 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.820 -0.272 19643 3868 1 11 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.081 -0.270 19643 3869 1 11 . 1 1 96 96 LYS N N 96 125.436 125.436 124.355 1.081 19643 3870 1 11 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.438 -0.074 19643 3871 1 11 . 1 1 96 96 LYS CA C 96 54.511 54.511 54.955 -0.444 19643 3872 1 11 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.568 1.207 19643 3873 1 12 . 1 1 2 2 ALA N N 2 123.610 123.610 124.216 -0.606 19643 3874 1 12 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.729 -0.440 19643 3875 1 12 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.841 0.849 19643 3876 1 12 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.909 -0.536 19643 3877 1 12 . 1 1 3 3 MET N N 3 119.242 119.242 122.935 -3.693 19643 3878 1 12 . 1 1 3 3 MET HA H 3 4.422 4.422 4.652 -0.230 19643 3879 1 12 . 1 1 3 3 MET CA C 3 55.333 55.333 55.014 0.319 19643 3880 1 12 . 1 1 3 3 MET CB C 3 32.744 32.744 33.602 -0.859 19643 3881 1 12 . 1 1 4 4 GLU N N 4 122.309 122.309 121.586 0.723 19643 3882 1 12 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.633 -0.333 19643 3883 1 12 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.697 0.709 19643 3884 1 12 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.848 -1.126 19643 3885 1 12 . 1 1 5 5 MET N N 5 120.131 120.131 117.586 2.545 19643 3886 1 12 . 1 1 5 5 MET HA H 5 4.911 4.911 4.658 0.253 19643 3887 1 12 . 1 1 5 5 MET CA C 5 53.780 53.780 55.016 -1.236 19643 3888 1 12 . 1 1 5 5 MET CB C 5 34.203 34.203 33.597 0.606 19643 3889 1 12 . 1 1 6 6 GLU N N 6 121.438 121.438 120.196 1.242 19643 3890 1 12 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.675 -0.170 19643 3891 1 12 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.229 -0.874 19643 3892 1 12 . 1 1 6 6 GLU CB C 6 33.034 33.034 30.197 2.837 19643 3893 1 12 . 1 1 7 7 TYR N N 7 121.043 121.043 124.993 -3.950 19643 3894 1 12 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.921 0.455 19643 3895 1 12 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.449 -1.353 19643 3896 1 12 . 1 1 7 7 TYR CB C 7 41.311 41.311 39.985 1.326 19643 3897 1 12 . 1 1 8 8 GLU N N 8 121.986 121.986 123.780 -1.794 19643 3898 1 12 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.813 -0.427 19643 3899 1 12 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.779 1.306 19643 3900 1 12 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.254 0.656 19643 3901 1 12 . 1 1 9 9 GLU N N 9 125.727 125.727 125.356 0.371 19643 3902 1 12 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.890 0.248 19643 3903 1 12 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.551 -0.746 19643 3904 1 12 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.177 0.935 19643 3905 1 12 . 1 1 10 10 ILE N N 10 130.210 130.210 127.560 2.650 19643 3906 1 12 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.503 -0.560 19643 3907 1 12 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.552 0.640 19643 3908 1 12 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.706 1.907 19643 3909 1 12 . 1 1 11 11 THR N N 11 124.067 124.067 121.595 2.472 19643 3910 1 12 . 1 1 11 11 THR HA H 11 5.212 5.212 4.664 0.548 19643 3911 1 12 . 1 1 11 11 THR CA C 11 61.750 61.750 61.473 0.277 19643 3912 1 12 . 1 1 11 11 THR CB C 11 69.466 69.466 69.993 -0.527 19643 3913 1 12 . 1 1 12 12 LEU N N 12 125.136 125.136 128.314 -3.178 19643 3914 1 12 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.787 -0.081 19643 3915 1 12 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.617 -1.115 19643 3916 1 12 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.844 0.484 19643 3917 1 12 . 1 1 13 13 GLU N N 13 121.986 121.986 121.432 0.554 19643 3918 1 12 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.745 0.162 19643 3919 1 12 . 1 1 13 13 GLU CA C 13 54.265 54.265 54.945 -0.680 19643 3920 1 12 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.311 -0.032 19643 3921 1 12 . 1 1 14 14 ARG N N 14 125.922 125.922 127.259 -1.337 19643 3922 1 12 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.260 -0.717 19643 3923 1 12 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.653 1.425 19643 3924 1 12 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.143 1.429 19643 3925 1 12 . 1 1 15 15 GLY N N 15 113.035 113.035 112.099 0.936 19643 3926 1 12 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.366 -0.258 19643 3927 1 12 . 1 1 16 16 ASN N N 16 120.641 120.641 117.295 3.346 19643 3928 1 12 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.648 -0.246 19643 3929 1 12 . 1 1 16 16 ASN CA C 16 55.880 55.880 53.915 1.965 19643 3930 1 12 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.712 -0.649 19643 3931 1 12 . 1 1 17 17 SER N N 17 111.943 111.943 113.608 -1.665 19643 3932 1 12 . 1 1 17 17 SER HA H 17 4.598 4.598 4.566 0.032 19643 3933 1 12 . 1 1 17 17 SER CA C 17 56.829 56.829 58.998 -2.169 19643 3934 1 12 . 1 1 17 17 SER CB C 17 63.185 63.185 64.731 -1.546 19643 3935 1 12 . 1 1 18 18 GLY N N 18 108.890 108.890 110.959 -2.069 19643 3936 1 12 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.687 -0.044 19643 3937 1 12 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.920 0.268 19643 3938 1 12 . 1 1 19 19 LEU CA C 19 56.420 56.420 55.856 0.564 19643 3939 1 12 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.998 1.171 19643 3940 1 12 . 1 1 20 20 GLY N N 20 106.101 106.101 104.901 1.200 19643 3941 1 12 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.843 1.519 19643 3942 1 12 . 1 1 21 21 PHE N N 21 117.144 117.144 115.739 1.405 19643 3943 1 12 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.088 0.058 19643 3944 1 12 . 1 1 21 21 PHE CA C 21 56.321 56.321 56.149 0.172 19643 3945 1 12 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.959 -0.243 19643 3946 1 12 . 1 1 22 22 SER N N 22 113.822 113.822 115.298 -1.476 19643 3947 1 12 . 1 1 22 22 SER HA H 22 5.765 5.765 4.788 0.977 19643 3948 1 12 . 1 1 22 22 SER CA C 22 56.474 56.474 57.122 -0.648 19643 3949 1 12 . 1 1 22 22 SER CB C 22 65.095 65.095 66.186 -1.091 19643 3950 1 12 . 1 1 23 23 ILE N N 23 114.674 114.674 119.752 -5.078 19643 3951 1 12 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.690 1.056 19643 3952 1 12 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.385 -1.101 19643 3953 1 12 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.449 3.230 19643 3954 1 12 . 1 1 24 24 ALA N N 24 123.084 123.084 128.773 -5.689 19643 3955 1 12 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.783 0.258 19643 3956 1 12 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.864 -1.297 19643 3957 1 12 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.806 2.958 19643 3958 1 12 . 1 1 25 25 GLY N N 25 106.991 106.991 108.082 -1.091 19643 3959 1 12 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.813 0.091 19643 3960 1 12 . 1 1 26 26 GLY N N 26 108.474 108.474 105.152 3.322 19643 3961 1 12 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.464 -1.931 19643 3962 1 12 . 1 1 27 27 THR N N 27 113.603 113.603 113.360 0.243 19643 3963 1 12 . 1 1 27 27 THR HA H 27 3.844 3.844 4.309 -0.465 19643 3964 1 12 . 1 1 27 27 THR CA C 27 64.151 64.151 63.816 0.335 19643 3965 1 12 . 1 1 27 27 THR CB C 27 67.979 67.979 69.932 -1.953 19643 3966 1 12 . 1 1 28 28 ASP N N 28 116.979 116.979 119.582 -2.603 19643 3967 1 12 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.747 -0.226 19643 3968 1 12 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.477 -2.480 19643 3969 1 12 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.409 -2.211 19643 3970 1 12 . 1 1 29 29 ASN N N 29 119.889 119.889 120.179 -0.290 19643 3971 1 12 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.151 -0.274 19643 3972 1 12 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.534 1.252 19643 3973 1 12 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.435 1.853 19643 3974 1 12 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.503 0.085 19643 3975 1 12 . 1 1 30 30 PRO CA C 30 64.383 64.383 63.309 1.074 19643 3976 1 12 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.930 -1.205 19643 3977 1 12 . 1 1 31 31 HIS N N 31 122.889 122.889 118.082 4.807 19643 3978 1 12 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.675 0.031 19643 3979 1 12 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.209 -1.130 19643 3980 1 12 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.108 -0.460 19643 3981 1 12 . 1 1 32 32 ILE N N 32 115.082 115.082 119.826 -4.744 19643 3982 1 12 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.575 -0.579 19643 3983 1 12 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.147 -3.082 19643 3984 1 12 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.515 0.718 19643 3985 1 12 . 1 1 33 33 GLY N N 33 114.196 114.196 109.076 5.120 19643 3986 1 12 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.263 1.945 19643 3987 1 12 . 1 1 34 34 ASP N N 34 124.358 124.358 120.691 3.667 19643 3988 1 12 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.815 -0.228 19643 3989 1 12 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.881 -1.265 19643 3990 1 12 . 1 1 34 34 ASP CB C 34 40.651 40.651 42.080 -1.429 19643 3991 1 12 . 1 1 35 35 ASP N N 35 123.575 123.575 121.537 2.038 19643 3992 1 12 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.972 -0.195 19643 3993 1 12 . 1 1 35 35 ASP CA C 35 51.535 51.535 50.846 0.689 19643 3994 1 12 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.458 -0.550 19643 3995 1 12 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.744 -0.250 19643 3996 1 12 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.153 0.167 19643 3997 1 12 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.619 0.326 19643 3998 1 12 . 1 1 37 37 SER N N 37 117.452 117.452 114.211 3.241 19643 3999 1 12 . 1 1 37 37 SER HA H 37 4.077 4.077 4.464 -0.387 19643 4000 1 12 . 1 1 37 37 SER CA C 37 60.109 60.109 57.887 2.222 19643 4001 1 12 . 1 1 37 37 SER CB C 37 63.043 63.043 64.665 -1.623 19643 4002 1 12 . 1 1 38 38 ILE N N 38 123.464 123.464 123.212 0.252 19643 4003 1 12 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.499 0.179 19643 4004 1 12 . 1 1 38 38 ILE CA C 38 57.491 57.491 60.285 -2.794 19643 4005 1 12 . 1 1 38 38 ILE CB C 38 34.905 34.905 37.572 -2.667 19643 4006 1 12 . 1 1 39 39 PHE N N 39 124.567 124.567 123.585 0.982 19643 4007 1 12 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.847 0.495 19643 4008 1 12 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.543 1.030 19643 4009 1 12 . 1 1 39 39 PHE CB C 39 44.095 44.095 42.816 1.279 19643 4010 1 12 . 1 1 40 40 ILE N N 40 119.768 119.768 119.497 0.271 19643 4011 1 12 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.450 0.151 19643 4012 1 12 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.466 -0.170 19643 4013 1 12 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.267 -0.234 19643 4014 1 12 . 1 1 41 41 THR N N 41 118.591 118.591 117.129 1.462 19643 4015 1 12 . 1 1 41 41 THR HA H 41 4.530 4.530 4.520 0.010 19643 4016 1 12 . 1 1 41 41 THR CA C 41 62.101 62.101 61.890 0.211 19643 4017 1 12 . 1 1 41 41 THR CB C 41 68.728 68.728 71.040 -2.312 19643 4018 1 12 . 1 1 42 42 LYS N N 42 121.511 121.511 123.417 -1.906 19643 4019 1 12 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.686 -0.413 19643 4020 1 12 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.544 1.020 19643 4021 1 12 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.816 1.260 19643 4022 1 12 . 1 1 43 43 ILE N N 43 126.187 126.187 124.242 1.945 19643 4023 1 12 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.441 -0.151 19643 4024 1 12 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.242 1.680 19643 4025 1 12 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.606 -1.423 19643 4026 1 12 . 1 1 44 44 ILE N N 44 128.532 128.532 129.221 -0.689 19643 4027 1 12 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.442 -0.288 19643 4028 1 12 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.800 0.219 19643 4029 1 12 . 1 1 44 44 ILE CB C 44 38.216 38.216 38.001 0.215 19643 4030 1 12 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.381 -0.200 19643 4031 1 12 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.517 -0.404 19643 4032 1 12 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.869 -0.484 19643 4033 1 12 . 1 1 46 46 GLY N N 46 111.733 111.733 106.539 5.194 19643 4034 1 12 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.391 0.972 19643 4035 1 12 . 1 1 47 47 GLY N N 47 106.686 106.686 108.272 -1.586 19643 4036 1 12 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.702 0.949 19643 4037 1 12 . 1 1 48 48 ALA N N 48 120.883 120.883 122.012 -1.129 19643 4038 1 12 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.259 -0.231 19643 4039 1 12 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.273 1.310 19643 4040 1 12 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.448 -1.494 19643 4041 1 12 . 1 1 49 49 ALA N N 49 119.457 119.457 120.007 -0.550 19643 4042 1 12 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.167 0.011 19643 4043 1 12 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.688 0.120 19643 4044 1 12 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.336 0.538 19643 4045 1 12 . 1 1 50 50 ALA N N 50 127.017 127.017 119.386 7.631 19643 4046 1 12 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.381 -0.468 19643 4047 1 12 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.731 1.173 19643 4048 1 12 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.776 0.013 19643 4049 1 12 . 1 1 51 51 GLN N N 51 117.131 117.131 117.755 -0.624 19643 4050 1 12 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.276 -0.375 19643 4051 1 12 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.727 0.811 19643 4052 1 12 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.325 -0.627 19643 4053 1 12 . 1 1 52 52 ASP N N 52 118.091 118.091 118.044 0.047 19643 4054 1 12 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.739 -0.378 19643 4055 1 12 . 1 1 52 52 ASP CA C 52 56.900 56.900 54.971 1.929 19643 4056 1 12 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.336 2.375 19643 4057 1 12 . 1 1 53 53 GLY N N 53 102.763 102.763 107.819 -5.056 19643 4058 1 12 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.073 1.292 19643 4059 1 12 . 1 1 54 54 ARG N N 54 119.861 119.861 116.124 3.737 19643 4060 1 12 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.984 0.189 19643 4061 1 12 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.010 2.365 19643 4062 1 12 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.061 5.245 19643 4063 1 12 . 1 1 55 55 LEU N N 55 120.459 120.459 121.615 -1.156 19643 4064 1 12 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.400 -0.632 19643 4065 1 12 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.517 0.721 19643 4066 1 12 . 1 1 55 55 LEU CB C 55 43.340 43.340 42.995 0.345 19643 4067 1 12 . 1 1 56 56 ARG N N 56 122.213 122.213 125.674 -3.461 19643 4068 1 12 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.559 -0.119 19643 4069 1 12 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.936 -1.727 19643 4070 1 12 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.037 0.793 19643 4071 1 12 . 1 1 57 57 VAL N N 57 120.461 120.461 121.901 -1.440 19643 4072 1 12 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.745 -0.593 19643 4073 1 12 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.249 0.275 19643 4074 1 12 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.244 -1.083 19643 4075 1 12 . 1 1 58 58 ASN N N 58 120.800 120.800 113.806 6.994 19643 4076 1 12 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.605 -0.315 19643 4077 1 12 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.362 2.986 19643 4078 1 12 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.047 -1.054 19643 4079 1 12 . 1 1 59 59 ASP N N 59 122.628 122.628 119.070 3.558 19643 4080 1 12 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.648 -0.095 19643 4081 1 12 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.858 0.554 19643 4082 1 12 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.032 -1.333 19643 4083 1 12 . 1 1 60 60 SER N N 60 115.152 115.152 112.240 2.912 19643 4084 1 12 . 1 1 60 60 SER HA H 60 5.391 5.391 4.219 1.172 19643 4085 1 12 . 1 1 60 60 SER CA C 60 55.105 55.105 58.680 -3.575 19643 4086 1 12 . 1 1 60 60 SER CB C 60 65.259 65.259 63.912 1.347 19643 4087 1 12 . 1 1 61 61 ILE N N 61 123.216 123.216 121.736 1.480 19643 4088 1 12 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.158 -0.250 19643 4089 1 12 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.773 -0.309 19643 4090 1 12 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.371 0.707 19643 4091 1 12 . 1 1 62 62 LEU N N 62 126.711 126.711 122.941 3.770 19643 4092 1 12 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.693 -0.493 19643 4093 1 12 . 1 1 62 62 LEU CA C 62 56.647 56.647 55.701 0.946 19643 4094 1 12 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.468 -0.338 19643 4095 1 12 . 1 1 63 63 PHE N N 63 111.486 111.486 117.372 -5.886 19643 4096 1 12 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.253 0.190 19643 4097 1 12 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.694 -0.569 19643 4098 1 12 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.646 1.589 19643 4099 1 12 . 1 1 64 64 VAL N N 64 120.758 120.758 117.625 3.133 19643 4100 1 12 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.888 -0.579 19643 4101 1 12 . 1 1 64 64 VAL CA C 64 60.564 60.564 59.993 0.571 19643 4102 1 12 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.638 -0.602 19643 4103 1 12 . 1 1 65 65 ASN N N 65 126.150 126.150 125.075 1.075 19643 4104 1 12 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.347 -0.122 19643 4105 1 12 . 1 1 65 65 ASN CA C 65 56.045 56.045 56.907 -0.863 19643 4106 1 12 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.676 -1.428 19643 4107 1 12 . 1 1 67 67 VAL N N 67 124.346 124.346 118.805 5.541 19643 4108 1 12 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.576 -0.759 19643 4109 1 12 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.145 2.297 19643 4110 1 12 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.487 -1.442 19643 4111 1 12 . 1 1 68 68 ASP N N 68 127.980 127.980 125.925 2.055 19643 4112 1 12 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.498 -0.527 19643 4113 1 12 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.677 -1.592 19643 4114 1 12 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.531 0.638 19643 4115 1 12 . 1 1 69 69 VAL N N 69 120.432 120.432 123.658 -3.226 19643 4116 1 12 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.045 0.592 19643 4117 1 12 . 1 1 69 69 VAL CA C 69 58.985 58.985 61.547 -2.562 19643 4118 1 12 . 1 1 69 69 VAL CB C 69 29.893 29.893 31.691 -1.798 19643 4119 1 12 . 1 1 70 70 ARG N N 70 122.630 122.630 118.817 3.813 19643 4120 1 12 . 1 1 70 70 ARG HA H 70 4.132 4.132 4.037 0.095 19643 4121 1 12 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.905 1.863 19643 4122 1 12 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.365 0.206 19643 4123 1 12 . 1 1 71 71 GLU N N 71 120.164 120.164 118.229 1.935 19643 4124 1 12 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.463 -0.170 19643 4125 1 12 . 1 1 71 71 GLU CA C 71 54.654 54.654 56.135 -1.481 19643 4126 1 12 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.522 -0.192 19643 4127 1 12 . 1 1 72 72 VAL N N 72 118.241 118.241 118.422 -0.181 19643 4128 1 12 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.582 0.222 19643 4129 1 12 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.784 -1.436 19643 4130 1 12 . 1 1 72 72 VAL CB C 72 35.987 35.987 34.910 1.077 19643 4131 1 12 . 1 1 73 73 THR N N 73 109.907 109.907 109.522 0.385 19643 4132 1 12 . 1 1 73 73 THR HA H 73 4.311 4.311 4.658 -0.347 19643 4133 1 12 . 1 1 73 73 THR CA C 73 61.446 61.446 60.463 0.983 19643 4134 1 12 . 1 1 73 73 THR CB C 73 70.324 70.324 70.788 -0.464 19643 4135 1 12 . 1 1 74 74 HIS N N 74 122.235 122.235 119.586 2.649 19643 4136 1 12 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.147 -0.265 19643 4137 1 12 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.566 2.103 19643 4138 1 12 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.779 -0.256 19643 4139 1 12 . 1 1 75 75 SER N N 75 111.076 111.076 116.019 -4.943 19643 4140 1 12 . 1 1 75 75 SER HA H 75 3.962 3.962 4.058 -0.096 19643 4141 1 12 . 1 1 75 75 SER CA C 75 61.889 61.889 60.681 1.208 19643 4142 1 12 . 1 1 75 75 SER CB C 75 62.708 62.708 62.531 0.177 19643 4143 1 12 . 1 1 76 76 ALA N N 76 125.241 125.241 122.987 2.254 19643 4144 1 12 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.222 -0.158 19643 4145 1 12 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.745 1.251 19643 4146 1 12 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.393 -0.031 19643 4147 1 12 . 1 1 77 77 ALA N N 77 123.063 123.063 120.078 2.985 19643 4148 1 12 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.396 -0.596 19643 4149 1 12 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.691 1.793 19643 4150 1 12 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.277 -1.295 19643 4151 1 12 . 1 1 78 78 VAL N N 78 117.348 117.348 118.377 -1.029 19643 4152 1 12 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.711 -0.595 19643 4153 1 12 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.058 1.237 19643 4154 1 12 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.965 -0.269 19643 4155 1 12 . 1 1 79 79 GLU N N 79 119.021 119.021 119.692 -0.671 19643 4156 1 12 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.989 -0.117 19643 4157 1 12 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.492 -0.252 19643 4158 1 12 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.292 -0.203 19643 4159 1 12 . 1 1 80 80 ALA N N 80 120.115 120.115 120.190 -0.075 19643 4160 1 12 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.364 -0.396 19643 4161 1 12 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.459 0.254 19643 4162 1 12 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.636 -1.580 19643 4163 1 12 . 1 1 81 81 LEU N N 81 116.561 116.561 116.721 -0.160 19643 4164 1 12 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.178 -0.377 19643 4165 1 12 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.431 1.864 19643 4166 1 12 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.120 -0.498 19643 4167 1 12 . 1 1 82 82 LYS N N 82 121.600 121.600 117.417 4.183 19643 4168 1 12 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.126 -0.162 19643 4169 1 12 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.525 1.325 19643 4170 1 12 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.794 0.068 19643 4171 1 12 . 1 1 83 83 GLU N N 83 115.395 115.395 118.667 -3.272 19643 4172 1 12 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.142 0.167 19643 4173 1 12 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.544 -2.418 19643 4174 1 12 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.145 -0.291 19643 4175 1 12 . 1 1 84 84 ALA N N 84 119.693 119.693 121.615 -1.922 19643 4176 1 12 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.215 -0.100 19643 4177 1 12 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.394 0.002 19643 4178 1 12 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.713 1.813 19643 4179 1 12 . 1 1 85 85 GLY N N 85 104.439 104.439 105.342 -0.903 19643 4180 1 12 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.468 -2.702 19643 4181 1 12 . 1 1 86 86 SER N N 86 115.110 115.110 114.605 0.505 19643 4182 1 12 . 1 1 86 86 SER HA H 86 4.129 4.129 4.644 -0.515 19643 4183 1 12 . 1 1 86 86 SER CA C 86 61.282 61.282 59.299 1.983 19643 4184 1 12 . 1 1 86 86 SER CB C 86 63.430 63.430 64.718 -1.288 19643 4185 1 12 . 1 1 87 87 ILE N N 87 120.535 120.535 124.096 -3.561 19643 4186 1 12 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.827 -0.184 19643 4187 1 12 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.434 0.520 19643 4188 1 12 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.822 -0.589 19643 4189 1 12 . 1 1 88 88 VAL N N 88 127.851 127.851 124.436 3.415 19643 4190 1 12 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.626 -0.368 19643 4191 1 12 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.010 1.724 19643 4192 1 12 . 1 1 88 88 VAL CB C 88 34.214 34.214 33.850 0.364 19643 4193 1 12 . 1 1 89 89 ARG N N 89 127.712 127.712 127.239 0.473 19643 4194 1 12 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.955 -0.164 19643 4195 1 12 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.515 0.261 19643 4196 1 12 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.733 0.070 19643 4197 1 12 . 1 1 90 90 LEU N N 90 127.483 127.483 122.173 5.310 19643 4198 1 12 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.099 0.032 19643 4199 1 12 . 1 1 90 90 LEU CA C 90 52.914 52.914 52.857 0.057 19643 4200 1 12 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.400 0.707 19643 4201 1 12 . 1 1 91 91 TYR N N 91 125.830 125.830 124.705 1.125 19643 4202 1 12 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.229 0.120 19643 4203 1 12 . 1 1 91 91 TYR CA C 91 56.951 56.951 56.103 0.848 19643 4204 1 12 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.124 0.122 19643 4205 1 12 . 1 1 92 92 VAL N N 92 121.091 121.091 120.971 0.120 19643 4206 1 12 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.030 0.444 19643 4207 1 12 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.809 -0.397 19643 4208 1 12 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.239 0.118 19643 4209 1 12 . 1 1 93 93 MET N N 93 118.712 118.712 119.668 -0.956 19643 4210 1 12 . 1 1 93 93 MET HA H 93 5.103 5.103 4.676 0.427 19643 4211 1 12 . 1 1 93 93 MET CA C 93 53.151 53.151 54.694 -1.543 19643 4212 1 12 . 1 1 93 93 MET CB C 93 36.981 36.981 34.675 2.306 19643 4213 1 12 . 1 1 94 94 ARG N N 94 122.359 122.359 123.190 -0.831 19643 4214 1 12 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.688 0.152 19643 4215 1 12 . 1 1 94 94 ARG CA C 94 54.005 54.005 53.989 0.016 19643 4216 1 12 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.096 0.039 19643 4217 1 12 . 1 1 95 95 ARG N N 95 120.747 120.747 123.390 -2.643 19643 4218 1 12 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.230 0.386 19643 4219 1 12 . 1 1 95 95 ARG CA C 95 55.548 55.548 56.187 -0.639 19643 4220 1 12 . 1 1 95 95 ARG CB C 95 30.811 30.811 30.966 -0.155 19643 4221 1 12 . 1 1 96 96 LYS N N 96 125.436 125.436 124.308 1.128 19643 4222 1 12 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.309 0.055 19643 4223 1 12 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.167 -0.656 19643 4224 1 12 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.743 1.032 19643 4225 1 13 . 1 1 2 2 ALA N N 2 123.610 123.610 123.719 -0.109 19643 4226 1 13 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.184 0.105 19643 4227 1 13 . 1 1 2 2 ALA CA C 2 52.690 52.690 52.357 0.333 19643 4228 1 13 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.080 0.293 19643 4229 1 13 . 1 1 3 3 MET N N 3 119.242 119.242 121.043 -1.801 19643 4230 1 13 . 1 1 3 3 MET HA H 3 4.422 4.422 4.712 -0.290 19643 4231 1 13 . 1 1 3 3 MET CA C 3 55.333 55.333 54.892 0.442 19643 4232 1 13 . 1 1 3 3 MET CB C 3 32.744 32.744 33.999 -1.255 19643 4233 1 13 . 1 1 4 4 GLU N N 4 122.309 122.309 123.006 -0.697 19643 4234 1 13 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.656 -0.356 19643 4235 1 13 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.976 0.430 19643 4236 1 13 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.084 -0.362 19643 4237 1 13 . 1 1 5 5 MET N N 5 120.131 120.131 118.740 1.391 19643 4238 1 13 . 1 1 5 5 MET HA H 5 4.911 4.911 4.601 0.310 19643 4239 1 13 . 1 1 5 5 MET CA C 5 53.780 53.780 54.783 -1.004 19643 4240 1 13 . 1 1 5 5 MET CB C 5 34.203 34.203 34.047 0.156 19643 4241 1 13 . 1 1 6 6 GLU N N 6 121.438 121.438 119.875 1.563 19643 4242 1 13 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.781 -0.276 19643 4243 1 13 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.285 -0.930 19643 4244 1 13 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.268 1.766 19643 4245 1 13 . 1 1 7 7 TYR N N 7 121.043 121.043 124.352 -3.309 19643 4246 1 13 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.810 0.566 19643 4247 1 13 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.716 -1.620 19643 4248 1 13 . 1 1 7 7 TYR CB C 7 41.311 41.311 39.848 1.463 19643 4249 1 13 . 1 1 8 8 GLU N N 8 121.986 121.986 123.418 -1.432 19643 4250 1 13 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.799 -0.413 19643 4251 1 13 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.836 1.249 19643 4252 1 13 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.222 0.688 19643 4253 1 13 . 1 1 9 9 GLU N N 9 125.727 125.727 125.302 0.425 19643 4254 1 13 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.045 0.093 19643 4255 1 13 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.528 -0.723 19643 4256 1 13 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.201 0.911 19643 4257 1 13 . 1 1 10 10 ILE N N 10 130.210 130.210 127.764 2.446 19643 4258 1 13 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.487 -0.544 19643 4259 1 13 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.467 0.725 19643 4260 1 13 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.647 1.966 19643 4261 1 13 . 1 1 11 11 THR N N 11 124.067 124.067 120.257 3.810 19643 4262 1 13 . 1 1 11 11 THR HA H 11 5.212 5.212 4.824 0.388 19643 4263 1 13 . 1 1 11 11 THR CA C 11 61.750 61.750 60.999 0.751 19643 4264 1 13 . 1 1 11 11 THR CB C 11 69.466 69.466 69.482 -0.016 19643 4265 1 13 . 1 1 12 12 LEU N N 12 125.136 125.136 126.011 -0.875 19643 4266 1 13 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.805 -0.099 19643 4267 1 13 . 1 1 12 12 LEU CA C 12 52.502 52.502 52.978 -0.476 19643 4268 1 13 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.497 0.831 19643 4269 1 13 . 1 1 13 13 GLU N N 13 121.986 121.986 122.114 -0.128 19643 4270 1 13 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.616 0.291 19643 4271 1 13 . 1 1 13 13 GLU CA C 13 54.265 54.265 54.620 -0.355 19643 4272 1 13 . 1 1 13 13 GLU CB C 13 30.279 30.279 29.971 0.308 19643 4273 1 13 . 1 1 14 14 ARG N N 14 125.922 125.922 125.510 0.412 19643 4274 1 13 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.213 -0.670 19643 4275 1 13 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.475 1.603 19643 4276 1 13 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.171 1.401 19643 4277 1 13 . 1 1 15 15 GLY N N 15 113.035 113.035 113.936 -0.901 19643 4278 1 13 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.501 -0.393 19643 4279 1 13 . 1 1 16 16 ASN N N 16 120.641 120.641 119.887 0.754 19643 4280 1 13 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.675 -0.273 19643 4281 1 13 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.681 1.200 19643 4282 1 13 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.904 -0.841 19643 4283 1 13 . 1 1 17 17 SER N N 17 111.943 111.943 114.018 -2.075 19643 4284 1 13 . 1 1 17 17 SER HA H 17 4.598 4.598 4.533 0.065 19643 4285 1 13 . 1 1 17 17 SER CA C 17 56.829 56.829 59.274 -2.445 19643 4286 1 13 . 1 1 17 17 SER CB C 17 63.185 63.185 64.383 -1.198 19643 4287 1 13 . 1 1 18 18 GLY N N 18 108.890 108.890 110.073 -1.183 19643 4288 1 13 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.513 0.130 19643 4289 1 13 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.883 0.305 19643 4290 1 13 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.215 -0.795 19643 4291 1 13 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.850 1.319 19643 4292 1 13 . 1 1 20 20 GLY N N 20 106.101 106.101 105.582 0.519 19643 4293 1 13 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.873 1.489 19643 4294 1 13 . 1 1 21 21 PHE N N 21 117.144 117.144 116.149 0.995 19643 4295 1 13 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.051 0.095 19643 4296 1 13 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.600 0.721 19643 4297 1 13 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.487 0.229 19643 4298 1 13 . 1 1 22 22 SER N N 22 113.822 113.822 115.629 -1.807 19643 4299 1 13 . 1 1 22 22 SER HA H 22 5.765 5.765 4.605 1.160 19643 4300 1 13 . 1 1 22 22 SER CA C 22 56.474 56.474 57.231 -0.757 19643 4301 1 13 . 1 1 22 22 SER CB C 22 65.095 65.095 65.835 -0.740 19643 4302 1 13 . 1 1 23 23 ILE N N 23 114.674 114.674 119.708 -5.034 19643 4303 1 13 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.653 1.093 19643 4304 1 13 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.523 -1.239 19643 4305 1 13 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.956 3.723 19643 4306 1 13 . 1 1 24 24 ALA N N 24 123.084 123.084 128.316 -5.232 19643 4307 1 13 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.938 0.103 19643 4308 1 13 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.684 -1.117 19643 4309 1 13 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.877 2.888 19643 4310 1 13 . 1 1 25 25 GLY N N 25 106.991 106.991 108.978 -1.987 19643 4311 1 13 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.488 -0.584 19643 4312 1 13 . 1 1 26 26 GLY N N 26 108.474 108.474 104.872 3.602 19643 4313 1 13 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.633 -2.100 19643 4314 1 13 . 1 1 27 27 THR N N 27 113.603 113.603 112.268 1.335 19643 4315 1 13 . 1 1 27 27 THR HA H 27 3.844 3.844 4.401 -0.557 19643 4316 1 13 . 1 1 27 27 THR CA C 27 64.151 64.151 63.910 0.241 19643 4317 1 13 . 1 1 27 27 THR CB C 27 67.979 67.979 69.402 -1.423 19643 4318 1 13 . 1 1 28 28 ASP N N 28 116.979 116.979 120.830 -3.851 19643 4319 1 13 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.704 -0.183 19643 4320 1 13 . 1 1 28 28 ASP CA C 28 51.997 51.997 55.225 -3.228 19643 4321 1 13 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.103 -1.905 19643 4322 1 13 . 1 1 29 29 ASN N N 29 119.889 119.889 120.015 -0.126 19643 4323 1 13 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.135 -0.258 19643 4324 1 13 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.560 1.226 19643 4325 1 13 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.265 2.023 19643 4326 1 13 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.601 -0.013 19643 4327 1 13 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.905 1.478 19643 4328 1 13 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.518 -0.793 19643 4329 1 13 . 1 1 31 31 HIS N N 31 122.889 122.889 121.921 0.968 19643 4330 1 13 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.647 0.059 19643 4331 1 13 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.722 -1.643 19643 4332 1 13 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.696 -0.048 19643 4333 1 13 . 1 1 32 32 ILE N N 32 115.082 115.082 119.131 -4.049 19643 4334 1 13 . 1 1 32 32 ILE HA H 32 3.996 3.996 3.942 0.054 19643 4335 1 13 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.451 -2.386 19643 4336 1 13 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.491 1.742 19643 4337 1 13 . 1 1 33 33 GLY N N 33 114.196 114.196 108.471 5.725 19643 4338 1 13 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.186 2.022 19643 4339 1 13 . 1 1 34 34 ASP N N 34 124.358 124.358 119.931 4.427 19643 4340 1 13 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.670 -0.083 19643 4341 1 13 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.815 -1.199 19643 4342 1 13 . 1 1 34 34 ASP CB C 34 40.651 40.651 41.809 -1.158 19643 4343 1 13 . 1 1 35 35 ASP N N 35 123.575 123.575 122.401 1.174 19643 4344 1 13 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.843 -0.066 19643 4345 1 13 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.482 -0.947 19643 4346 1 13 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.659 0.249 19643 4347 1 13 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.689 -0.195 19643 4348 1 13 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.102 0.218 19643 4349 1 13 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.197 0.748 19643 4350 1 13 . 1 1 37 37 SER N N 37 117.452 117.452 115.543 1.909 19643 4351 1 13 . 1 1 37 37 SER HA H 37 4.077 4.077 4.347 -0.270 19643 4352 1 13 . 1 1 37 37 SER CA C 37 60.109 60.109 57.631 2.478 19643 4353 1 13 . 1 1 37 37 SER CB C 37 63.043 63.043 63.466 -0.423 19643 4354 1 13 . 1 1 38 38 ILE N N 38 123.464 123.464 122.658 0.806 19643 4355 1 13 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.558 0.120 19643 4356 1 13 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.117 -1.626 19643 4357 1 13 . 1 1 38 38 ILE CB C 38 34.905 34.905 37.205 -2.300 19643 4358 1 13 . 1 1 39 39 PHE N N 39 124.567 124.567 123.858 0.709 19643 4359 1 13 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.848 0.494 19643 4360 1 13 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.742 0.831 19643 4361 1 13 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.246 0.849 19643 4362 1 13 . 1 1 40 40 ILE N N 40 119.768 119.768 119.306 0.462 19643 4363 1 13 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.368 0.233 19643 4364 1 13 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.567 -0.271 19643 4365 1 13 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.092 -0.059 19643 4366 1 13 . 1 1 41 41 THR N N 41 118.591 118.591 115.006 3.585 19643 4367 1 13 . 1 1 41 41 THR HA H 41 4.530 4.530 4.494 0.036 19643 4368 1 13 . 1 1 41 41 THR CA C 41 62.101 62.101 61.952 0.149 19643 4369 1 13 . 1 1 41 41 THR CB C 41 68.728 68.728 70.863 -2.135 19643 4370 1 13 . 1 1 42 42 LYS N N 42 121.511 121.511 123.301 -1.790 19643 4371 1 13 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.636 -0.363 19643 4372 1 13 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.278 1.288 19643 4373 1 13 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.136 1.940 19643 4374 1 13 . 1 1 43 43 ILE N N 43 126.187 126.187 126.015 0.172 19643 4375 1 13 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.391 -0.101 19643 4376 1 13 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.254 1.668 19643 4377 1 13 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.410 -1.227 19643 4378 1 13 . 1 1 44 44 ILE N N 44 128.532 128.532 129.656 -1.124 19643 4379 1 13 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.402 -0.248 19643 4380 1 13 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.997 0.022 19643 4381 1 13 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.924 0.292 19643 4382 1 13 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.375 -0.194 19643 4383 1 13 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.571 -0.458 19643 4384 1 13 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.849 -0.464 19643 4385 1 13 . 1 1 46 46 GLY N N 46 111.733 111.733 106.624 5.109 19643 4386 1 13 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.769 0.594 19643 4387 1 13 . 1 1 47 47 GLY N N 47 106.686 106.686 109.052 -2.366 19643 4388 1 13 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.956 0.695 19643 4389 1 13 . 1 1 48 48 ALA N N 48 120.883 120.883 122.249 -1.366 19643 4390 1 13 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.290 -0.262 19643 4391 1 13 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.170 1.413 19643 4392 1 13 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.395 -1.442 19643 4393 1 13 . 1 1 49 49 ALA N N 49 119.457 119.457 120.004 -0.547 19643 4394 1 13 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.178 0.000 19643 4395 1 13 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.532 0.276 19643 4396 1 13 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.377 0.497 19643 4397 1 13 . 1 1 50 50 ALA N N 50 127.017 127.017 119.381 7.636 19643 4398 1 13 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.360 -0.447 19643 4399 1 13 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.620 1.284 19643 4400 1 13 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.879 -0.091 19643 4401 1 13 . 1 1 51 51 GLN N N 51 117.131 117.131 117.769 -0.638 19643 4402 1 13 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.263 -0.362 19643 4403 1 13 . 1 1 51 51 GLN CA C 51 58.538 58.538 58.087 0.451 19643 4404 1 13 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.273 -0.575 19643 4405 1 13 . 1 1 52 52 ASP N N 52 118.091 118.091 118.198 -0.107 19643 4406 1 13 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.723 -0.362 19643 4407 1 13 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.286 1.614 19643 4408 1 13 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.792 1.919 19643 4409 1 13 . 1 1 53 53 GLY N N 53 102.763 102.763 107.197 -4.434 19643 4410 1 13 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.187 1.178 19643 4411 1 13 . 1 1 54 54 ARG N N 54 119.861 119.861 116.202 3.659 19643 4412 1 13 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.949 0.224 19643 4413 1 13 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.292 2.083 19643 4414 1 13 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.532 4.774 19643 4415 1 13 . 1 1 55 55 LEU N N 55 120.459 120.459 121.220 -0.761 19643 4416 1 13 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.387 -0.619 19643 4417 1 13 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.606 0.631 19643 4418 1 13 . 1 1 55 55 LEU CB C 55 43.340 43.340 42.808 0.532 19643 4419 1 13 . 1 1 56 56 ARG N N 56 122.213 122.213 125.825 -3.612 19643 4420 1 13 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.573 -0.133 19643 4421 1 13 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.872 -1.663 19643 4422 1 13 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.100 0.730 19643 4423 1 13 . 1 1 57 57 VAL N N 57 120.461 120.461 120.014 0.447 19643 4424 1 13 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.791 -0.639 19643 4425 1 13 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.444 0.080 19643 4426 1 13 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.444 -0.283 19643 4427 1 13 . 1 1 58 58 ASN N N 58 120.800 120.800 114.818 5.982 19643 4428 1 13 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.642 -0.352 19643 4429 1 13 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.908 2.440 19643 4430 1 13 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.314 -1.321 19643 4431 1 13 . 1 1 59 59 ASP N N 59 122.628 122.628 119.828 2.800 19643 4432 1 13 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.705 -0.152 19643 4433 1 13 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.921 0.490 19643 4434 1 13 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.019 -1.319 19643 4435 1 13 . 1 1 60 60 SER N N 60 115.152 115.152 112.380 2.772 19643 4436 1 13 . 1 1 60 60 SER HA H 60 5.391 5.391 4.182 1.209 19643 4437 1 13 . 1 1 60 60 SER CA C 60 55.105 55.105 58.275 -3.170 19643 4438 1 13 . 1 1 60 60 SER CB C 60 65.259 65.259 63.726 1.533 19643 4439 1 13 . 1 1 61 61 ILE N N 61 123.216 123.216 125.508 -2.292 19643 4440 1 13 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.243 -0.335 19643 4441 1 13 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.663 -0.199 19643 4442 1 13 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.227 0.851 19643 4443 1 13 . 1 1 62 62 LEU N N 62 126.711 126.711 123.617 3.094 19643 4444 1 13 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.610 -0.410 19643 4445 1 13 . 1 1 62 62 LEU CA C 62 56.647 56.647 55.934 0.713 19643 4446 1 13 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.352 -0.222 19643 4447 1 13 . 1 1 63 63 PHE N N 63 111.486 111.486 117.613 -6.127 19643 4448 1 13 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.229 0.214 19643 4449 1 13 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.722 -0.597 19643 4450 1 13 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.442 1.793 19643 4451 1 13 . 1 1 64 64 VAL N N 64 120.758 120.758 119.314 1.444 19643 4452 1 13 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.646 -0.337 19643 4453 1 13 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.234 0.330 19643 4454 1 13 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.179 -0.144 19643 4455 1 13 . 1 1 65 65 ASN N N 65 126.150 126.150 126.115 0.035 19643 4456 1 13 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.319 -0.094 19643 4457 1 13 . 1 1 65 65 ASN CA C 65 56.045 56.045 54.922 1.123 19643 4458 1 13 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.357 -2.109 19643 4459 1 13 . 1 1 67 67 VAL N N 67 124.346 124.346 118.496 5.850 19643 4460 1 13 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.401 -0.584 19643 4461 1 13 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.969 1.473 19643 4462 1 13 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.269 -1.224 19643 4463 1 13 . 1 1 68 68 ASP N N 68 127.980 127.980 123.959 4.021 19643 4464 1 13 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.253 -0.282 19643 4465 1 13 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.656 -0.571 19643 4466 1 13 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.115 1.054 19643 4467 1 13 . 1 1 69 69 VAL N N 69 120.432 120.432 121.898 -1.466 19643 4468 1 13 . 1 1 69 69 VAL HA H 69 4.637 4.637 3.949 0.688 19643 4469 1 13 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.301 -3.316 19643 4470 1 13 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.461 -2.568 19643 4471 1 13 . 1 1 70 70 ARG N N 70 122.630 122.630 119.469 3.161 19643 4472 1 13 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.922 0.210 19643 4473 1 13 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.866 1.902 19643 4474 1 13 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.099 0.472 19643 4475 1 13 . 1 1 71 71 GLU N N 71 120.164 120.164 118.500 1.664 19643 4476 1 13 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.407 -0.114 19643 4477 1 13 . 1 1 71 71 GLU CA C 71 54.654 54.654 56.084 -1.430 19643 4478 1 13 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.160 0.171 19643 4479 1 13 . 1 1 72 72 VAL N N 72 118.241 118.241 118.416 -0.175 19643 4480 1 13 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.627 0.177 19643 4481 1 13 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.617 -1.269 19643 4482 1 13 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.480 0.507 19643 4483 1 13 . 1 1 73 73 THR N N 73 109.907 109.907 109.761 0.146 19643 4484 1 13 . 1 1 73 73 THR HA H 73 4.311 4.311 4.612 -0.301 19643 4485 1 13 . 1 1 73 73 THR CA C 73 61.446 61.446 60.537 0.909 19643 4486 1 13 . 1 1 73 73 THR CB C 73 70.324 70.324 70.331 -0.007 19643 4487 1 13 . 1 1 74 74 HIS N N 74 122.235 122.235 122.619 -0.384 19643 4488 1 13 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.221 -0.339 19643 4489 1 13 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.600 1.069 19643 4490 1 13 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.900 -1.377 19643 4491 1 13 . 1 1 75 75 SER N N 75 111.076 111.076 114.467 -3.391 19643 4492 1 13 . 1 1 75 75 SER HA H 75 3.962 3.962 4.247 -0.285 19643 4493 1 13 . 1 1 75 75 SER CA C 75 61.889 61.889 60.900 0.989 19643 4494 1 13 . 1 1 75 75 SER CB C 75 62.708 62.708 63.020 -0.312 19643 4495 1 13 . 1 1 76 76 ALA N N 76 125.241 125.241 121.814 3.427 19643 4496 1 13 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.383 -0.319 19643 4497 1 13 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.895 1.101 19643 4498 1 13 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.314 0.048 19643 4499 1 13 . 1 1 77 77 ALA N N 77 123.063 123.063 120.652 2.411 19643 4500 1 13 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.326 -0.526 19643 4501 1 13 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.616 1.868 19643 4502 1 13 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.438 -1.456 19643 4503 1 13 . 1 1 78 78 VAL N N 78 117.348 117.348 118.305 -0.957 19643 4504 1 13 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.639 -0.523 19643 4505 1 13 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.940 1.355 19643 4506 1 13 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.825 -0.129 19643 4507 1 13 . 1 1 79 79 GLU N N 79 119.021 119.021 119.693 -0.672 19643 4508 1 13 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.823 0.049 19643 4509 1 13 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.483 -0.243 19643 4510 1 13 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.331 -0.242 19643 4511 1 13 . 1 1 80 80 ALA N N 80 120.115 120.115 119.720 0.395 19643 4512 1 13 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.229 -0.261 19643 4513 1 13 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.330 0.383 19643 4514 1 13 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.556 -1.500 19643 4515 1 13 . 1 1 81 81 LEU N N 81 116.561 116.561 117.065 -0.504 19643 4516 1 13 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.313 -0.512 19643 4517 1 13 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.830 1.466 19643 4518 1 13 . 1 1 81 81 LEU CB C 81 41.622 41.622 41.857 -0.235 19643 4519 1 13 . 1 1 82 82 LYS N N 82 121.600 121.600 117.546 4.054 19643 4520 1 13 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.207 -0.243 19643 4521 1 13 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.465 1.385 19643 4522 1 13 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.120 -0.258 19643 4523 1 13 . 1 1 83 83 GLU N N 83 115.395 115.395 118.340 -2.945 19643 4524 1 13 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.121 0.188 19643 4525 1 13 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.536 -2.410 19643 4526 1 13 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.309 -0.455 19643 4527 1 13 . 1 1 84 84 ALA N N 84 119.693 119.693 121.511 -1.818 19643 4528 1 13 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.231 -0.116 19643 4529 1 13 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.280 0.116 19643 4530 1 13 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.580 1.946 19643 4531 1 13 . 1 1 85 85 GLY N N 85 104.439 104.439 105.073 -0.634 19643 4532 1 13 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.693 -2.927 19643 4533 1 13 . 1 1 86 86 SER N N 86 115.110 115.110 115.213 -0.103 19643 4534 1 13 . 1 1 86 86 SER HA H 86 4.129 4.129 4.712 -0.583 19643 4535 1 13 . 1 1 86 86 SER CA C 86 61.282 61.282 59.204 2.078 19643 4536 1 13 . 1 1 86 86 SER CB C 86 63.430 63.430 64.806 -1.376 19643 4537 1 13 . 1 1 87 87 ILE N N 87 120.535 120.535 123.772 -3.237 19643 4538 1 13 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.772 -0.129 19643 4539 1 13 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.099 0.855 19643 4540 1 13 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.755 -1.522 19643 4541 1 13 . 1 1 88 88 VAL N N 88 127.851 127.851 123.452 4.399 19643 4542 1 13 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.626 -0.368 19643 4543 1 13 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.527 1.207 19643 4544 1 13 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.256 -0.042 19643 4545 1 13 . 1 1 89 89 ARG N N 89 127.712 127.712 126.038 1.674 19643 4546 1 13 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.970 -0.179 19643 4547 1 13 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.480 0.296 19643 4548 1 13 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.046 0.756 19643 4549 1 13 . 1 1 90 90 LEU N N 90 127.483 127.483 122.385 5.098 19643 4550 1 13 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.987 0.144 19643 4551 1 13 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.835 -0.921 19643 4552 1 13 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.896 0.211 19643 4553 1 13 . 1 1 91 91 TYR N N 91 125.830 125.830 124.687 1.143 19643 4554 1 13 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.262 0.087 19643 4555 1 13 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.981 0.970 19643 4556 1 13 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.515 -0.269 19643 4557 1 13 . 1 1 92 92 VAL N N 92 121.091 121.091 120.994 0.097 19643 4558 1 13 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.082 0.392 19643 4559 1 13 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.702 -0.290 19643 4560 1 13 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.239 0.117 19643 4561 1 13 . 1 1 93 93 MET N N 93 118.712 118.712 119.861 -1.149 19643 4562 1 13 . 1 1 93 93 MET HA H 93 5.103 5.103 4.633 0.470 19643 4563 1 13 . 1 1 93 93 MET CA C 93 53.151 53.151 54.414 -1.263 19643 4564 1 13 . 1 1 93 93 MET CB C 93 36.981 36.981 33.898 3.083 19643 4565 1 13 . 1 1 94 94 ARG N N 94 122.359 122.359 124.922 -2.563 19643 4566 1 13 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.673 0.167 19643 4567 1 13 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.348 -0.343 19643 4568 1 13 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.224 -0.089 19643 4569 1 13 . 1 1 95 95 ARG N N 95 120.747 120.747 123.242 -2.495 19643 4570 1 13 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.368 0.248 19643 4571 1 13 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.505 0.043 19643 4572 1 13 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.584 -0.773 19643 4573 1 13 . 1 1 96 96 LYS N N 96 125.436 125.436 125.550 -0.114 19643 4574 1 13 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.384 -0.020 19643 4575 1 13 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.906 -1.395 19643 4576 1 13 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.970 0.805 19643 4577 1 14 . 1 1 2 2 ALA N N 2 123.610 123.610 124.375 -0.765 19643 4578 1 14 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.734 -0.445 19643 4579 1 14 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.931 0.759 19643 4580 1 14 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.798 -0.425 19643 4581 1 14 . 1 1 3 3 MET N N 3 119.242 119.242 122.304 -3.062 19643 4582 1 14 . 1 1 3 3 MET HA H 3 4.422 4.422 4.707 -0.285 19643 4583 1 14 . 1 1 3 3 MET CA C 3 55.333 55.333 55.308 0.025 19643 4584 1 14 . 1 1 3 3 MET CB C 3 32.744 32.744 33.678 -0.934 19643 4585 1 14 . 1 1 4 4 GLU N N 4 122.309 122.309 125.419 -3.110 19643 4586 1 14 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.740 -0.440 19643 4587 1 14 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.195 1.211 19643 4588 1 14 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.667 -0.945 19643 4589 1 14 . 1 1 5 5 MET N N 5 120.131 120.131 119.208 0.923 19643 4590 1 14 . 1 1 5 5 MET HA H 5 4.911 4.911 4.725 0.186 19643 4591 1 14 . 1 1 5 5 MET CA C 5 53.780 53.780 55.040 -1.260 19643 4592 1 14 . 1 1 5 5 MET CB C 5 34.203 34.203 33.418 0.785 19643 4593 1 14 . 1 1 6 6 GLU N N 6 121.438 121.438 121.172 0.266 19643 4594 1 14 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.764 -0.259 19643 4595 1 14 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.176 -0.821 19643 4596 1 14 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.470 1.564 19643 4597 1 14 . 1 1 7 7 TYR N N 7 121.043 121.043 124.130 -3.087 19643 4598 1 14 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.894 0.482 19643 4599 1 14 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.504 -1.408 19643 4600 1 14 . 1 1 7 7 TYR CB C 7 41.311 41.311 39.789 1.522 19643 4601 1 14 . 1 1 8 8 GLU N N 8 121.986 121.986 124.011 -2.025 19643 4602 1 14 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.797 -0.411 19643 4603 1 14 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.855 1.230 19643 4604 1 14 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.049 0.861 19643 4605 1 14 . 1 1 9 9 GLU N N 9 125.727 125.727 125.583 0.144 19643 4606 1 14 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.899 0.239 19643 4607 1 14 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.482 -0.677 19643 4608 1 14 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.214 0.898 19643 4609 1 14 . 1 1 10 10 ILE N N 10 130.210 130.210 128.031 2.179 19643 4610 1 14 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.489 -0.546 19643 4611 1 14 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.636 0.556 19643 4612 1 14 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.230 1.383 19643 4613 1 14 . 1 1 11 11 THR N N 11 124.067 124.067 122.608 1.459 19643 4614 1 14 . 1 1 11 11 THR HA H 11 5.212 5.212 4.622 0.590 19643 4615 1 14 . 1 1 11 11 THR CA C 11 61.750 61.750 61.811 -0.061 19643 4616 1 14 . 1 1 11 11 THR CB C 11 69.466 69.466 69.492 -0.026 19643 4617 1 14 . 1 1 12 12 LEU N N 12 125.136 125.136 126.685 -1.549 19643 4618 1 14 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.778 -0.072 19643 4619 1 14 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.480 -0.978 19643 4620 1 14 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.595 0.733 19643 4621 1 14 . 1 1 13 13 GLU N N 13 121.986 121.986 121.466 0.520 19643 4622 1 14 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.784 0.123 19643 4623 1 14 . 1 1 13 13 GLU CA C 13 54.265 54.265 54.634 -0.369 19643 4624 1 14 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.768 -0.489 19643 4625 1 14 . 1 1 14 14 ARG N N 14 125.922 125.922 126.769 -0.847 19643 4626 1 14 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.102 -0.559 19643 4627 1 14 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.869 1.209 19643 4628 1 14 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.363 1.209 19643 4629 1 14 . 1 1 15 15 GLY N N 15 113.035 113.035 113.681 -0.646 19643 4630 1 14 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.348 -0.240 19643 4631 1 14 . 1 1 16 16 ASN N N 16 120.641 120.641 118.059 2.582 19643 4632 1 14 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.533 -0.131 19643 4633 1 14 . 1 1 16 16 ASN CA C 16 55.880 55.880 55.504 0.376 19643 4634 1 14 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.646 -0.583 19643 4635 1 14 . 1 1 17 17 SER N N 17 111.943 111.943 113.365 -1.422 19643 4636 1 14 . 1 1 17 17 SER HA H 17 4.598 4.598 4.655 -0.057 19643 4637 1 14 . 1 1 17 17 SER CA C 17 56.829 56.829 58.353 -1.524 19643 4638 1 14 . 1 1 17 17 SER CB C 17 63.185 63.185 64.179 -0.994 19643 4639 1 14 . 1 1 18 18 GLY N N 18 108.890 108.890 110.669 -1.779 19643 4640 1 14 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.561 0.082 19643 4641 1 14 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.954 0.234 19643 4642 1 14 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.148 -0.728 19643 4643 1 14 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.618 1.551 19643 4644 1 14 . 1 1 20 20 GLY N N 20 106.101 106.101 106.642 -0.541 19643 4645 1 14 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.029 1.333 19643 4646 1 14 . 1 1 21 21 PHE N N 21 117.144 117.144 116.737 0.407 19643 4647 1 14 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.081 0.065 19643 4648 1 14 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.523 0.798 19643 4649 1 14 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.466 0.250 19643 4650 1 14 . 1 1 22 22 SER N N 22 113.822 113.822 115.250 -1.428 19643 4651 1 14 . 1 1 22 22 SER HA H 22 5.765 5.765 4.558 1.207 19643 4652 1 14 . 1 1 22 22 SER CA C 22 56.474 56.474 57.561 -1.087 19643 4653 1 14 . 1 1 22 22 SER CB C 22 65.095 65.095 65.974 -0.879 19643 4654 1 14 . 1 1 23 23 ILE N N 23 114.674 114.674 120.186 -5.512 19643 4655 1 14 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.607 1.139 19643 4656 1 14 . 1 1 23 23 ILE CA C 23 58.284 58.284 58.947 -0.663 19643 4657 1 14 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.691 2.988 19643 4658 1 14 . 1 1 24 24 ALA N N 24 123.084 123.084 128.359 -5.275 19643 4659 1 14 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.901 0.140 19643 4660 1 14 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.855 -1.288 19643 4661 1 14 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.792 2.972 19643 4662 1 14 . 1 1 25 25 GLY N N 25 106.991 106.991 109.197 -2.206 19643 4663 1 14 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.179 -0.275 19643 4664 1 14 . 1 1 26 26 GLY N N 26 108.474 108.474 105.435 3.039 19643 4665 1 14 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.538 -2.005 19643 4666 1 14 . 1 1 27 27 THR N N 27 113.603 113.603 112.059 1.544 19643 4667 1 14 . 1 1 27 27 THR HA H 27 3.844 3.844 4.415 -0.571 19643 4668 1 14 . 1 1 27 27 THR CA C 27 64.151 64.151 62.971 1.180 19643 4669 1 14 . 1 1 27 27 THR CB C 27 67.979 67.979 69.523 -1.544 19643 4670 1 14 . 1 1 28 28 ASP N N 28 116.979 116.979 120.467 -3.488 19643 4671 1 14 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.702 -0.181 19643 4672 1 14 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.712 -2.715 19643 4673 1 14 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.305 -2.107 19643 4674 1 14 . 1 1 29 29 ASN N N 29 119.889 119.889 120.129 -0.240 19643 4675 1 14 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.104 -0.227 19643 4676 1 14 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.496 1.290 19643 4677 1 14 . 1 1 29 29 ASN CB C 29 41.288 41.288 38.540 2.748 19643 4678 1 14 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.634 -0.046 19643 4679 1 14 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.592 1.791 19643 4680 1 14 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.949 -1.224 19643 4681 1 14 . 1 1 31 31 HIS N N 31 122.889 122.889 118.089 4.800 19643 4682 1 14 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.791 -0.085 19643 4683 1 14 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.444 -1.365 19643 4684 1 14 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.788 -0.140 19643 4685 1 14 . 1 1 32 32 ILE N N 32 115.082 115.082 121.173 -6.091 19643 4686 1 14 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.163 -0.167 19643 4687 1 14 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.234 -2.169 19643 4688 1 14 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.329 1.904 19643 4689 1 14 . 1 1 33 33 GLY N N 33 114.196 114.196 110.066 4.130 19643 4690 1 14 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.616 2.592 19643 4691 1 14 . 1 1 34 34 ASP N N 34 124.358 124.358 118.640 5.718 19643 4692 1 14 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.494 0.093 19643 4693 1 14 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.978 -3.362 19643 4694 1 14 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.099 0.552 19643 4695 1 14 . 1 1 35 35 ASP N N 35 123.575 123.575 120.815 2.760 19643 4696 1 14 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.860 -0.083 19643 4697 1 14 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.760 -0.225 19643 4698 1 14 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.671 0.237 19643 4699 1 14 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.675 -0.181 19643 4700 1 14 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.093 0.228 19643 4701 1 14 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.512 0.433 19643 4702 1 14 . 1 1 37 37 SER N N 37 117.452 117.452 113.985 3.467 19643 4703 1 14 . 1 1 37 37 SER HA H 37 4.077 4.077 4.510 -0.433 19643 4704 1 14 . 1 1 37 37 SER CA C 37 60.109 60.109 57.862 2.247 19643 4705 1 14 . 1 1 37 37 SER CB C 37 63.043 63.043 64.174 -1.131 19643 4706 1 14 . 1 1 38 38 ILE N N 38 123.464 123.464 122.193 1.271 19643 4707 1 14 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.531 0.147 19643 4708 1 14 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.316 -1.825 19643 4709 1 14 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.144 -1.239 19643 4710 1 14 . 1 1 39 39 PHE N N 39 124.567 124.567 128.394 -3.827 19643 4711 1 14 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.861 0.481 19643 4712 1 14 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.773 0.800 19643 4713 1 14 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.247 0.848 19643 4714 1 14 . 1 1 40 40 ILE N N 40 119.768 119.768 122.862 -3.094 19643 4715 1 14 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.174 0.427 19643 4716 1 14 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.249 0.047 19643 4717 1 14 . 1 1 40 40 ILE CB C 40 37.033 37.033 36.962 0.071 19643 4718 1 14 . 1 1 41 41 THR N N 41 118.591 118.591 119.499 -0.908 19643 4719 1 14 . 1 1 41 41 THR HA H 41 4.530 4.530 4.245 0.285 19643 4720 1 14 . 1 1 41 41 THR CA C 41 62.101 62.101 62.365 -0.264 19643 4721 1 14 . 1 1 41 41 THR CB C 41 68.728 68.728 70.656 -1.928 19643 4722 1 14 . 1 1 42 42 LYS N N 42 121.511 121.511 123.230 -1.719 19643 4723 1 14 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.602 -0.329 19643 4724 1 14 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.127 1.438 19643 4725 1 14 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.572 1.504 19643 4726 1 14 . 1 1 43 43 ILE N N 43 126.187 126.187 124.348 1.839 19643 4727 1 14 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.411 -0.121 19643 4728 1 14 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.272 1.650 19643 4729 1 14 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.485 -1.302 19643 4730 1 14 . 1 1 44 44 ILE N N 44 128.532 128.532 129.425 -0.893 19643 4731 1 14 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.401 -0.247 19643 4732 1 14 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.949 0.070 19643 4733 1 14 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.988 0.228 19643 4734 1 14 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.380 -0.199 19643 4735 1 14 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.468 -0.355 19643 4736 1 14 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.880 -0.495 19643 4737 1 14 . 1 1 46 46 GLY N N 46 111.733 111.733 106.901 4.832 19643 4738 1 14 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.813 0.549 19643 4739 1 14 . 1 1 47 47 GLY N N 47 106.686 106.686 109.116 -2.430 19643 4740 1 14 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.952 0.699 19643 4741 1 14 . 1 1 48 48 ALA N N 48 120.883 120.883 121.651 -0.768 19643 4742 1 14 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.283 -0.255 19643 4743 1 14 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.492 1.091 19643 4744 1 14 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.347 -1.393 19643 4745 1 14 . 1 1 49 49 ALA N N 49 119.457 119.457 120.349 -0.892 19643 4746 1 14 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.214 -0.036 19643 4747 1 14 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.624 0.184 19643 4748 1 14 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.090 0.784 19643 4749 1 14 . 1 1 50 50 ALA N N 50 127.017 127.017 119.326 7.691 19643 4750 1 14 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.362 -0.449 19643 4751 1 14 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.796 1.108 19643 4752 1 14 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.698 0.090 19643 4753 1 14 . 1 1 51 51 GLN N N 51 117.131 117.131 117.774 -0.643 19643 4754 1 14 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.306 -0.405 19643 4755 1 14 . 1 1 51 51 GLN CA C 51 58.538 58.538 58.032 0.506 19643 4756 1 14 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.388 -0.690 19643 4757 1 14 . 1 1 52 52 ASP N N 52 118.091 118.091 118.822 -0.731 19643 4758 1 14 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.680 -0.319 19643 4759 1 14 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.568 1.332 19643 4760 1 14 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.398 2.312 19643 4761 1 14 . 1 1 53 53 GLY N N 53 102.763 102.763 107.338 -4.575 19643 4762 1 14 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.309 1.056 19643 4763 1 14 . 1 1 54 54 ARG N N 54 119.861 119.861 118.269 1.592 19643 4764 1 14 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.939 0.234 19643 4765 1 14 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.992 2.383 19643 4766 1 14 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.962 5.344 19643 4767 1 14 . 1 1 55 55 LEU N N 55 120.459 120.459 121.081 -0.622 19643 4768 1 14 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.617 -0.849 19643 4769 1 14 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.950 1.288 19643 4770 1 14 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.555 -1.215 19643 4771 1 14 . 1 1 56 56 ARG N N 56 122.213 122.213 125.140 -2.927 19643 4772 1 14 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.572 -0.132 19643 4773 1 14 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.904 -1.695 19643 4774 1 14 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.015 0.815 19643 4775 1 14 . 1 1 57 57 VAL N N 57 120.461 120.461 122.044 -1.583 19643 4776 1 14 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.647 -0.495 19643 4777 1 14 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.264 0.259 19643 4778 1 14 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.170 -1.009 19643 4779 1 14 . 1 1 58 58 ASN N N 58 120.800 120.800 114.602 6.198 19643 4780 1 14 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.671 -0.381 19643 4781 1 14 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.813 2.535 19643 4782 1 14 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.996 -1.003 19643 4783 1 14 . 1 1 59 59 ASP N N 59 122.628 122.628 119.156 3.472 19643 4784 1 14 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.613 -0.060 19643 4785 1 14 . 1 1 59 59 ASP CA C 59 56.411 56.411 56.027 0.384 19643 4786 1 14 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.035 -1.335 19643 4787 1 14 . 1 1 60 60 SER N N 60 115.152 115.152 112.468 2.684 19643 4788 1 14 . 1 1 60 60 SER HA H 60 5.391 5.391 4.169 1.222 19643 4789 1 14 . 1 1 60 60 SER CA C 60 55.105 55.105 59.731 -4.626 19643 4790 1 14 . 1 1 60 60 SER CB C 60 65.259 65.259 63.218 2.041 19643 4791 1 14 . 1 1 61 61 ILE N N 61 123.216 123.216 122.767 0.449 19643 4792 1 14 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.274 -0.366 19643 4793 1 14 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.524 -0.060 19643 4794 1 14 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.831 1.247 19643 4795 1 14 . 1 1 62 62 LEU N N 62 126.711 126.711 123.817 2.894 19643 4796 1 14 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.634 -0.434 19643 4797 1 14 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.442 0.205 19643 4798 1 14 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.337 -0.207 19643 4799 1 14 . 1 1 63 63 PHE N N 63 111.486 111.486 117.287 -5.801 19643 4800 1 14 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.133 0.310 19643 4801 1 14 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.973 -0.848 19643 4802 1 14 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.523 1.712 19643 4803 1 14 . 1 1 64 64 VAL N N 64 120.758 120.758 121.387 -0.629 19643 4804 1 14 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.753 -0.444 19643 4805 1 14 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.890 -0.326 19643 4806 1 14 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.036 0.000 19643 4807 1 14 . 1 1 65 65 ASN N N 65 126.150 126.150 126.233 -0.083 19643 4808 1 14 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.221 0.004 19643 4809 1 14 . 1 1 65 65 ASN CA C 65 56.045 56.045 56.838 -0.793 19643 4810 1 14 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.799 -1.551 19643 4811 1 14 . 1 1 67 67 VAL N N 67 124.346 124.346 118.611 5.735 19643 4812 1 14 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.748 -0.931 19643 4813 1 14 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.237 3.205 19643 4814 1 14 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.790 -1.745 19643 4815 1 14 . 1 1 68 68 ASP N N 68 127.980 127.980 124.844 3.136 19643 4816 1 14 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.504 -0.533 19643 4817 1 14 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.648 -1.563 19643 4818 1 14 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.965 0.204 19643 4819 1 14 . 1 1 69 69 VAL N N 69 120.432 120.432 121.162 -0.730 19643 4820 1 14 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.176 0.461 19643 4821 1 14 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.482 -3.497 19643 4822 1 14 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.736 -2.843 19643 4823 1 14 . 1 1 70 70 ARG N N 70 122.630 122.630 118.828 3.802 19643 4824 1 14 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.933 0.199 19643 4825 1 14 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.080 1.688 19643 4826 1 14 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.561 1.010 19643 4827 1 14 . 1 1 71 71 GLU N N 71 120.164 120.164 119.168 0.996 19643 4828 1 14 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.465 -0.172 19643 4829 1 14 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.688 -1.034 19643 4830 1 14 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.744 -0.414 19643 4831 1 14 . 1 1 72 72 VAL N N 72 118.241 118.241 118.521 -0.280 19643 4832 1 14 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.599 0.205 19643 4833 1 14 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.787 -1.439 19643 4834 1 14 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.560 0.427 19643 4835 1 14 . 1 1 73 73 THR N N 73 109.907 109.907 111.112 -1.205 19643 4836 1 14 . 1 1 73 73 THR HA H 73 4.311 4.311 4.493 -0.182 19643 4837 1 14 . 1 1 73 73 THR CA C 73 61.446 61.446 61.077 0.369 19643 4838 1 14 . 1 1 73 73 THR CB C 73 70.324 70.324 70.061 0.263 19643 4839 1 14 . 1 1 74 74 HIS N N 74 122.235 122.235 121.976 0.259 19643 4840 1 14 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.234 -0.352 19643 4841 1 14 . 1 1 74 74 HIS CA C 74 61.669 61.669 61.225 0.444 19643 4842 1 14 . 1 1 74 74 HIS CB C 74 28.523 28.523 30.002 -1.479 19643 4843 1 14 . 1 1 75 75 SER N N 75 111.076 111.076 113.647 -2.571 19643 4844 1 14 . 1 1 75 75 SER HA H 75 3.962 3.962 4.200 -0.238 19643 4845 1 14 . 1 1 75 75 SER CA C 75 61.889 61.889 61.364 0.525 19643 4846 1 14 . 1 1 75 75 SER CB C 75 62.708 62.708 62.909 -0.201 19643 4847 1 14 . 1 1 76 76 ALA N N 76 125.241 125.241 121.524 3.717 19643 4848 1 14 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.220 -0.156 19643 4849 1 14 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.875 1.121 19643 4850 1 14 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.450 -0.087 19643 4851 1 14 . 1 1 77 77 ALA N N 77 123.063 123.063 120.197 2.866 19643 4852 1 14 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.385 -0.585 19643 4853 1 14 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.837 1.647 19643 4854 1 14 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.382 -1.400 19643 4855 1 14 . 1 1 78 78 VAL N N 78 117.348 117.348 118.535 -1.187 19643 4856 1 14 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.651 -0.535 19643 4857 1 14 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.257 1.038 19643 4858 1 14 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.684 0.012 19643 4859 1 14 . 1 1 79 79 GLU N N 79 119.021 119.021 119.602 -0.581 19643 4860 1 14 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.988 -0.116 19643 4861 1 14 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.320 -0.080 19643 4862 1 14 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.270 -0.181 19643 4863 1 14 . 1 1 80 80 ALA N N 80 120.115 120.115 120.651 -0.536 19643 4864 1 14 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.249 -0.281 19643 4865 1 14 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.136 0.577 19643 4866 1 14 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.678 -1.622 19643 4867 1 14 . 1 1 81 81 LEU N N 81 116.561 116.561 116.916 -0.355 19643 4868 1 14 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.303 -0.502 19643 4869 1 14 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.732 1.563 19643 4870 1 14 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.377 -0.755 19643 4871 1 14 . 1 1 82 82 LYS N N 82 121.600 121.600 117.424 4.176 19643 4872 1 14 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.246 -0.282 19643 4873 1 14 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.764 1.086 19643 4874 1 14 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.076 -0.214 19643 4875 1 14 . 1 1 83 83 GLU N N 83 115.395 115.395 119.045 -3.650 19643 4876 1 14 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.254 0.055 19643 4877 1 14 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.327 -1.201 19643 4878 1 14 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.573 -0.719 19643 4879 1 14 . 1 1 84 84 ALA N N 84 119.693 119.693 121.681 -1.988 19643 4880 1 14 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.218 -0.103 19643 4881 1 14 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.370 0.026 19643 4882 1 14 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.725 1.801 19643 4883 1 14 . 1 1 85 85 GLY N N 85 104.439 104.439 105.785 -1.346 19643 4884 1 14 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.374 -1.609 19643 4885 1 14 . 1 1 86 86 SER N N 86 115.110 115.110 112.187 2.923 19643 4886 1 14 . 1 1 86 86 SER HA H 86 4.129 4.129 4.547 -0.418 19643 4887 1 14 . 1 1 86 86 SER CA C 86 61.282 61.282 58.431 2.851 19643 4888 1 14 . 1 1 86 86 SER CB C 86 63.430 63.430 64.026 -0.596 19643 4889 1 14 . 1 1 87 87 ILE N N 87 120.535 120.535 123.638 -3.103 19643 4890 1 14 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.858 -0.215 19643 4891 1 14 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.574 0.380 19643 4892 1 14 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.793 -1.560 19643 4893 1 14 . 1 1 88 88 VAL N N 88 127.851 127.851 122.345 5.506 19643 4894 1 14 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.671 -0.413 19643 4895 1 14 . 1 1 88 88 VAL CA C 88 61.734 61.734 59.948 1.786 19643 4896 1 14 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.716 -0.502 19643 4897 1 14 . 1 1 89 89 ARG N N 89 127.712 127.712 127.218 0.494 19643 4898 1 14 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.870 -0.079 19643 4899 1 14 . 1 1 89 89 ARG CA C 89 54.776 54.776 55.218 -0.442 19643 4900 1 14 . 1 1 89 89 ARG CB C 89 30.802 30.802 32.433 -1.631 19643 4901 1 14 . 1 1 90 90 LEU N N 90 127.483 127.483 122.868 4.615 19643 4902 1 14 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.057 0.074 19643 4903 1 14 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.971 -1.057 19643 4904 1 14 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.920 -0.813 19643 4905 1 14 . 1 1 91 91 TYR N N 91 125.830 125.830 125.049 0.781 19643 4906 1 14 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.315 0.034 19643 4907 1 14 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.784 1.167 19643 4908 1 14 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.744 -0.498 19643 4909 1 14 . 1 1 92 92 VAL N N 92 121.091 121.091 122.188 -1.097 19643 4910 1 14 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.045 0.429 19643 4911 1 14 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.902 -0.490 19643 4912 1 14 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.520 -0.163 19643 4913 1 14 . 1 1 93 93 MET N N 93 118.712 118.712 120.343 -1.631 19643 4914 1 14 . 1 1 93 93 MET HA H 93 5.103 5.103 4.729 0.374 19643 4915 1 14 . 1 1 93 93 MET CA C 93 53.151 53.151 54.016 -0.865 19643 4916 1 14 . 1 1 93 93 MET CB C 93 36.981 36.981 32.700 4.281 19643 4917 1 14 . 1 1 94 94 ARG N N 94 122.359 122.359 124.123 -1.764 19643 4918 1 14 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.674 0.166 19643 4919 1 14 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.676 -0.671 19643 4920 1 14 . 1 1 94 94 ARG CB C 94 34.135 34.135 32.164 1.971 19643 4921 1 14 . 1 1 95 95 ARG N N 95 120.747 120.747 124.710 -3.963 19643 4922 1 14 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.356 0.260 19643 4923 1 14 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.212 0.336 19643 4924 1 14 . 1 1 95 95 ARG CB C 95 30.811 30.811 30.511 0.300 19643 4925 1 14 . 1 1 96 96 LYS N N 96 125.436 125.436 122.439 2.997 19643 4926 1 14 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.198 0.166 19643 4927 1 14 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.886 -1.375 19643 4928 1 14 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.790 0.986 19643 4929 1 15 . 1 1 2 2 ALA N N 2 123.610 123.610 128.629 -5.019 19643 4930 1 15 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.779 -0.490 19643 4931 1 15 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.728 0.962 19643 4932 1 15 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.121 -0.748 19643 4933 1 15 . 1 1 3 3 MET N N 3 119.242 119.242 121.788 -2.546 19643 4934 1 15 . 1 1 3 3 MET HA H 3 4.422 4.422 4.756 -0.334 19643 4935 1 15 . 1 1 3 3 MET CA C 3 55.333 55.333 54.676 0.657 19643 4936 1 15 . 1 1 3 3 MET CB C 3 32.744 32.744 33.793 -1.049 19643 4937 1 15 . 1 1 4 4 GLU N N 4 122.309 122.309 121.741 0.568 19643 4938 1 15 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.628 -0.328 19643 4939 1 15 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.615 0.791 19643 4940 1 15 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.844 -1.122 19643 4941 1 15 . 1 1 5 5 MET N N 5 120.131 120.131 117.814 2.317 19643 4942 1 15 . 1 1 5 5 MET HA H 5 4.911 4.911 4.651 0.260 19643 4943 1 15 . 1 1 5 5 MET CA C 5 53.780 53.780 55.057 -1.278 19643 4944 1 15 . 1 1 5 5 MET CB C 5 34.203 34.203 33.706 0.497 19643 4945 1 15 . 1 1 6 6 GLU N N 6 121.438 121.438 120.206 1.232 19643 4946 1 15 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.744 -0.239 19643 4947 1 15 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.246 -0.891 19643 4948 1 15 . 1 1 6 6 GLU CB C 6 33.034 33.034 30.936 2.099 19643 4949 1 15 . 1 1 7 7 TYR N N 7 121.043 121.043 124.182 -3.139 19643 4950 1 15 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.953 0.423 19643 4951 1 15 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.309 -1.212 19643 4952 1 15 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.162 1.149 19643 4953 1 15 . 1 1 8 8 GLU N N 8 121.986 121.986 123.687 -1.701 19643 4954 1 15 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.810 -0.424 19643 4955 1 15 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.869 1.216 19643 4956 1 15 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.141 0.770 19643 4957 1 15 . 1 1 9 9 GLU N N 9 125.727 125.727 125.656 0.071 19643 4958 1 15 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.019 0.119 19643 4959 1 15 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.597 -0.792 19643 4960 1 15 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.061 1.051 19643 4961 1 15 . 1 1 10 10 ILE N N 10 130.210 130.210 127.644 2.566 19643 4962 1 15 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.464 -0.521 19643 4963 1 15 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.501 0.691 19643 4964 1 15 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.883 1.730 19643 4965 1 15 . 1 1 11 11 THR N N 11 124.067 124.067 121.838 2.229 19643 4966 1 15 . 1 1 11 11 THR HA H 11 5.212 5.212 4.723 0.489 19643 4967 1 15 . 1 1 11 11 THR CA C 11 61.750 61.750 61.458 0.292 19643 4968 1 15 . 1 1 11 11 THR CB C 11 69.466 69.466 69.951 -0.485 19643 4969 1 15 . 1 1 12 12 LEU N N 12 125.136 125.136 126.552 -1.416 19643 4970 1 15 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.806 -0.100 19643 4971 1 15 . 1 1 12 12 LEU CA C 12 52.502 52.502 52.986 -0.484 19643 4972 1 15 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.024 1.304 19643 4973 1 15 . 1 1 13 13 GLU N N 13 121.986 121.986 122.145 -0.159 19643 4974 1 15 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.782 0.125 19643 4975 1 15 . 1 1 13 13 GLU CA C 13 54.265 54.265 54.755 -0.490 19643 4976 1 15 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.461 -0.182 19643 4977 1 15 . 1 1 14 14 ARG N N 14 125.922 125.922 128.460 -2.538 19643 4978 1 15 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.205 -0.662 19643 4979 1 15 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.844 1.234 19643 4980 1 15 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.594 0.978 19643 4981 1 15 . 1 1 15 15 GLY N N 15 113.035 113.035 113.640 -0.605 19643 4982 1 15 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.669 -0.561 19643 4983 1 15 . 1 1 16 16 ASN N N 16 120.641 120.641 117.157 3.484 19643 4984 1 15 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.666 -0.264 19643 4985 1 15 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.051 1.829 19643 4986 1 15 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.583 -0.520 19643 4987 1 15 . 1 1 17 17 SER N N 17 111.943 111.943 113.743 -1.800 19643 4988 1 15 . 1 1 17 17 SER HA H 17 4.598 4.598 4.609 -0.011 19643 4989 1 15 . 1 1 17 17 SER CA C 17 56.829 56.829 58.640 -1.811 19643 4990 1 15 . 1 1 17 17 SER CB C 17 63.185 63.185 64.890 -1.705 19643 4991 1 15 . 1 1 18 18 GLY N N 18 108.890 108.890 110.667 -1.777 19643 4992 1 15 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.574 0.069 19643 4993 1 15 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.860 0.328 19643 4994 1 15 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.433 -0.013 19643 4995 1 15 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.915 1.254 19643 4996 1 15 . 1 1 20 20 GLY N N 20 106.101 106.101 105.779 0.322 19643 4997 1 15 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.719 1.643 19643 4998 1 15 . 1 1 21 21 PHE N N 21 117.144 117.144 116.003 1.141 19643 4999 1 15 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.036 0.110 19643 5000 1 15 . 1 1 21 21 PHE CA C 21 56.321 56.321 56.125 0.196 19643 5001 1 15 . 1 1 21 21 PHE CB C 21 40.716 40.716 41.133 -0.417 19643 5002 1 15 . 1 1 22 22 SER N N 22 113.822 113.822 115.473 -1.651 19643 5003 1 15 . 1 1 22 22 SER HA H 22 5.765 5.765 4.750 1.015 19643 5004 1 15 . 1 1 22 22 SER CA C 22 56.474 56.474 57.342 -0.868 19643 5005 1 15 . 1 1 22 22 SER CB C 22 65.095 65.095 66.455 -1.360 19643 5006 1 15 . 1 1 23 23 ILE N N 23 114.674 114.674 119.499 -4.825 19643 5007 1 15 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.581 1.165 19643 5008 1 15 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.570 -1.286 19643 5009 1 15 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.289 3.390 19643 5010 1 15 . 1 1 24 24 ALA N N 24 123.084 123.084 129.261 -6.177 19643 5011 1 15 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.743 0.298 19643 5012 1 15 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.254 -1.687 19643 5013 1 15 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.046 3.718 19643 5014 1 15 . 1 1 25 25 GLY N N 25 106.991 106.991 108.944 -1.953 19643 5015 1 15 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.985 -0.081 19643 5016 1 15 . 1 1 26 26 GLY N N 26 108.474 108.474 105.367 3.107 19643 5017 1 15 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.408 -1.875 19643 5018 1 15 . 1 1 27 27 THR N N 27 113.603 113.603 113.836 -0.233 19643 5019 1 15 . 1 1 27 27 THR HA H 27 3.844 3.844 4.390 -0.546 19643 5020 1 15 . 1 1 27 27 THR CA C 27 64.151 64.151 63.776 0.376 19643 5021 1 15 . 1 1 27 27 THR CB C 27 67.979 67.979 69.478 -1.499 19643 5022 1 15 . 1 1 28 28 ASP N N 28 116.979 116.979 119.965 -2.986 19643 5023 1 15 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.706 -0.185 19643 5024 1 15 . 1 1 28 28 ASP CA C 28 51.997 51.997 55.197 -3.200 19643 5025 1 15 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.204 -2.006 19643 5026 1 15 . 1 1 29 29 ASN N N 29 119.889 119.889 119.844 0.045 19643 5027 1 15 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.247 -0.370 19643 5028 1 15 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.939 0.847 19643 5029 1 15 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.792 1.496 19643 5030 1 15 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.610 -0.022 19643 5031 1 15 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.712 1.671 19643 5032 1 15 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.876 -1.151 19643 5033 1 15 . 1 1 31 31 HIS N N 31 122.889 122.889 119.048 3.841 19643 5034 1 15 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.660 0.046 19643 5035 1 15 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.657 -1.577 19643 5036 1 15 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.562 0.086 19643 5037 1 15 . 1 1 32 32 ILE N N 32 115.082 115.082 119.250 -4.168 19643 5038 1 15 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.174 -0.178 19643 5039 1 15 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.043 -1.978 19643 5040 1 15 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.392 1.841 19643 5041 1 15 . 1 1 33 33 GLY N N 33 114.196 114.196 110.227 3.969 19643 5042 1 15 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.564 2.644 19643 5043 1 15 . 1 1 34 34 ASP N N 34 124.358 124.358 118.272 6.086 19643 5044 1 15 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.502 0.085 19643 5045 1 15 . 1 1 34 34 ASP CA C 34 52.616 52.616 55.963 -3.347 19643 5046 1 15 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.384 0.267 19643 5047 1 15 . 1 1 35 35 ASP N N 35 123.575 123.575 120.912 2.663 19643 5048 1 15 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.872 -0.095 19643 5049 1 15 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.111 0.424 19643 5050 1 15 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.883 0.026 19643 5051 1 15 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.628 -0.134 19643 5052 1 15 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.312 0.008 19643 5053 1 15 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.570 0.375 19643 5054 1 15 . 1 1 37 37 SER N N 37 117.452 117.452 114.329 3.123 19643 5055 1 15 . 1 1 37 37 SER HA H 37 4.077 4.077 4.606 -0.529 19643 5056 1 15 . 1 1 37 37 SER CA C 37 60.109 60.109 57.359 2.750 19643 5057 1 15 . 1 1 37 37 SER CB C 37 63.043 63.043 64.506 -1.463 19643 5058 1 15 . 1 1 38 38 ILE N N 38 123.464 123.464 121.007 2.457 19643 5059 1 15 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.769 -0.091 19643 5060 1 15 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.991 -1.500 19643 5061 1 15 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.449 -1.544 19643 5062 1 15 . 1 1 39 39 PHE N N 39 124.567 124.567 128.826 -4.259 19643 5063 1 15 . 1 1 39 39 PHE HA H 39 5.342 5.342 5.014 0.328 19643 5064 1 15 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.562 1.011 19643 5065 1 15 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.584 0.511 19643 5066 1 15 . 1 1 40 40 ILE N N 40 119.768 119.768 123.056 -3.288 19643 5067 1 15 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.243 0.358 19643 5068 1 15 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.095 0.201 19643 5069 1 15 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.389 -0.355 19643 5070 1 15 . 1 1 41 41 THR N N 41 118.591 118.591 115.268 3.323 19643 5071 1 15 . 1 1 41 41 THR HA H 41 4.530 4.530 4.256 0.274 19643 5072 1 15 . 1 1 41 41 THR CA C 41 62.101 62.101 62.061 0.040 19643 5073 1 15 . 1 1 41 41 THR CB C 41 68.728 68.728 71.026 -2.298 19643 5074 1 15 . 1 1 42 42 LYS N N 42 121.511 121.511 123.558 -2.047 19643 5075 1 15 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.643 -0.370 19643 5076 1 15 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.298 1.267 19643 5077 1 15 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.287 1.789 19643 5078 1 15 . 1 1 43 43 ILE N N 43 126.187 126.187 124.667 1.520 19643 5079 1 15 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.413 -0.123 19643 5080 1 15 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.119 1.803 19643 5081 1 15 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.458 -1.275 19643 5082 1 15 . 1 1 44 44 ILE N N 44 128.532 128.532 129.341 -0.809 19643 5083 1 15 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.428 -0.274 19643 5084 1 15 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.794 0.225 19643 5085 1 15 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.970 0.246 19643 5086 1 15 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.369 -0.188 19643 5087 1 15 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.536 -0.423 19643 5088 1 15 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.839 -0.454 19643 5089 1 15 . 1 1 46 46 GLY N N 46 111.733 111.733 106.686 5.047 19643 5090 1 15 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.765 0.598 19643 5091 1 15 . 1 1 47 47 GLY N N 47 106.686 106.686 109.021 -2.335 19643 5092 1 15 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.961 0.690 19643 5093 1 15 . 1 1 48 48 ALA N N 48 120.883 120.883 122.263 -1.380 19643 5094 1 15 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.288 -0.260 19643 5095 1 15 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.184 1.399 19643 5096 1 15 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.506 -1.552 19643 5097 1 15 . 1 1 49 49 ALA N N 49 119.457 119.457 119.805 -0.348 19643 5098 1 15 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.163 0.015 19643 5099 1 15 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.585 0.223 19643 5100 1 15 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.342 0.532 19643 5101 1 15 . 1 1 50 50 ALA N N 50 127.017 127.017 119.667 7.350 19643 5102 1 15 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.382 -0.469 19643 5103 1 15 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.611 1.293 19643 5104 1 15 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.810 -0.022 19643 5105 1 15 . 1 1 51 51 GLN N N 51 117.131 117.131 117.818 -0.687 19643 5106 1 15 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.275 -0.374 19643 5107 1 15 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.758 0.780 19643 5108 1 15 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.349 -0.650 19643 5109 1 15 . 1 1 52 52 ASP N N 52 118.091 118.091 118.909 -0.818 19643 5110 1 15 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.671 -0.310 19643 5111 1 15 . 1 1 52 52 ASP CA C 52 56.900 56.900 54.998 1.902 19643 5112 1 15 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.676 2.035 19643 5113 1 15 . 1 1 53 53 GLY N N 53 102.763 102.763 107.557 -4.794 19643 5114 1 15 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.182 1.183 19643 5115 1 15 . 1 1 54 54 ARG N N 54 119.861 119.861 118.324 1.537 19643 5116 1 15 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.952 0.221 19643 5117 1 15 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.996 2.379 19643 5118 1 15 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.229 5.077 19643 5119 1 15 . 1 1 55 55 LEU N N 55 120.459 120.459 121.448 -0.989 19643 5120 1 15 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.792 -1.024 19643 5121 1 15 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.567 1.671 19643 5122 1 15 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.978 -1.638 19643 5123 1 15 . 1 1 56 56 ARG N N 56 122.213 122.213 125.235 -3.022 19643 5124 1 15 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.697 -0.257 19643 5125 1 15 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.851 -1.642 19643 5126 1 15 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.578 1.252 19643 5127 1 15 . 1 1 57 57 VAL N N 57 120.461 120.461 116.864 3.597 19643 5128 1 15 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.678 -0.526 19643 5129 1 15 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.574 0.950 19643 5130 1 15 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.546 -0.385 19643 5131 1 15 . 1 1 58 58 ASN N N 58 120.800 120.800 115.043 5.757 19643 5132 1 15 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.741 -0.451 19643 5133 1 15 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.651 2.696 19643 5134 1 15 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.426 -1.433 19643 5135 1 15 . 1 1 59 59 ASP N N 59 122.628 122.628 118.695 3.933 19643 5136 1 15 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.531 0.022 19643 5137 1 15 . 1 1 59 59 ASP CA C 59 56.411 56.411 56.052 0.359 19643 5138 1 15 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.824 -1.124 19643 5139 1 15 . 1 1 60 60 SER N N 60 115.152 115.152 112.769 2.383 19643 5140 1 15 . 1 1 60 60 SER HA H 60 5.391 5.391 4.137 1.254 19643 5141 1 15 . 1 1 60 60 SER CA C 60 55.105 55.105 59.209 -4.104 19643 5142 1 15 . 1 1 60 60 SER CB C 60 65.259 65.259 62.970 2.289 19643 5143 1 15 . 1 1 61 61 ILE N N 61 123.216 123.216 125.213 -1.997 19643 5144 1 15 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.280 -0.372 19643 5145 1 15 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.531 -0.066 19643 5146 1 15 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.948 1.130 19643 5147 1 15 . 1 1 62 62 LEU N N 62 126.711 126.711 123.500 3.211 19643 5148 1 15 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.645 -0.445 19643 5149 1 15 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.038 0.609 19643 5150 1 15 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.380 -0.250 19643 5151 1 15 . 1 1 63 63 PHE N N 63 111.486 111.486 117.747 -6.261 19643 5152 1 15 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.332 0.111 19643 5153 1 15 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.062 -0.937 19643 5154 1 15 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.197 2.038 19643 5155 1 15 . 1 1 64 64 VAL N N 64 120.758 120.758 122.482 -1.724 19643 5156 1 15 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.545 -0.236 19643 5157 1 15 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.946 -0.382 19643 5158 1 15 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.202 -1.166 19643 5159 1 15 . 1 1 65 65 ASN N N 65 126.150 126.150 126.519 -0.369 19643 5160 1 15 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.403 -0.178 19643 5161 1 15 . 1 1 65 65 ASN CA C 65 56.045 56.045 54.796 1.249 19643 5162 1 15 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.446 -2.197 19643 5163 1 15 . 1 1 67 67 VAL N N 67 124.346 124.346 116.317 8.029 19643 5164 1 15 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.446 -0.629 19643 5165 1 15 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.115 2.327 19643 5166 1 15 . 1 1 67 67 VAL CB C 67 32.045 32.045 34.331 -2.287 19643 5167 1 15 . 1 1 68 68 ASP N N 68 127.980 127.980 124.272 3.708 19643 5168 1 15 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.293 -0.322 19643 5169 1 15 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.740 -0.655 19643 5170 1 15 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.481 1.688 19643 5171 1 15 . 1 1 69 69 VAL N N 69 120.432 120.432 116.485 3.947 19643 5172 1 15 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.103 0.534 19643 5173 1 15 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.509 -3.524 19643 5174 1 15 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.133 -2.240 19643 5175 1 15 . 1 1 70 70 ARG N N 70 122.630 122.630 119.988 2.642 19643 5176 1 15 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.894 0.238 19643 5177 1 15 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.556 1.212 19643 5178 1 15 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.182 0.389 19643 5179 1 15 . 1 1 71 71 GLU N N 71 120.164 120.164 118.074 2.090 19643 5180 1 15 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.511 -0.218 19643 5181 1 15 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.801 -1.147 19643 5182 1 15 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.865 -0.535 19643 5183 1 15 . 1 1 72 72 VAL N N 72 118.241 118.241 119.217 -0.976 19643 5184 1 15 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.552 0.252 19643 5185 1 15 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.553 -1.205 19643 5186 1 15 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.393 0.594 19643 5187 1 15 . 1 1 73 73 THR N N 73 109.907 109.907 110.304 -0.397 19643 5188 1 15 . 1 1 73 73 THR HA H 73 4.311 4.311 4.595 -0.284 19643 5189 1 15 . 1 1 73 73 THR CA C 73 61.446 61.446 61.318 0.128 19643 5190 1 15 . 1 1 73 73 THR CB C 73 70.324 70.324 70.661 -0.337 19643 5191 1 15 . 1 1 74 74 HIS N N 74 122.235 122.235 120.247 1.988 19643 5192 1 15 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.136 -0.254 19643 5193 1 15 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.880 1.788 19643 5194 1 15 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.730 -0.207 19643 5195 1 15 . 1 1 75 75 SER N N 75 111.076 111.076 115.796 -4.720 19643 5196 1 15 . 1 1 75 75 SER HA H 75 3.962 3.962 4.109 -0.147 19643 5197 1 15 . 1 1 75 75 SER CA C 75 61.889 61.889 60.176 1.713 19643 5198 1 15 . 1 1 75 75 SER CB C 75 62.708 62.708 62.523 0.185 19643 5199 1 15 . 1 1 76 76 ALA N N 76 125.241 125.241 121.726 3.515 19643 5200 1 15 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.291 -0.227 19643 5201 1 15 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.763 1.234 19643 5202 1 15 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.582 -0.220 19643 5203 1 15 . 1 1 77 77 ALA N N 77 123.063 123.063 120.135 2.928 19643 5204 1 15 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.141 -0.341 19643 5205 1 15 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.970 1.514 19643 5206 1 15 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.328 -1.346 19643 5207 1 15 . 1 1 78 78 VAL N N 78 117.348 117.348 118.563 -1.215 19643 5208 1 15 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.680 -0.564 19643 5209 1 15 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.355 0.940 19643 5210 1 15 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.711 -0.015 19643 5211 1 15 . 1 1 79 79 GLU N N 79 119.021 119.021 120.420 -1.399 19643 5212 1 15 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.993 -0.121 19643 5213 1 15 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.104 0.136 19643 5214 1 15 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.122 -0.033 19643 5215 1 15 . 1 1 80 80 ALA N N 80 120.115 120.115 120.267 -0.152 19643 5216 1 15 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.316 -0.348 19643 5217 1 15 . 1 1 80 80 ALA CA C 80 54.713 54.713 53.642 1.071 19643 5218 1 15 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.881 -1.825 19643 5219 1 15 . 1 1 81 81 LEU N N 81 116.561 116.561 117.277 -0.716 19643 5220 1 15 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.285 -0.484 19643 5221 1 15 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.809 1.486 19643 5222 1 15 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.455 -0.833 19643 5223 1 15 . 1 1 82 82 LYS N N 82 121.600 121.600 118.001 3.599 19643 5224 1 15 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.237 -0.273 19643 5225 1 15 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.530 1.320 19643 5226 1 15 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.987 -0.125 19643 5227 1 15 . 1 1 83 83 GLU N N 83 115.395 115.395 118.821 -3.426 19643 5228 1 15 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.193 0.116 19643 5229 1 15 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.174 -2.048 19643 5230 1 15 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.358 -0.504 19643 5231 1 15 . 1 1 84 84 ALA N N 84 119.693 119.693 120.929 -1.236 19643 5232 1 15 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.284 -0.169 19643 5233 1 15 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.340 0.056 19643 5234 1 15 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.724 1.802 19643 5235 1 15 . 1 1 85 85 GLY N N 85 104.439 104.439 105.443 -1.004 19643 5236 1 15 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.464 -2.698 19643 5237 1 15 . 1 1 86 86 SER N N 86 115.110 115.110 114.765 0.345 19643 5238 1 15 . 1 1 86 86 SER HA H 86 4.129 4.129 4.673 -0.544 19643 5239 1 15 . 1 1 86 86 SER CA C 86 61.282 61.282 59.261 2.021 19643 5240 1 15 . 1 1 86 86 SER CB C 86 63.430 63.430 64.486 -1.056 19643 5241 1 15 . 1 1 87 87 ILE N N 87 120.535 120.535 124.171 -3.636 19643 5242 1 15 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.786 -0.143 19643 5243 1 15 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.549 0.405 19643 5244 1 15 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.786 -0.553 19643 5245 1 15 . 1 1 88 88 VAL N N 88 127.851 127.851 122.272 5.579 19643 5246 1 15 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.728 -0.470 19643 5247 1 15 . 1 1 88 88 VAL CA C 88 61.734 61.734 59.975 1.759 19643 5248 1 15 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.961 -0.747 19643 5249 1 15 . 1 1 89 89 ARG N N 89 127.712 127.712 126.094 1.618 19643 5250 1 15 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.937 -0.146 19643 5251 1 15 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.352 0.424 19643 5252 1 15 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.638 0.164 19643 5253 1 15 . 1 1 90 90 LEU N N 90 127.483 127.483 122.104 5.379 19643 5254 1 15 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.998 0.133 19643 5255 1 15 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.814 -0.900 19643 5256 1 15 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.039 0.068 19643 5257 1 15 . 1 1 91 91 TYR N N 91 125.830 125.830 125.139 0.691 19643 5258 1 15 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.309 0.040 19643 5259 1 15 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.743 1.208 19643 5260 1 15 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.757 -0.511 19643 5261 1 15 . 1 1 92 92 VAL N N 92 121.091 121.091 122.330 -1.239 19643 5262 1 15 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.981 0.493 19643 5263 1 15 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.802 -0.390 19643 5264 1 15 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.224 0.133 19643 5265 1 15 . 1 1 93 93 MET N N 93 118.712 118.712 119.211 -0.499 19643 5266 1 15 . 1 1 93 93 MET HA H 93 5.103 5.103 4.713 0.390 19643 5267 1 15 . 1 1 93 93 MET CA C 93 53.151 53.151 54.752 -1.601 19643 5268 1 15 . 1 1 93 93 MET CB C 93 36.981 36.981 34.632 2.349 19643 5269 1 15 . 1 1 94 94 ARG N N 94 122.359 122.359 122.592 -0.233 19643 5270 1 15 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.760 0.080 19643 5271 1 15 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.240 -0.235 19643 5272 1 15 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.301 -0.166 19643 5273 1 15 . 1 1 95 95 ARG N N 95 120.747 120.747 123.010 -2.263 19643 5274 1 15 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.301 0.315 19643 5275 1 15 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.808 -0.260 19643 5276 1 15 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.063 -0.252 19643 5277 1 15 . 1 1 96 96 LYS N N 96 125.436 125.436 124.641 0.795 19643 5278 1 15 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.286 0.078 19643 5279 1 15 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.390 -0.879 19643 5280 1 15 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.668 1.107 19643 5281 1 16 . 1 1 2 2 ALA N N 2 123.610 123.610 123.554 0.056 19643 5282 1 16 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.866 -0.577 19643 5283 1 16 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.590 1.100 19643 5284 1 16 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.620 -0.248 19643 5285 1 16 . 1 1 3 3 MET N N 3 119.242 119.242 121.544 -2.302 19643 5286 1 16 . 1 1 3 3 MET HA H 3 4.422 4.422 4.883 -0.461 19643 5287 1 16 . 1 1 3 3 MET CA C 3 55.333 55.333 54.921 0.412 19643 5288 1 16 . 1 1 3 3 MET CB C 3 32.744 32.744 34.141 -1.397 19643 5289 1 16 . 1 1 4 4 GLU N N 4 122.309 122.309 119.401 2.908 19643 5290 1 16 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.602 -0.302 19643 5291 1 16 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.297 1.109 19643 5292 1 16 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.537 -0.815 19643 5293 1 16 . 1 1 5 5 MET N N 5 120.131 120.131 118.457 1.674 19643 5294 1 16 . 1 1 5 5 MET HA H 5 4.911 4.911 4.442 0.469 19643 5295 1 16 . 1 1 5 5 MET CA C 5 53.780 53.780 55.706 -1.926 19643 5296 1 16 . 1 1 5 5 MET CB C 5 34.203 34.203 33.249 0.954 19643 5297 1 16 . 1 1 6 6 GLU N N 6 121.438 121.438 120.772 0.666 19643 5298 1 16 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.745 -0.240 19643 5299 1 16 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.169 -0.814 19643 5300 1 16 . 1 1 6 6 GLU CB C 6 33.034 33.034 30.882 2.152 19643 5301 1 16 . 1 1 7 7 TYR N N 7 121.043 121.043 123.989 -2.946 19643 5302 1 16 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.018 0.358 19643 5303 1 16 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.263 -1.167 19643 5304 1 16 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.138 1.173 19643 5305 1 16 . 1 1 8 8 GLU N N 8 121.986 121.986 123.699 -1.713 19643 5306 1 16 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.784 -0.398 19643 5307 1 16 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.663 1.422 19643 5308 1 16 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.098 0.812 19643 5309 1 16 . 1 1 9 9 GLU N N 9 125.727 125.727 125.345 0.382 19643 5310 1 16 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.988 0.150 19643 5311 1 16 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.542 -0.737 19643 5312 1 16 . 1 1 9 9 GLU CB C 9 31.112 31.112 29.980 1.132 19643 5313 1 16 . 1 1 10 10 ILE N N 10 130.210 130.210 127.884 2.326 19643 5314 1 16 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.495 -0.552 19643 5315 1 16 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.633 0.559 19643 5316 1 16 . 1 1 10 10 ILE CB C 10 42.613 42.613 41.020 1.593 19643 5317 1 16 . 1 1 11 11 THR N N 11 124.067 124.067 122.838 1.229 19643 5318 1 16 . 1 1 11 11 THR HA H 11 5.212 5.212 4.661 0.551 19643 5319 1 16 . 1 1 11 11 THR CA C 11 61.750 61.750 61.705 0.045 19643 5320 1 16 . 1 1 11 11 THR CB C 11 69.466 69.466 69.822 -0.356 19643 5321 1 16 . 1 1 12 12 LEU N N 12 125.136 125.136 126.430 -1.294 19643 5322 1 16 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.790 -0.084 19643 5323 1 16 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.374 -0.873 19643 5324 1 16 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.282 1.046 19643 5325 1 16 . 1 1 13 13 GLU N N 13 121.986 121.986 121.323 0.663 19643 5326 1 16 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.934 -0.027 19643 5327 1 16 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.089 -0.824 19643 5328 1 16 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.963 -0.684 19643 5329 1 16 . 1 1 14 14 ARG N N 14 125.922 125.922 127.434 -1.512 19643 5330 1 16 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.140 -0.597 19643 5331 1 16 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.768 1.310 19643 5332 1 16 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.558 1.014 19643 5333 1 16 . 1 1 15 15 GLY N N 15 113.035 113.035 113.733 -0.698 19643 5334 1 16 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.439 -0.331 19643 5335 1 16 . 1 1 16 16 ASN N N 16 120.641 120.641 117.842 2.799 19643 5336 1 16 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.529 -0.127 19643 5337 1 16 . 1 1 16 16 ASN CA C 16 55.880 55.880 55.127 0.753 19643 5338 1 16 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.534 -0.471 19643 5339 1 16 . 1 1 17 17 SER N N 17 111.943 111.943 114.173 -2.230 19643 5340 1 16 . 1 1 17 17 SER HA H 17 4.598 4.598 4.546 0.052 19643 5341 1 16 . 1 1 17 17 SER CA C 17 56.829 56.829 58.285 -1.456 19643 5342 1 16 . 1 1 17 17 SER CB C 17 63.185 63.185 64.593 -1.408 19643 5343 1 16 . 1 1 18 18 GLY N N 18 108.890 108.890 110.480 -1.590 19643 5344 1 16 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.621 0.022 19643 5345 1 16 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.815 0.373 19643 5346 1 16 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.508 -1.088 19643 5347 1 16 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.473 1.696 19643 5348 1 16 . 1 1 20 20 GLY N N 20 106.101 106.101 106.760 -0.659 19643 5349 1 16 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.978 1.384 19643 5350 1 16 . 1 1 21 21 PHE N N 21 117.144 117.144 120.255 -3.111 19643 5351 1 16 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.479 0.667 19643 5352 1 16 . 1 1 21 21 PHE CA C 21 56.321 56.321 57.452 -1.131 19643 5353 1 16 . 1 1 21 21 PHE CB C 21 40.716 40.716 39.500 1.216 19643 5354 1 16 . 1 1 22 22 SER N N 22 113.822 113.822 116.414 -2.592 19643 5355 1 16 . 1 1 22 22 SER HA H 22 5.765 5.765 4.628 1.137 19643 5356 1 16 . 1 1 22 22 SER CA C 22 56.474 56.474 57.642 -1.168 19643 5357 1 16 . 1 1 22 22 SER CB C 22 65.095 65.095 65.599 -0.504 19643 5358 1 16 . 1 1 23 23 ILE N N 23 114.674 114.674 120.929 -6.255 19643 5359 1 16 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.581 1.165 19643 5360 1 16 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.246 -0.962 19643 5361 1 16 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.926 3.753 19643 5362 1 16 . 1 1 24 24 ALA N N 24 123.084 123.084 129.002 -5.918 19643 5363 1 16 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.729 0.312 19643 5364 1 16 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.057 -1.490 19643 5365 1 16 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.076 3.688 19643 5366 1 16 . 1 1 25 25 GLY N N 25 106.991 106.991 108.863 -1.872 19643 5367 1 16 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.440 0.464 19643 5368 1 16 . 1 1 26 26 GLY N N 26 108.474 108.474 105.678 2.796 19643 5369 1 16 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.468 -1.935 19643 5370 1 16 . 1 1 27 27 THR N N 27 113.603 113.603 113.384 0.219 19643 5371 1 16 . 1 1 27 27 THR HA H 27 3.844 3.844 4.361 -0.517 19643 5372 1 16 . 1 1 27 27 THR CA C 27 64.151 64.151 63.867 0.284 19643 5373 1 16 . 1 1 27 27 THR CB C 27 67.979 67.979 69.511 -1.532 19643 5374 1 16 . 1 1 28 28 ASP N N 28 116.979 116.979 120.392 -3.413 19643 5375 1 16 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.657 -0.136 19643 5376 1 16 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.928 -2.932 19643 5377 1 16 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.127 -1.929 19643 5378 1 16 . 1 1 29 29 ASN N N 29 119.889 119.889 120.457 -0.568 19643 5379 1 16 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.275 -0.398 19643 5380 1 16 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.600 1.186 19643 5381 1 16 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.544 1.744 19643 5382 1 16 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.564 0.024 19643 5383 1 16 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.719 1.664 19643 5384 1 16 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.959 -1.234 19643 5385 1 16 . 1 1 31 31 HIS N N 31 122.889 122.889 118.069 4.820 19643 5386 1 16 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.722 -0.016 19643 5387 1 16 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.116 -1.037 19643 5388 1 16 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.549 0.099 19643 5389 1 16 . 1 1 32 32 ILE N N 32 115.082 115.082 118.689 -3.607 19643 5390 1 16 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.544 -0.548 19643 5391 1 16 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.273 -3.208 19643 5392 1 16 . 1 1 32 32 ILE CB C 32 40.233 40.233 40.179 0.054 19643 5393 1 16 . 1 1 33 33 GLY N N 33 114.196 114.196 109.295 4.901 19643 5394 1 16 . 1 1 33 33 GLY CA C 33 47.208 47.208 44.901 2.307 19643 5395 1 16 . 1 1 34 34 ASP N N 34 124.358 124.358 118.797 5.561 19643 5396 1 16 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.483 0.104 19643 5397 1 16 . 1 1 34 34 ASP CA C 34 52.616 52.616 56.156 -3.540 19643 5398 1 16 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.500 0.151 19643 5399 1 16 . 1 1 35 35 ASP N N 35 123.575 123.575 120.860 2.715 19643 5400 1 16 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.860 -0.083 19643 5401 1 16 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.103 0.432 19643 5402 1 16 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.235 -0.327 19643 5403 1 16 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.620 -0.126 19643 5404 1 16 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.073 0.247 19643 5405 1 16 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.619 0.326 19643 5406 1 16 . 1 1 37 37 SER N N 37 117.452 117.452 113.567 3.885 19643 5407 1 16 . 1 1 37 37 SER HA H 37 4.077 4.077 4.606 -0.529 19643 5408 1 16 . 1 1 37 37 SER CA C 37 60.109 60.109 57.402 2.707 19643 5409 1 16 . 1 1 37 37 SER CB C 37 63.043 63.043 64.309 -1.266 19643 5410 1 16 . 1 1 38 38 ILE N N 38 123.464 123.464 123.451 0.013 19643 5411 1 16 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.681 -0.003 19643 5412 1 16 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.900 -1.409 19643 5413 1 16 . 1 1 38 38 ILE CB C 38 34.905 34.905 35.906 -1.000 19643 5414 1 16 . 1 1 39 39 PHE N N 39 124.567 124.567 128.513 -3.946 19643 5415 1 16 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.873 0.469 19643 5416 1 16 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.766 0.807 19643 5417 1 16 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.322 0.773 19643 5418 1 16 . 1 1 40 40 ILE N N 40 119.768 119.768 123.726 -3.958 19643 5419 1 16 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.215 0.386 19643 5420 1 16 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.142 0.153 19643 5421 1 16 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.371 -0.338 19643 5422 1 16 . 1 1 41 41 THR N N 41 118.591 118.591 114.295 4.296 19643 5423 1 16 . 1 1 41 41 THR HA H 41 4.530 4.530 4.285 0.245 19643 5424 1 16 . 1 1 41 41 THR CA C 41 62.101 62.101 61.660 0.441 19643 5425 1 16 . 1 1 41 41 THR CB C 41 68.728 68.728 71.057 -2.329 19643 5426 1 16 . 1 1 42 42 LYS N N 42 121.511 121.511 123.337 -1.826 19643 5427 1 16 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.606 -0.333 19643 5428 1 16 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.200 1.365 19643 5429 1 16 . 1 1 42 42 LYS CB C 42 36.076 36.076 33.771 2.305 19643 5430 1 16 . 1 1 43 43 ILE N N 43 126.187 126.187 125.569 0.618 19643 5431 1 16 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.383 -0.093 19643 5432 1 16 . 1 1 43 43 ILE CA C 43 59.922 59.922 59.351 0.571 19643 5433 1 16 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.947 -1.764 19643 5434 1 16 . 1 1 44 44 ILE N N 44 128.532 128.532 128.565 -0.033 19643 5435 1 16 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.424 -0.270 19643 5436 1 16 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.360 0.659 19643 5437 1 16 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.827 0.389 19643 5438 1 16 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.391 -0.210 19643 5439 1 16 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.311 -0.198 19643 5440 1 16 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.911 -0.526 19643 5441 1 16 . 1 1 46 46 GLY N N 46 111.733 111.733 106.738 4.995 19643 5442 1 16 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.793 0.570 19643 5443 1 16 . 1 1 47 47 GLY N N 47 106.686 106.686 109.201 -2.515 19643 5444 1 16 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.906 0.745 19643 5445 1 16 . 1 1 48 48 ALA N N 48 120.883 120.883 121.688 -0.805 19643 5446 1 16 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.351 -0.323 19643 5447 1 16 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.496 1.087 19643 5448 1 16 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.477 -1.523 19643 5449 1 16 . 1 1 49 49 ALA N N 49 119.457 119.457 119.792 -0.335 19643 5450 1 16 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.096 0.082 19643 5451 1 16 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.369 0.439 19643 5452 1 16 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.010 0.864 19643 5453 1 16 . 1 1 50 50 ALA N N 50 127.017 127.017 119.304 7.713 19643 5454 1 16 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.356 -0.443 19643 5455 1 16 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.476 1.428 19643 5456 1 16 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.818 -0.030 19643 5457 1 16 . 1 1 51 51 GLN N N 51 117.131 117.131 117.770 -0.639 19643 5458 1 16 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.260 -0.359 19643 5459 1 16 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.782 0.756 19643 5460 1 16 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.334 -0.636 19643 5461 1 16 . 1 1 52 52 ASP N N 52 118.091 118.091 118.876 -0.785 19643 5462 1 16 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.664 -0.303 19643 5463 1 16 . 1 1 52 52 ASP CA C 52 56.900 56.900 54.986 1.914 19643 5464 1 16 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.673 2.038 19643 5465 1 16 . 1 1 53 53 GLY N N 53 102.763 102.763 107.527 -4.764 19643 5466 1 16 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.213 1.152 19643 5467 1 16 . 1 1 54 54 ARG N N 54 119.861 119.861 118.328 1.533 19643 5468 1 16 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.952 0.221 19643 5469 1 16 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.964 2.411 19643 5470 1 16 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.174 5.132 19643 5471 1 16 . 1 1 55 55 LEU N N 55 120.459 120.459 121.305 -0.846 19643 5472 1 16 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.652 -0.884 19643 5473 1 16 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.982 1.256 19643 5474 1 16 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.131 -0.791 19643 5475 1 16 . 1 1 56 56 ARG N N 56 122.213 122.213 125.248 -3.035 19643 5476 1 16 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.563 -0.123 19643 5477 1 16 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.971 -1.762 19643 5478 1 16 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.081 0.749 19643 5479 1 16 . 1 1 57 57 VAL N N 57 120.461 120.461 122.848 -2.387 19643 5480 1 16 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.715 -0.563 19643 5481 1 16 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.324 0.200 19643 5482 1 16 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.995 -0.834 19643 5483 1 16 . 1 1 58 58 ASN N N 58 120.800 120.800 111.653 9.147 19643 5484 1 16 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.651 -0.361 19643 5485 1 16 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.910 2.438 19643 5486 1 16 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.668 -0.675 19643 5487 1 16 . 1 1 59 59 ASP N N 59 122.628 122.628 120.316 2.312 19643 5488 1 16 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.685 -0.132 19643 5489 1 16 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.996 0.415 19643 5490 1 16 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.302 -1.602 19643 5491 1 16 . 1 1 60 60 SER N N 60 115.152 115.152 113.357 1.795 19643 5492 1 16 . 1 1 60 60 SER HA H 60 5.391 5.391 4.120 1.271 19643 5493 1 16 . 1 1 60 60 SER CA C 60 55.105 55.105 58.722 -3.617 19643 5494 1 16 . 1 1 60 60 SER CB C 60 65.259 65.259 63.458 1.801 19643 5495 1 16 . 1 1 61 61 ILE N N 61 123.216 123.216 123.587 -0.371 19643 5496 1 16 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.220 -0.312 19643 5497 1 16 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.903 -0.439 19643 5498 1 16 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.080 0.998 19643 5499 1 16 . 1 1 62 62 LEU N N 62 126.711 126.711 125.052 1.659 19643 5500 1 16 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.585 -0.385 19643 5501 1 16 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.243 0.404 19643 5502 1 16 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.289 -0.159 19643 5503 1 16 . 1 1 63 63 PHE N N 63 111.486 111.486 117.206 -5.720 19643 5504 1 16 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.184 0.259 19643 5505 1 16 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.947 -0.822 19643 5506 1 16 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.801 1.434 19643 5507 1 16 . 1 1 64 64 VAL N N 64 120.758 120.758 116.727 4.031 19643 5508 1 16 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.743 -0.434 19643 5509 1 16 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.194 0.370 19643 5510 1 16 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.483 -0.447 19643 5511 1 16 . 1 1 65 65 ASN N N 65 126.150 126.150 122.426 3.724 19643 5512 1 16 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.310 -0.085 19643 5513 1 16 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.380 0.664 19643 5514 1 16 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.033 -1.785 19643 5515 1 16 . 1 1 67 67 VAL N N 67 124.346 124.346 115.789 8.557 19643 5516 1 16 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.523 -0.706 19643 5517 1 16 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.720 2.722 19643 5518 1 16 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.874 -1.829 19643 5519 1 16 . 1 1 68 68 ASP N N 68 127.980 127.980 123.115 4.865 19643 5520 1 16 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.241 -0.270 19643 5521 1 16 . 1 1 68 68 ASP CA C 68 53.085 53.085 54.173 -1.088 19643 5522 1 16 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.194 0.975 19643 5523 1 16 . 1 1 69 69 VAL N N 69 120.432 120.432 122.410 -1.978 19643 5524 1 16 . 1 1 69 69 VAL HA H 69 4.637 4.637 3.998 0.639 19643 5525 1 16 . 1 1 69 69 VAL CA C 69 58.985 58.985 61.760 -2.775 19643 5526 1 16 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.290 -2.397 19643 5527 1 16 . 1 1 70 70 ARG N N 70 122.630 122.630 119.521 3.109 19643 5528 1 16 . 1 1 70 70 ARG HA H 70 4.132 4.132 4.050 0.082 19643 5529 1 16 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.904 1.865 19643 5530 1 16 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.235 0.336 19643 5531 1 16 . 1 1 71 71 GLU N N 71 120.164 120.164 118.060 2.104 19643 5532 1 16 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.483 -0.190 19643 5533 1 16 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.946 -1.292 19643 5534 1 16 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.422 -0.091 19643 5535 1 16 . 1 1 72 72 VAL N N 72 118.241 118.241 118.650 -0.409 19643 5536 1 16 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.612 0.192 19643 5537 1 16 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.325 -0.977 19643 5538 1 16 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.267 0.720 19643 5539 1 16 . 1 1 73 73 THR N N 73 109.907 109.907 110.407 -0.500 19643 5540 1 16 . 1 1 73 73 THR HA H 73 4.311 4.311 4.618 -0.307 19643 5541 1 16 . 1 1 73 73 THR CA C 73 61.446 61.446 61.520 -0.074 19643 5542 1 16 . 1 1 73 73 THR CB C 73 70.324 70.324 70.739 -0.415 19643 5543 1 16 . 1 1 74 74 HIS N N 74 122.235 122.235 119.868 2.367 19643 5544 1 16 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.132 -0.250 19643 5545 1 16 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.226 1.443 19643 5546 1 16 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.843 -0.320 19643 5547 1 16 . 1 1 75 75 SER N N 75 111.076 111.076 116.934 -5.858 19643 5548 1 16 . 1 1 75 75 SER HA H 75 3.962 3.962 4.127 -0.165 19643 5549 1 16 . 1 1 75 75 SER CA C 75 61.889 61.889 61.205 0.684 19643 5550 1 16 . 1 1 75 75 SER CB C 75 62.708 62.708 62.166 0.542 19643 5551 1 16 . 1 1 76 76 ALA N N 76 125.241 125.241 121.907 3.334 19643 5552 1 16 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.139 -0.075 19643 5553 1 16 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.654 1.342 19643 5554 1 16 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.369 -0.007 19643 5555 1 16 . 1 1 77 77 ALA N N 77 123.063 123.063 120.239 2.824 19643 5556 1 16 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.411 -0.611 19643 5557 1 16 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.659 1.825 19643 5558 1 16 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.403 -1.421 19643 5559 1 16 . 1 1 78 78 VAL N N 78 117.348 117.348 118.468 -1.120 19643 5560 1 16 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.691 -0.575 19643 5561 1 16 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.015 1.280 19643 5562 1 16 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.802 -0.106 19643 5563 1 16 . 1 1 79 79 GLU N N 79 119.021 119.021 119.037 -0.016 19643 5564 1 16 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.072 -0.200 19643 5565 1 16 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.096 0.144 19643 5566 1 16 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.154 -0.065 19643 5567 1 16 . 1 1 80 80 ALA N N 80 120.115 120.115 120.677 -0.562 19643 5568 1 16 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.300 -0.332 19643 5569 1 16 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.245 0.468 19643 5570 1 16 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.608 -1.552 19643 5571 1 16 . 1 1 81 81 LEU N N 81 116.561 116.561 116.261 0.300 19643 5572 1 16 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.325 -0.524 19643 5573 1 16 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.261 2.034 19643 5574 1 16 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.343 -0.721 19643 5575 1 16 . 1 1 82 82 LYS N N 82 121.600 121.600 117.719 3.881 19643 5576 1 16 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.281 -0.317 19643 5577 1 16 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.245 1.605 19643 5578 1 16 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.079 -0.217 19643 5579 1 16 . 1 1 83 83 GLU N N 83 115.395 115.395 117.877 -2.482 19643 5580 1 16 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.246 0.063 19643 5581 1 16 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.392 -1.266 19643 5582 1 16 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.802 -0.948 19643 5583 1 16 . 1 1 84 84 ALA N N 84 119.693 119.693 121.574 -1.881 19643 5584 1 16 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.218 -0.103 19643 5585 1 16 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.446 -0.049 19643 5586 1 16 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.801 1.725 19643 5587 1 16 . 1 1 85 85 GLY N N 85 104.439 104.439 105.659 -1.220 19643 5588 1 16 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.023 -2.257 19643 5589 1 16 . 1 1 86 86 SER N N 86 115.110 115.110 114.089 1.021 19643 5590 1 16 . 1 1 86 86 SER HA H 86 4.129 4.129 4.656 -0.527 19643 5591 1 16 . 1 1 86 86 SER CA C 86 61.282 61.282 59.092 2.190 19643 5592 1 16 . 1 1 86 86 SER CB C 86 63.430 63.430 65.018 -1.588 19643 5593 1 16 . 1 1 87 87 ILE N N 87 120.535 120.535 123.814 -3.279 19643 5594 1 16 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.862 -0.219 19643 5595 1 16 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.346 0.608 19643 5596 1 16 . 1 1 87 87 ILE CB C 87 38.233 38.233 37.830 0.403 19643 5597 1 16 . 1 1 88 88 VAL N N 88 127.851 127.851 128.420 -0.569 19643 5598 1 16 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.409 -0.151 19643 5599 1 16 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.881 0.853 19643 5600 1 16 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.443 -0.229 19643 5601 1 16 . 1 1 89 89 ARG N N 89 127.712 127.712 127.427 0.285 19643 5602 1 16 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.835 -0.044 19643 5603 1 16 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.763 0.013 19643 5604 1 16 . 1 1 89 89 ARG CB C 89 30.802 30.802 31.713 -0.911 19643 5605 1 16 . 1 1 90 90 LEU N N 90 127.483 127.483 119.703 7.780 19643 5606 1 16 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.063 0.068 19643 5607 1 16 . 1 1 90 90 LEU CA C 90 52.914 52.914 54.058 -1.144 19643 5608 1 16 . 1 1 90 90 LEU CB C 90 44.107 44.107 45.457 -1.350 19643 5609 1 16 . 1 1 91 91 TYR N N 91 125.830 125.830 124.384 1.446 19643 5610 1 16 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.370 -0.021 19643 5611 1 16 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.833 1.118 19643 5612 1 16 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.943 -0.697 19643 5613 1 16 . 1 1 92 92 VAL N N 92 121.091 121.091 121.948 -0.857 19643 5614 1 16 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.961 0.513 19643 5615 1 16 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.887 -0.475 19643 5616 1 16 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.325 0.032 19643 5617 1 16 . 1 1 93 93 MET N N 93 118.712 118.712 119.509 -0.797 19643 5618 1 16 . 1 1 93 93 MET HA H 93 5.103 5.103 4.749 0.354 19643 5619 1 16 . 1 1 93 93 MET CA C 93 53.151 53.151 54.658 -1.507 19643 5620 1 16 . 1 1 93 93 MET CB C 93 36.981 36.981 34.358 2.623 19643 5621 1 16 . 1 1 94 94 ARG N N 94 122.359 122.359 123.102 -0.743 19643 5622 1 16 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.765 0.075 19643 5623 1 16 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.255 -0.250 19643 5624 1 16 . 1 1 94 94 ARG CB C 94 34.135 34.135 32.905 1.230 19643 5625 1 16 . 1 1 95 95 ARG N N 95 120.747 120.747 124.761 -4.014 19643 5626 1 16 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.187 0.429 19643 5627 1 16 . 1 1 95 95 ARG CA C 95 55.548 55.548 56.136 -0.588 19643 5628 1 16 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.089 -0.278 19643 5629 1 16 . 1 1 96 96 LYS N N 96 125.436 125.436 122.765 2.671 19643 5630 1 16 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.336 0.028 19643 5631 1 16 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.603 -1.092 19643 5632 1 16 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.925 0.850 19643 5633 1 17 . 1 1 2 2 ALA N N 2 123.610 123.610 128.220 -4.610 19643 5634 1 17 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.766 -0.477 19643 5635 1 17 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.800 0.890 19643 5636 1 17 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.238 -0.865 19643 5637 1 17 . 1 1 3 3 MET N N 3 119.242 119.242 122.013 -2.771 19643 5638 1 17 . 1 1 3 3 MET HA H 3 4.422 4.422 4.622 -0.200 19643 5639 1 17 . 1 1 3 3 MET CA C 3 55.333 55.333 55.031 0.302 19643 5640 1 17 . 1 1 3 3 MET CB C 3 32.744 32.744 34.024 -1.280 19643 5641 1 17 . 1 1 4 4 GLU N N 4 122.309 122.309 123.541 -1.232 19643 5642 1 17 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.579 -0.279 19643 5643 1 17 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.313 1.093 19643 5644 1 17 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.072 -0.350 19643 5645 1 17 . 1 1 5 5 MET N N 5 120.131 120.131 117.922 2.209 19643 5646 1 17 . 1 1 5 5 MET HA H 5 4.911 4.911 4.574 0.337 19643 5647 1 17 . 1 1 5 5 MET CA C 5 53.780 53.780 55.230 -1.450 19643 5648 1 17 . 1 1 5 5 MET CB C 5 34.203 34.203 33.599 0.605 19643 5649 1 17 . 1 1 6 6 GLU N N 6 121.438 121.438 120.186 1.252 19643 5650 1 17 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.763 -0.258 19643 5651 1 17 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.252 -0.896 19643 5652 1 17 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.146 1.888 19643 5653 1 17 . 1 1 7 7 TYR N N 7 121.043 121.043 123.853 -2.810 19643 5654 1 17 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.949 0.427 19643 5655 1 17 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.347 -1.251 19643 5656 1 17 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.098 1.213 19643 5657 1 17 . 1 1 8 8 GLU N N 8 121.986 121.986 123.354 -1.368 19643 5658 1 17 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.805 -0.419 19643 5659 1 17 . 1 1 8 8 GLU CA C 8 56.085 56.085 55.062 1.023 19643 5660 1 17 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.426 0.484 19643 5661 1 17 . 1 1 9 9 GLU N N 9 125.727 125.727 124.027 1.700 19643 5662 1 17 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.063 0.075 19643 5663 1 17 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.581 -0.776 19643 5664 1 17 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.280 0.832 19643 5665 1 17 . 1 1 10 10 ILE N N 10 130.210 130.210 127.934 2.276 19643 5666 1 17 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.474 -0.531 19643 5667 1 17 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.626 0.566 19643 5668 1 17 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.993 1.620 19643 5669 1 17 . 1 1 11 11 THR N N 11 124.067 124.067 121.980 2.087 19643 5670 1 17 . 1 1 11 11 THR HA H 11 5.212 5.212 4.628 0.584 19643 5671 1 17 . 1 1 11 11 THR CA C 11 61.750 61.750 61.836 -0.086 19643 5672 1 17 . 1 1 11 11 THR CB C 11 69.466 69.466 69.473 -0.007 19643 5673 1 17 . 1 1 12 12 LEU N N 12 125.136 125.136 127.564 -2.428 19643 5674 1 17 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.733 -0.027 19643 5675 1 17 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.945 -1.443 19643 5676 1 17 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.159 1.169 19643 5677 1 17 . 1 1 13 13 GLU N N 13 121.986 121.986 121.577 0.409 19643 5678 1 17 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.778 0.129 19643 5679 1 17 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.250 -0.985 19643 5680 1 17 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.252 0.027 19643 5681 1 17 . 1 1 14 14 ARG N N 14 125.922 125.922 127.043 -1.121 19643 5682 1 17 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.199 -0.656 19643 5683 1 17 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.470 1.608 19643 5684 1 17 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.382 1.190 19643 5685 1 17 . 1 1 15 15 GLY N N 15 113.035 113.035 114.328 -1.293 19643 5686 1 17 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.151 -0.042 19643 5687 1 17 . 1 1 16 16 ASN N N 16 120.641 120.641 118.137 2.504 19643 5688 1 17 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.504 -0.102 19643 5689 1 17 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.487 1.393 19643 5690 1 17 . 1 1 16 16 ASN CB C 16 38.063 38.063 37.904 0.159 19643 5691 1 17 . 1 1 17 17 SER N N 17 111.943 111.943 114.859 -2.916 19643 5692 1 17 . 1 1 17 17 SER HA H 17 4.598 4.598 4.508 0.090 19643 5693 1 17 . 1 1 17 17 SER CA C 17 56.829 56.829 58.365 -1.536 19643 5694 1 17 . 1 1 17 17 SER CB C 17 63.185 63.185 64.061 -0.876 19643 5695 1 17 . 1 1 18 18 GLY N N 18 108.890 108.890 109.281 -0.391 19643 5696 1 17 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.724 -0.081 19643 5697 1 17 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.940 0.248 19643 5698 1 17 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.220 -0.800 19643 5699 1 17 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.604 1.565 19643 5700 1 17 . 1 1 20 20 GLY N N 20 106.101 106.101 106.575 -0.474 19643 5701 1 17 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.949 1.413 19643 5702 1 17 . 1 1 21 21 PHE N N 21 117.144 117.144 116.677 0.467 19643 5703 1 17 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.038 0.108 19643 5704 1 17 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.788 0.533 19643 5705 1 17 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.581 0.135 19643 5706 1 17 . 1 1 22 22 SER N N 22 113.822 113.822 115.214 -1.392 19643 5707 1 17 . 1 1 22 22 SER HA H 22 5.765 5.765 4.618 1.147 19643 5708 1 17 . 1 1 22 22 SER CA C 22 56.474 56.474 57.522 -1.048 19643 5709 1 17 . 1 1 22 22 SER CB C 22 65.095 65.095 66.771 -1.676 19643 5710 1 17 . 1 1 23 23 ILE N N 23 114.674 114.674 119.189 -4.515 19643 5711 1 17 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.592 1.154 19643 5712 1 17 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.496 -1.212 19643 5713 1 17 . 1 1 23 23 ILE CB C 23 42.679 42.679 38.949 3.730 19643 5714 1 17 . 1 1 24 24 ALA N N 24 123.084 123.084 128.727 -5.643 19643 5715 1 17 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.897 0.144 19643 5716 1 17 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.908 -1.341 19643 5717 1 17 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.403 3.361 19643 5718 1 17 . 1 1 25 25 GLY N N 25 106.991 106.991 109.161 -2.170 19643 5719 1 17 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.257 -0.353 19643 5720 1 17 . 1 1 26 26 GLY N N 26 108.474 108.474 105.490 2.984 19643 5721 1 17 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.541 -2.008 19643 5722 1 17 . 1 1 27 27 THR N N 27 113.603 113.603 111.827 1.776 19643 5723 1 17 . 1 1 27 27 THR HA H 27 3.844 3.844 4.478 -0.634 19643 5724 1 17 . 1 1 27 27 THR CA C 27 64.151 64.151 63.000 1.151 19643 5725 1 17 . 1 1 27 27 THR CB C 27 67.979 67.979 69.813 -1.834 19643 5726 1 17 . 1 1 28 28 ASP N N 28 116.979 116.979 120.569 -3.590 19643 5727 1 17 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.710 -0.189 19643 5728 1 17 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.773 -2.776 19643 5729 1 17 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.268 -2.070 19643 5730 1 17 . 1 1 29 29 ASN N N 29 119.889 119.889 119.912 -0.023 19643 5731 1 17 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.078 -0.201 19643 5732 1 17 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.639 1.147 19643 5733 1 17 . 1 1 29 29 ASN CB C 29 41.288 41.288 38.940 2.349 19643 5734 1 17 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.569 0.019 19643 5735 1 17 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.572 1.811 19643 5736 1 17 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.982 -1.257 19643 5737 1 17 . 1 1 31 31 HIS N N 31 122.889 122.889 118.965 3.924 19643 5738 1 17 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.700 0.006 19643 5739 1 17 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.517 -1.438 19643 5740 1 17 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.427 0.221 19643 5741 1 17 . 1 1 32 32 ILE N N 32 115.082 115.082 118.397 -3.315 19643 5742 1 17 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.114 -0.118 19643 5743 1 17 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.092 -2.027 19643 5744 1 17 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.212 2.021 19643 5745 1 17 . 1 1 33 33 GLY N N 33 114.196 114.196 109.379 4.817 19643 5746 1 17 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.007 2.201 19643 5747 1 17 . 1 1 34 34 ASP N N 34 124.358 124.358 120.610 3.748 19643 5748 1 17 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.794 -0.207 19643 5749 1 17 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.873 -1.257 19643 5750 1 17 . 1 1 34 34 ASP CB C 34 40.651 40.651 43.446 -2.795 19643 5751 1 17 . 1 1 35 35 ASP N N 35 123.575 123.575 121.942 1.633 19643 5752 1 17 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.934 -0.157 19643 5753 1 17 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.168 0.367 19643 5754 1 17 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.401 -0.493 19643 5755 1 17 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.639 -0.145 19643 5756 1 17 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.074 0.246 19643 5757 1 17 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.570 0.375 19643 5758 1 17 . 1 1 37 37 SER N N 37 117.452 117.452 113.718 3.734 19643 5759 1 17 . 1 1 37 37 SER HA H 37 4.077 4.077 4.590 -0.513 19643 5760 1 17 . 1 1 37 37 SER CA C 37 60.109 60.109 57.318 2.791 19643 5761 1 17 . 1 1 37 37 SER CB C 37 63.043 63.043 64.633 -1.590 19643 5762 1 17 . 1 1 38 38 ILE N N 38 123.464 123.464 120.938 2.526 19643 5763 1 17 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.610 0.068 19643 5764 1 17 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.946 -1.455 19643 5765 1 17 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.087 -1.182 19643 5766 1 17 . 1 1 39 39 PHE N N 39 124.567 124.567 128.309 -3.742 19643 5767 1 17 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.996 0.346 19643 5768 1 17 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.091 1.482 19643 5769 1 17 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.296 0.799 19643 5770 1 17 . 1 1 40 40 ILE N N 40 119.768 119.768 122.823 -3.055 19643 5771 1 17 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.142 0.459 19643 5772 1 17 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.300 -0.004 19643 5773 1 17 . 1 1 40 40 ILE CB C 40 37.033 37.033 36.880 0.153 19643 5774 1 17 . 1 1 41 41 THR N N 41 118.591 118.591 118.782 -0.191 19643 5775 1 17 . 1 1 41 41 THR HA H 41 4.530 4.530 4.250 0.280 19643 5776 1 17 . 1 1 41 41 THR CA C 41 62.101 62.101 62.389 -0.288 19643 5777 1 17 . 1 1 41 41 THR CB C 41 68.728 68.728 70.557 -1.829 19643 5778 1 17 . 1 1 42 42 LYS N N 42 121.511 121.511 123.353 -1.842 19643 5779 1 17 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.576 -0.303 19643 5780 1 17 . 1 1 42 42 LYS CA C 42 56.565 56.565 54.999 1.566 19643 5781 1 17 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.074 2.002 19643 5782 1 17 . 1 1 43 43 ILE N N 43 126.187 126.187 125.936 0.251 19643 5783 1 17 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.363 -0.073 19643 5784 1 17 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.339 1.583 19643 5785 1 17 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.345 -1.162 19643 5786 1 17 . 1 1 44 44 ILE N N 44 128.532 128.532 129.586 -1.054 19643 5787 1 17 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.401 -0.247 19643 5788 1 17 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.915 0.104 19643 5789 1 17 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.960 0.256 19643 5790 1 17 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.384 -0.203 19643 5791 1 17 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.453 -0.340 19643 5792 1 17 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.860 -0.475 19643 5793 1 17 . 1 1 46 46 GLY N N 46 111.733 111.733 106.817 4.916 19643 5794 1 17 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.801 0.562 19643 5795 1 17 . 1 1 47 47 GLY N N 47 106.686 106.686 109.042 -2.356 19643 5796 1 17 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.938 0.713 19643 5797 1 17 . 1 1 48 48 ALA N N 48 120.883 120.883 121.585 -0.702 19643 5798 1 17 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.282 -0.254 19643 5799 1 17 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.512 1.071 19643 5800 1 17 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.348 -1.393 19643 5801 1 17 . 1 1 49 49 ALA N N 49 119.457 119.457 120.233 -0.776 19643 5802 1 17 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.224 -0.046 19643 5803 1 17 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.618 0.190 19643 5804 1 17 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.099 0.775 19643 5805 1 17 . 1 1 50 50 ALA N N 50 127.017 127.017 119.552 7.465 19643 5806 1 17 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.366 -0.453 19643 5807 1 17 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.669 1.235 19643 5808 1 17 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.775 0.013 19643 5809 1 17 . 1 1 51 51 GLN N N 51 117.131 117.131 117.882 -0.751 19643 5810 1 17 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.293 -0.392 19643 5811 1 17 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.698 0.840 19643 5812 1 17 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.395 -0.697 19643 5813 1 17 . 1 1 52 52 ASP N N 52 118.091 118.091 118.449 -0.358 19643 5814 1 17 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.728 -0.367 19643 5815 1 17 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.177 1.723 19643 5816 1 17 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.471 2.240 19643 5817 1 17 . 1 1 53 53 GLY N N 53 102.763 102.763 107.464 -4.701 19643 5818 1 17 . 1 1 53 53 GLY CA C 53 46.365 46.365 44.995 1.370 19643 5819 1 17 . 1 1 54 54 ARG N N 54 119.861 119.861 118.097 1.764 19643 5820 1 17 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.980 0.193 19643 5821 1 17 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.972 2.403 19643 5822 1 17 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.960 5.346 19643 5823 1 17 . 1 1 55 55 LEU N N 55 120.459 120.459 121.169 -0.710 19643 5824 1 17 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.634 -0.866 19643 5825 1 17 . 1 1 55 55 LEU CA C 55 55.238 55.238 53.965 1.273 19643 5826 1 17 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.025 -0.685 19643 5827 1 17 . 1 1 56 56 ARG N N 56 122.213 122.213 125.170 -2.957 19643 5828 1 17 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.561 -0.121 19643 5829 1 17 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.947 -1.738 19643 5830 1 17 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.167 0.663 19643 5831 1 17 . 1 1 57 57 VAL N N 57 120.461 120.461 122.283 -1.822 19643 5832 1 17 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.713 -0.561 19643 5833 1 17 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.442 0.082 19643 5834 1 17 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.076 -0.915 19643 5835 1 17 . 1 1 58 58 ASN N N 58 120.800 120.800 114.058 6.742 19643 5836 1 17 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.696 -0.406 19643 5837 1 17 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.433 2.915 19643 5838 1 17 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.277 -1.284 19643 5839 1 17 . 1 1 59 59 ASP N N 59 122.628 122.628 119.192 3.436 19643 5840 1 17 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.662 -0.109 19643 5841 1 17 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.630 0.781 19643 5842 1 17 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.265 -1.565 19643 5843 1 17 . 1 1 60 60 SER N N 60 115.152 115.152 112.563 2.589 19643 5844 1 17 . 1 1 60 60 SER HA H 60 5.391 5.391 4.139 1.252 19643 5845 1 17 . 1 1 60 60 SER CA C 60 55.105 55.105 58.987 -3.882 19643 5846 1 17 . 1 1 60 60 SER CB C 60 65.259 65.259 63.393 1.866 19643 5847 1 17 . 1 1 61 61 ILE N N 61 123.216 123.216 122.590 0.626 19643 5848 1 17 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.208 -0.300 19643 5849 1 17 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.757 -0.293 19643 5850 1 17 . 1 1 61 61 ILE CB C 61 39.078 39.078 37.732 1.346 19643 5851 1 17 . 1 1 62 62 LEU N N 62 126.711 126.711 124.079 2.632 19643 5852 1 17 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.593 -0.393 19643 5853 1 17 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.243 0.404 19643 5854 1 17 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.233 -0.103 19643 5855 1 17 . 1 1 63 63 PHE N N 63 111.486 111.486 117.738 -6.252 19643 5856 1 17 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.162 0.281 19643 5857 1 17 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.015 -0.890 19643 5858 1 17 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.078 2.157 19643 5859 1 17 . 1 1 64 64 VAL N N 64 120.758 120.758 121.895 -1.137 19643 5860 1 17 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.451 -0.142 19643 5861 1 17 . 1 1 64 64 VAL CA C 64 60.564 60.564 61.823 -1.259 19643 5862 1 17 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.022 0.014 19643 5863 1 17 . 1 1 65 65 ASN N N 65 126.150 126.150 123.906 2.244 19643 5864 1 17 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.376 -0.151 19643 5865 1 17 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.472 0.573 19643 5866 1 17 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.007 -1.759 19643 5867 1 17 . 1 1 67 67 VAL N N 67 124.346 124.346 115.507 8.839 19643 5868 1 17 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.477 -0.660 19643 5869 1 17 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.833 2.609 19643 5870 1 17 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.801 -1.756 19643 5871 1 17 . 1 1 68 68 ASP N N 68 127.980 127.980 122.669 5.311 19643 5872 1 17 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.304 -0.333 19643 5873 1 17 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.923 -0.838 19643 5874 1 17 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.970 1.199 19643 5875 1 17 . 1 1 69 69 VAL N N 69 120.432 120.432 117.077 3.355 19643 5876 1 17 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.171 0.466 19643 5877 1 17 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.892 -3.907 19643 5878 1 17 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.726 -2.833 19643 5879 1 17 . 1 1 70 70 ARG N N 70 122.630 122.630 119.256 3.374 19643 5880 1 17 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.941 0.191 19643 5881 1 17 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.007 1.762 19643 5882 1 17 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.748 0.823 19643 5883 1 17 . 1 1 71 71 GLU N N 71 120.164 120.164 119.896 0.268 19643 5884 1 17 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.450 -0.157 19643 5885 1 17 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.916 -1.262 19643 5886 1 17 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.635 -0.305 19643 5887 1 17 . 1 1 72 72 VAL N N 72 118.241 118.241 118.272 -0.031 19643 5888 1 17 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.652 0.152 19643 5889 1 17 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.949 -1.601 19643 5890 1 17 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.534 0.453 19643 5891 1 17 . 1 1 73 73 THR N N 73 109.907 109.907 110.758 -0.851 19643 5892 1 17 . 1 1 73 73 THR HA H 73 4.311 4.311 4.601 -0.290 19643 5893 1 17 . 1 1 73 73 THR CA C 73 61.446 61.446 60.488 0.958 19643 5894 1 17 . 1 1 73 73 THR CB C 73 70.324 70.324 70.248 0.076 19643 5895 1 17 . 1 1 74 74 HIS N N 74 122.235 122.235 121.515 0.720 19643 5896 1 17 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.275 -0.393 19643 5897 1 17 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.617 1.052 19643 5898 1 17 . 1 1 74 74 HIS CB C 74 28.523 28.523 30.155 -1.632 19643 5899 1 17 . 1 1 75 75 SER N N 75 111.076 111.076 114.623 -3.547 19643 5900 1 17 . 1 1 75 75 SER HA H 75 3.962 3.962 4.154 -0.192 19643 5901 1 17 . 1 1 75 75 SER CA C 75 61.889 61.889 61.648 0.242 19643 5902 1 17 . 1 1 75 75 SER CB C 75 62.708 62.708 62.889 -0.181 19643 5903 1 17 . 1 1 76 76 ALA N N 76 125.241 125.241 121.532 3.709 19643 5904 1 17 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.210 -0.146 19643 5905 1 17 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.913 1.083 19643 5906 1 17 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.419 -0.058 19643 5907 1 17 . 1 1 77 77 ALA N N 77 123.063 123.063 120.582 2.481 19643 5908 1 17 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.394 -0.594 19643 5909 1 17 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.904 1.580 19643 5910 1 17 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.254 -1.272 19643 5911 1 17 . 1 1 78 78 VAL N N 78 117.348 117.348 118.316 -0.968 19643 5912 1 17 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.712 -0.596 19643 5913 1 17 . 1 1 78 78 VAL CA C 78 67.295 67.295 65.531 1.764 19643 5914 1 17 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.188 0.508 19643 5915 1 17 . 1 1 79 79 GLU N N 79 119.021 119.021 119.777 -0.756 19643 5916 1 17 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.960 -0.088 19643 5917 1 17 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.583 -0.343 19643 5918 1 17 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.243 -0.154 19643 5919 1 17 . 1 1 80 80 ALA N N 80 120.115 120.115 120.150 -0.035 19643 5920 1 17 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.195 -0.227 19643 5921 1 17 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.496 0.217 19643 5922 1 17 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.597 -1.541 19643 5923 1 17 . 1 1 81 81 LEU N N 81 116.561 116.561 117.172 -0.611 19643 5924 1 17 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.184 -0.383 19643 5925 1 17 . 1 1 81 81 LEU CA C 81 58.295 58.295 57.001 1.294 19643 5926 1 17 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.252 -0.630 19643 5927 1 17 . 1 1 82 82 LYS N N 82 121.600 121.600 118.179 3.421 19643 5928 1 17 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.122 -0.158 19643 5929 1 17 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.670 1.180 19643 5930 1 17 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.758 0.104 19643 5931 1 17 . 1 1 83 83 GLU N N 83 115.395 115.395 118.343 -2.948 19643 5932 1 17 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.134 0.175 19643 5933 1 17 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.538 -2.412 19643 5934 1 17 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.314 -0.460 19643 5935 1 17 . 1 1 84 84 ALA N N 84 119.693 119.693 121.662 -1.969 19643 5936 1 17 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.226 -0.111 19643 5937 1 17 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.363 0.033 19643 5938 1 17 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.630 1.896 19643 5939 1 17 . 1 1 85 85 GLY N N 85 104.439 104.439 104.762 -0.323 19643 5940 1 17 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.631 -2.865 19643 5941 1 17 . 1 1 86 86 SER N N 86 115.110 115.110 114.325 0.785 19643 5942 1 17 . 1 1 86 86 SER HA H 86 4.129 4.129 4.673 -0.544 19643 5943 1 17 . 1 1 86 86 SER CA C 86 61.282 61.282 58.506 2.776 19643 5944 1 17 . 1 1 86 86 SER CB C 86 63.430 63.430 65.947 -2.517 19643 5945 1 17 . 1 1 87 87 ILE N N 87 120.535 120.535 122.552 -2.017 19643 5946 1 17 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.860 -0.217 19643 5947 1 17 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.376 0.578 19643 5948 1 17 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.266 -1.033 19643 5949 1 17 . 1 1 88 88 VAL N N 88 127.851 127.851 124.111 3.740 19643 5950 1 17 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.632 -0.374 19643 5951 1 17 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.565 1.169 19643 5952 1 17 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.235 -0.021 19643 5953 1 17 . 1 1 89 89 ARG N N 89 127.712 127.712 126.707 1.005 19643 5954 1 17 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.879 -0.088 19643 5955 1 17 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.549 0.227 19643 5956 1 17 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.230 0.572 19643 5957 1 17 . 1 1 90 90 LEU N N 90 127.483 127.483 121.919 5.564 19643 5958 1 17 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.041 0.090 19643 5959 1 17 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.683 -0.769 19643 5960 1 17 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.255 -0.148 19643 5961 1 17 . 1 1 91 91 TYR N N 91 125.830 125.830 124.182 1.648 19643 5962 1 17 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.366 -0.017 19643 5963 1 17 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.951 1.000 19643 5964 1 17 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.596 -0.350 19643 5965 1 17 . 1 1 92 92 VAL N N 92 121.091 121.091 121.775 -0.684 19643 5966 1 17 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.018 0.456 19643 5967 1 17 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.748 -0.336 19643 5968 1 17 . 1 1 92 92 VAL CB C 92 35.357 35.357 34.959 0.398 19643 5969 1 17 . 1 1 93 93 MET N N 93 118.712 118.712 120.076 -1.364 19643 5970 1 17 . 1 1 93 93 MET HA H 93 5.103 5.103 4.714 0.389 19643 5971 1 17 . 1 1 93 93 MET CA C 93 53.151 53.151 54.167 -1.016 19643 5972 1 17 . 1 1 93 93 MET CB C 93 36.981 36.981 34.077 2.905 19643 5973 1 17 . 1 1 94 94 ARG N N 94 122.359 122.359 123.292 -0.933 19643 5974 1 17 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.763 0.077 19643 5975 1 17 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.173 -0.168 19643 5976 1 17 . 1 1 94 94 ARG CB C 94 34.135 34.135 32.531 1.604 19643 5977 1 17 . 1 1 95 95 ARG N N 95 120.747 120.747 124.902 -4.155 19643 5978 1 17 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.179 0.437 19643 5979 1 17 . 1 1 95 95 ARG CA C 95 55.548 55.548 56.004 -0.456 19643 5980 1 17 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.183 -0.372 19643 5981 1 17 . 1 1 96 96 LYS N N 96 125.436 125.436 123.351 2.085 19643 5982 1 17 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.293 0.071 19643 5983 1 17 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.306 -0.795 19643 5984 1 17 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.671 1.104 19643 5985 1 18 . 1 1 2 2 ALA N N 2 123.610 123.610 127.526 -3.916 19643 5986 1 18 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.729 -0.440 19643 5987 1 18 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.599 1.091 19643 5988 1 18 . 1 1 2 2 ALA CB C 2 19.373 19.373 20.287 -0.914 19643 5989 1 18 . 1 1 3 3 MET N N 3 119.242 119.242 122.397 -3.155 19643 5990 1 18 . 1 1 3 3 MET HA H 3 4.422 4.422 4.692 -0.270 19643 5991 1 18 . 1 1 3 3 MET CA C 3 55.333 55.333 55.362 -0.029 19643 5992 1 18 . 1 1 3 3 MET CB C 3 32.744 32.744 33.345 -0.601 19643 5993 1 18 . 1 1 4 4 GLU N N 4 122.309 122.309 123.171 -0.862 19643 5994 1 18 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.578 -0.278 19643 5995 1 18 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.226 1.180 19643 5996 1 18 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.222 -0.500 19643 5997 1 18 . 1 1 5 5 MET N N 5 120.131 120.131 118.969 1.162 19643 5998 1 18 . 1 1 5 5 MET HA H 5 4.911 4.911 4.489 0.422 19643 5999 1 18 . 1 1 5 5 MET CA C 5 53.780 53.780 55.467 -1.687 19643 6000 1 18 . 1 1 5 5 MET CB C 5 34.203 34.203 33.324 0.879 19643 6001 1 18 . 1 1 6 6 GLU N N 6 121.438 121.438 120.783 0.655 19643 6002 1 18 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.762 -0.257 19643 6003 1 18 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.207 -0.852 19643 6004 1 18 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.098 1.936 19643 6005 1 18 . 1 1 7 7 TYR N N 7 121.043 121.043 124.053 -3.010 19643 6006 1 18 . 1 1 7 7 TYR HA H 7 5.376 5.376 5.008 0.368 19643 6007 1 18 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.076 -0.980 19643 6008 1 18 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.453 0.858 19643 6009 1 18 . 1 1 8 8 GLU N N 8 121.986 121.986 123.160 -1.174 19643 6010 1 18 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.811 -0.425 19643 6011 1 18 . 1 1 8 8 GLU CA C 8 56.085 56.085 55.110 0.975 19643 6012 1 18 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.394 0.516 19643 6013 1 18 . 1 1 9 9 GLU N N 9 125.727 125.727 124.429 1.298 19643 6014 1 18 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.090 0.048 19643 6015 1 18 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.587 -0.782 19643 6016 1 18 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.149 0.963 19643 6017 1 18 . 1 1 10 10 ILE N N 10 130.210 130.210 127.963 2.247 19643 6018 1 18 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.461 -0.518 19643 6019 1 18 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.490 0.702 19643 6020 1 18 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.826 1.787 19643 6021 1 18 . 1 1 11 11 THR N N 11 124.067 124.067 119.561 4.506 19643 6022 1 18 . 1 1 11 11 THR HA H 11 5.212 5.212 4.628 0.584 19643 6023 1 18 . 1 1 11 11 THR CA C 11 61.750 61.750 61.395 0.355 19643 6024 1 18 . 1 1 11 11 THR CB C 11 69.466 69.466 69.446 0.020 19643 6025 1 18 . 1 1 12 12 LEU N N 12 125.136 125.136 126.579 -1.443 19643 6026 1 18 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.790 -0.084 19643 6027 1 18 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.764 -1.262 19643 6028 1 18 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.687 0.641 19643 6029 1 18 . 1 1 13 13 GLU N N 13 121.986 121.986 122.112 -0.126 19643 6030 1 18 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.838 0.069 19643 6031 1 18 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.341 -1.076 19643 6032 1 18 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.398 -0.120 19643 6033 1 18 . 1 1 14 14 ARG N N 14 125.922 125.922 127.419 -1.497 19643 6034 1 18 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.216 -0.673 19643 6035 1 18 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.446 1.632 19643 6036 1 18 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.475 1.097 19643 6037 1 18 . 1 1 15 15 GLY N N 15 113.035 113.035 113.615 -0.580 19643 6038 1 18 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.503 -0.395 19643 6039 1 18 . 1 1 16 16 ASN N N 16 120.641 120.641 119.929 0.712 19643 6040 1 18 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.692 -0.290 19643 6041 1 18 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.571 1.309 19643 6042 1 18 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.852 -0.789 19643 6043 1 18 . 1 1 17 17 SER N N 17 111.943 111.943 113.796 -1.853 19643 6044 1 18 . 1 1 17 17 SER HA H 17 4.598 4.598 4.604 -0.006 19643 6045 1 18 . 1 1 17 17 SER CA C 17 56.829 56.829 59.084 -2.255 19643 6046 1 18 . 1 1 17 17 SER CB C 17 63.185 63.185 64.062 -0.877 19643 6047 1 18 . 1 1 18 18 GLY N N 18 108.890 108.890 109.670 -0.780 19643 6048 1 18 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.479 0.164 19643 6049 1 18 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.886 0.302 19643 6050 1 18 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.136 -0.716 19643 6051 1 18 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.833 1.336 19643 6052 1 18 . 1 1 20 20 GLY N N 20 106.101 106.101 105.481 0.620 19643 6053 1 18 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.939 1.423 19643 6054 1 18 . 1 1 21 21 PHE N N 21 117.144 117.144 116.270 0.874 19643 6055 1 18 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.062 0.084 19643 6056 1 18 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.494 0.827 19643 6057 1 18 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.587 0.129 19643 6058 1 18 . 1 1 22 22 SER N N 22 113.822 113.822 115.435 -1.613 19643 6059 1 18 . 1 1 22 22 SER HA H 22 5.765 5.765 4.631 1.134 19643 6060 1 18 . 1 1 22 22 SER CA C 22 56.474 56.474 57.366 -0.892 19643 6061 1 18 . 1 1 22 22 SER CB C 22 65.095 65.095 65.864 -0.769 19643 6062 1 18 . 1 1 23 23 ILE N N 23 114.674 114.674 119.877 -5.203 19643 6063 1 18 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.764 0.982 19643 6064 1 18 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.386 -1.102 19643 6065 1 18 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.256 3.423 19643 6066 1 18 . 1 1 24 24 ALA N N 24 123.084 123.084 129.840 -6.756 19643 6067 1 18 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.781 0.260 19643 6068 1 18 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.993 -1.426 19643 6069 1 18 . 1 1 24 24 ALA CB C 24 23.764 23.764 19.933 3.832 19643 6070 1 18 . 1 1 25 25 GLY N N 25 106.991 106.991 108.658 -1.667 19643 6071 1 18 . 1 1 25 25 GLY CA C 25 44.904 44.904 44.105 0.799 19643 6072 1 18 . 1 1 26 26 GLY N N 26 108.474 108.474 106.047 2.427 19643 6073 1 18 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.432 -1.899 19643 6074 1 18 . 1 1 27 27 THR N N 27 113.603 113.603 114.111 -0.508 19643 6075 1 18 . 1 1 27 27 THR HA H 27 3.844 3.844 4.489 -0.645 19643 6076 1 18 . 1 1 27 27 THR CA C 27 64.151 64.151 63.576 0.575 19643 6077 1 18 . 1 1 27 27 THR CB C 27 67.979 67.979 69.430 -1.451 19643 6078 1 18 . 1 1 28 28 ASP N N 28 116.979 116.979 120.779 -3.800 19643 6079 1 18 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.736 -0.215 19643 6080 1 18 . 1 1 28 28 ASP CA C 28 51.997 51.997 55.160 -3.163 19643 6081 1 18 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.233 -2.035 19643 6082 1 18 . 1 1 29 29 ASN N N 29 119.889 119.889 119.518 0.371 19643 6083 1 18 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.086 -0.209 19643 6084 1 18 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.667 1.119 19643 6085 1 18 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.391 1.897 19643 6086 1 18 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.667 -0.079 19643 6087 1 18 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.903 1.480 19643 6088 1 18 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.859 -1.134 19643 6089 1 18 . 1 1 31 31 HIS N N 31 122.889 122.889 120.277 2.612 19643 6090 1 18 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.513 0.193 19643 6091 1 18 . 1 1 31 31 HIS CA C 31 56.079 56.079 58.046 -1.967 19643 6092 1 18 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.893 -0.245 19643 6093 1 18 . 1 1 32 32 ILE N N 32 115.082 115.082 114.152 0.930 19643 6094 1 18 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.516 -0.520 19643 6095 1 18 . 1 1 32 32 ILE CA C 32 59.065 59.065 62.459 -3.394 19643 6096 1 18 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.583 0.650 19643 6097 1 18 . 1 1 33 33 GLY N N 33 114.196 114.196 107.545 6.651 19643 6098 1 18 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.637 1.571 19643 6099 1 18 . 1 1 34 34 ASP N N 34 124.358 124.358 119.079 5.279 19643 6100 1 18 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.445 0.142 19643 6101 1 18 . 1 1 34 34 ASP CA C 34 52.616 52.616 54.530 -1.914 19643 6102 1 18 . 1 1 34 34 ASP CB C 34 40.651 40.651 40.580 0.071 19643 6103 1 18 . 1 1 35 35 ASP N N 35 123.575 123.575 122.450 1.125 19643 6104 1 18 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.962 -0.185 19643 6105 1 18 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.008 -0.473 19643 6106 1 18 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.442 -0.534 19643 6107 1 18 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.771 -0.277 19643 6108 1 18 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.287 0.033 19643 6109 1 18 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.613 0.332 19643 6110 1 18 . 1 1 37 37 SER N N 37 117.452 117.452 113.808 3.644 19643 6111 1 18 . 1 1 37 37 SER HA H 37 4.077 4.077 4.465 -0.388 19643 6112 1 18 . 1 1 37 37 SER CA C 37 60.109 60.109 57.540 2.569 19643 6113 1 18 . 1 1 37 37 SER CB C 37 63.043 63.043 64.318 -1.275 19643 6114 1 18 . 1 1 38 38 ILE N N 38 123.464 123.464 122.577 0.887 19643 6115 1 18 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.406 0.272 19643 6116 1 18 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.034 -1.543 19643 6117 1 18 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.560 -1.655 19643 6118 1 18 . 1 1 39 39 PHE N N 39 124.567 124.567 125.876 -1.309 19643 6119 1 18 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.821 0.521 19643 6120 1 18 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.870 0.703 19643 6121 1 18 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.089 1.006 19643 6122 1 18 . 1 1 40 40 ILE N N 40 119.768 119.768 119.332 0.436 19643 6123 1 18 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.457 0.144 19643 6124 1 18 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.240 0.056 19643 6125 1 18 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.147 -0.114 19643 6126 1 18 . 1 1 41 41 THR N N 41 118.591 118.591 114.312 4.279 19643 6127 1 18 . 1 1 41 41 THR HA H 41 4.530 4.530 4.533 -0.003 19643 6128 1 18 . 1 1 41 41 THR CA C 41 62.101 62.101 61.726 0.375 19643 6129 1 18 . 1 1 41 41 THR CB C 41 68.728 68.728 70.864 -2.136 19643 6130 1 18 . 1 1 42 42 LYS N N 42 121.511 121.511 123.272 -1.761 19643 6131 1 18 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.632 -0.359 19643 6132 1 18 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.275 1.290 19643 6133 1 18 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.020 2.057 19643 6134 1 18 . 1 1 43 43 ILE N N 43 126.187 126.187 126.097 0.090 19643 6135 1 18 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.390 -0.100 19643 6136 1 18 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.286 1.636 19643 6137 1 18 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.380 -1.197 19643 6138 1 18 . 1 1 44 44 ILE N N 44 128.532 128.532 129.714 -1.182 19643 6139 1 18 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.398 -0.244 19643 6140 1 18 . 1 1 44 44 ILE CA C 44 59.019 59.019 59.042 -0.023 19643 6141 1 18 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.936 0.280 19643 6142 1 18 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.381 -0.200 19643 6143 1 18 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.530 -0.417 19643 6144 1 18 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.863 -0.478 19643 6145 1 18 . 1 1 46 46 GLY N N 46 111.733 111.733 106.750 4.983 19643 6146 1 18 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.790 0.573 19643 6147 1 18 . 1 1 47 47 GLY N N 47 106.686 106.686 109.012 -2.326 19643 6148 1 18 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.959 0.692 19643 6149 1 18 . 1 1 48 48 ALA N N 48 120.883 120.883 121.908 -1.025 19643 6150 1 18 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.304 -0.276 19643 6151 1 18 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.168 1.415 19643 6152 1 18 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.456 -1.502 19643 6153 1 18 . 1 1 49 49 ALA N N 49 119.457 119.457 120.430 -0.973 19643 6154 1 18 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.154 0.024 19643 6155 1 18 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.698 0.110 19643 6156 1 18 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.145 0.729 19643 6157 1 18 . 1 1 50 50 ALA N N 50 127.017 127.017 119.464 7.553 19643 6158 1 18 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.373 -0.460 19643 6159 1 18 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.616 1.288 19643 6160 1 18 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.681 0.107 19643 6161 1 18 . 1 1 51 51 GLN N N 51 117.131 117.131 117.904 -0.773 19643 6162 1 18 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.305 -0.404 19643 6163 1 18 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.696 0.842 19643 6164 1 18 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.411 -0.713 19643 6165 1 18 . 1 1 52 52 ASP N N 52 118.091 118.091 118.445 -0.354 19643 6166 1 18 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.734 -0.373 19643 6167 1 18 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.178 1.722 19643 6168 1 18 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.461 2.250 19643 6169 1 18 . 1 1 53 53 GLY N N 53 102.763 102.763 107.447 -4.684 19643 6170 1 18 . 1 1 53 53 GLY CA C 53 46.365 46.365 44.973 1.392 19643 6171 1 18 . 1 1 54 54 ARG N N 54 119.861 119.861 118.117 1.744 19643 6172 1 18 . 1 1 54 54 ARG HA H 54 4.173 4.173 3.976 0.197 19643 6173 1 18 . 1 1 54 54 ARG CA C 54 58.375 58.375 55.969 2.406 19643 6174 1 18 . 1 1 54 54 ARG CB C 54 33.306 33.306 27.979 5.327 19643 6175 1 18 . 1 1 55 55 LEU N N 55 120.459 120.459 121.233 -0.774 19643 6176 1 18 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.646 -0.878 19643 6177 1 18 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.042 1.196 19643 6178 1 18 . 1 1 55 55 LEU CB C 55 43.340 43.340 44.097 -0.757 19643 6179 1 18 . 1 1 56 56 ARG N N 56 122.213 122.213 125.116 -2.903 19643 6180 1 18 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.604 -0.164 19643 6181 1 18 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.967 -1.758 19643 6182 1 18 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.121 0.709 19643 6183 1 18 . 1 1 57 57 VAL N N 57 120.461 120.461 122.621 -2.160 19643 6184 1 18 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.774 -0.622 19643 6185 1 18 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.459 0.065 19643 6186 1 18 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.074 -0.913 19643 6187 1 18 . 1 1 58 58 ASN N N 58 120.800 120.800 114.503 6.297 19643 6188 1 18 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.641 -0.351 19643 6189 1 18 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.743 2.605 19643 6190 1 18 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.173 -1.180 19643 6191 1 18 . 1 1 59 59 ASP N N 59 122.628 122.628 118.998 3.630 19643 6192 1 18 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.645 -0.092 19643 6193 1 18 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.899 0.512 19643 6194 1 18 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.011 -1.311 19643 6195 1 18 . 1 1 60 60 SER N N 60 115.152 115.152 112.248 2.904 19643 6196 1 18 . 1 1 60 60 SER HA H 60 5.391 5.391 4.164 1.227 19643 6197 1 18 . 1 1 60 60 SER CA C 60 55.105 55.105 58.442 -3.337 19643 6198 1 18 . 1 1 60 60 SER CB C 60 65.259 65.259 63.557 1.702 19643 6199 1 18 . 1 1 61 61 ILE N N 61 123.216 123.216 125.942 -2.726 19643 6200 1 18 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.241 -0.333 19643 6201 1 18 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.899 -0.435 19643 6202 1 18 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.233 0.844 19643 6203 1 18 . 1 1 62 62 LEU N N 62 126.711 126.711 124.836 1.875 19643 6204 1 18 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.557 -0.357 19643 6205 1 18 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.082 0.565 19643 6206 1 18 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.287 -0.157 19643 6207 1 18 . 1 1 63 63 PHE N N 63 111.486 111.486 117.121 -5.635 19643 6208 1 18 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.175 0.268 19643 6209 1 18 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.804 -0.679 19643 6210 1 18 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.880 1.355 19643 6211 1 18 . 1 1 64 64 VAL N N 64 120.758 120.758 115.950 4.808 19643 6212 1 18 . 1 1 64 64 VAL HA H 64 4.309 4.309 5.025 -0.716 19643 6213 1 18 . 1 1 64 64 VAL CA C 64 60.564 60.564 59.638 0.926 19643 6214 1 18 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.265 -1.229 19643 6215 1 18 . 1 1 65 65 ASN N N 65 126.150 126.150 122.504 3.646 19643 6216 1 18 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.303 -0.078 19643 6217 1 18 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.935 0.110 19643 6218 1 18 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.304 -2.056 19643 6219 1 18 . 1 1 67 67 VAL N N 67 124.346 124.346 116.489 7.857 19643 6220 1 18 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.559 -0.742 19643 6221 1 18 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.617 2.825 19643 6222 1 18 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.105 -1.060 19643 6223 1 18 . 1 1 68 68 ASP N N 68 127.980 127.980 122.658 5.322 19643 6224 1 18 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.273 -0.302 19643 6225 1 18 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.729 -0.644 19643 6226 1 18 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.861 1.308 19643 6227 1 18 . 1 1 69 69 VAL N N 69 120.432 120.432 117.162 3.270 19643 6228 1 18 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.056 0.581 19643 6229 1 18 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.455 -3.470 19643 6230 1 18 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.075 -2.182 19643 6231 1 18 . 1 1 70 70 ARG N N 70 122.630 122.630 119.953 2.677 19643 6232 1 18 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.828 0.304 19643 6233 1 18 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.512 1.256 19643 6234 1 18 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.150 0.421 19643 6235 1 18 . 1 1 71 71 GLU N N 71 120.164 120.164 117.636 2.528 19643 6236 1 18 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.445 -0.152 19643 6237 1 18 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.771 -1.117 19643 6238 1 18 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.947 -0.617 19643 6239 1 18 . 1 1 72 72 VAL N N 72 118.241 118.241 119.413 -1.172 19643 6240 1 18 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.606 0.198 19643 6241 1 18 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.791 -1.442 19643 6242 1 18 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.437 0.550 19643 6243 1 18 . 1 1 73 73 THR N N 73 109.907 109.907 110.739 -0.832 19643 6244 1 18 . 1 1 73 73 THR HA H 73 4.311 4.311 4.607 -0.296 19643 6245 1 18 . 1 1 73 73 THR CA C 73 61.446 61.446 60.755 0.691 19643 6246 1 18 . 1 1 73 73 THR CB C 73 70.324 70.324 70.534 -0.210 19643 6247 1 18 . 1 1 74 74 HIS N N 74 122.235 122.235 119.408 2.827 19643 6248 1 18 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.166 -0.284 19643 6249 1 18 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.007 1.662 19643 6250 1 18 . 1 1 74 74 HIS CB C 74 28.523 28.523 28.872 -0.349 19643 6251 1 18 . 1 1 75 75 SER N N 75 111.076 111.076 116.359 -5.283 19643 6252 1 18 . 1 1 75 75 SER HA H 75 3.962 3.962 4.113 -0.151 19643 6253 1 18 . 1 1 75 75 SER CA C 75 61.889 61.889 60.374 1.515 19643 6254 1 18 . 1 1 75 75 SER CB C 75 62.708 62.708 62.192 0.516 19643 6255 1 18 . 1 1 76 76 ALA N N 76 125.241 125.241 121.244 3.997 19643 6256 1 18 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.055 0.009 19643 6257 1 18 . 1 1 76 76 ALA CA C 76 54.996 54.996 54.038 0.958 19643 6258 1 18 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.332 0.030 19643 6259 1 18 . 1 1 77 77 ALA N N 77 123.063 123.063 120.071 2.992 19643 6260 1 18 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.390 -0.590 19643 6261 1 18 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.827 1.657 19643 6262 1 18 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.336 -1.354 19643 6263 1 18 . 1 1 78 78 VAL N N 78 117.348 117.348 118.389 -1.041 19643 6264 1 18 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.782 -0.666 19643 6265 1 18 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.209 1.086 19643 6266 1 18 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.790 -0.094 19643 6267 1 18 . 1 1 79 79 GLU N N 79 119.021 119.021 119.110 -0.089 19643 6268 1 18 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.028 -0.156 19643 6269 1 18 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.248 -0.008 19643 6270 1 18 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.075 0.014 19643 6271 1 18 . 1 1 80 80 ALA N N 80 120.115 120.115 121.118 -1.003 19643 6272 1 18 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.251 -0.283 19643 6273 1 18 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.398 0.315 19643 6274 1 18 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.439 -1.383 19643 6275 1 18 . 1 1 81 81 LEU N N 81 116.561 116.561 116.338 0.223 19643 6276 1 18 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.316 -0.515 19643 6277 1 18 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.459 1.835 19643 6278 1 18 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.227 -0.605 19643 6279 1 18 . 1 1 82 82 LYS N N 82 121.600 121.600 116.762 4.838 19643 6280 1 18 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.195 -0.231 19643 6281 1 18 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.499 1.351 19643 6282 1 18 . 1 1 82 82 LYS CB C 82 32.862 32.862 33.142 -0.280 19643 6283 1 18 . 1 1 83 83 GLU N N 83 115.395 115.395 117.864 -2.469 19643 6284 1 18 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.301 0.008 19643 6285 1 18 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.046 -0.920 19643 6286 1 18 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.933 -1.079 19643 6287 1 18 . 1 1 84 84 ALA N N 84 119.693 119.693 121.796 -2.103 19643 6288 1 18 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.218 -0.103 19643 6289 1 18 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.486 -0.090 19643 6290 1 18 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.803 1.723 19643 6291 1 18 . 1 1 85 85 GLY N N 85 104.439 104.439 105.588 -1.149 19643 6292 1 18 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.733 -1.967 19643 6293 1 18 . 1 1 86 86 SER N N 86 115.110 115.110 113.857 1.253 19643 6294 1 18 . 1 1 86 86 SER HA H 86 4.129 4.129 4.600 -0.471 19643 6295 1 18 . 1 1 86 86 SER CA C 86 61.282 61.282 59.175 2.107 19643 6296 1 18 . 1 1 86 86 SER CB C 86 63.430 63.430 64.024 -0.594 19643 6297 1 18 . 1 1 87 87 ILE N N 87 120.535 120.535 123.698 -3.163 19643 6298 1 18 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.913 -0.270 19643 6299 1 18 . 1 1 87 87 ILE CA C 87 59.954 59.954 58.863 1.091 19643 6300 1 18 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.262 -1.029 19643 6301 1 18 . 1 1 88 88 VAL N N 88 127.851 127.851 121.945 5.906 19643 6302 1 18 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.693 -0.435 19643 6303 1 18 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.338 1.396 19643 6304 1 18 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.769 -0.555 19643 6305 1 18 . 1 1 89 89 ARG N N 89 127.712 127.712 126.651 1.061 19643 6306 1 18 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.993 -0.202 19643 6307 1 18 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.405 0.371 19643 6308 1 18 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.559 0.243 19643 6309 1 18 . 1 1 90 90 LEU N N 90 127.483 127.483 122.505 4.978 19643 6310 1 18 . 1 1 90 90 LEU HA H 90 5.131 5.131 4.944 0.187 19643 6311 1 18 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.218 -0.304 19643 6312 1 18 . 1 1 90 90 LEU CB C 90 44.107 44.107 42.552 1.555 19643 6313 1 18 . 1 1 91 91 TYR N N 91 125.830 125.830 125.900 -0.070 19643 6314 1 18 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.406 -0.057 19643 6315 1 18 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.725 1.226 19643 6316 1 18 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.262 -0.016 19643 6317 1 18 . 1 1 92 92 VAL N N 92 121.091 121.091 122.265 -1.174 19643 6318 1 18 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.978 0.496 19643 6319 1 18 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.884 -0.472 19643 6320 1 18 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.200 0.157 19643 6321 1 18 . 1 1 93 93 MET N N 93 118.712 118.712 119.614 -0.902 19643 6322 1 18 . 1 1 93 93 MET HA H 93 5.103 5.103 4.794 0.309 19643 6323 1 18 . 1 1 93 93 MET CA C 93 53.151 53.151 54.618 -1.467 19643 6324 1 18 . 1 1 93 93 MET CB C 93 36.981 36.981 34.891 2.090 19643 6325 1 18 . 1 1 94 94 ARG N N 94 122.359 122.359 122.993 -0.634 19643 6326 1 18 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.775 0.065 19643 6327 1 18 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.340 -0.335 19643 6328 1 18 . 1 1 94 94 ARG CB C 94 34.135 34.135 32.906 1.229 19643 6329 1 18 . 1 1 95 95 ARG N N 95 120.747 120.747 124.548 -3.801 19643 6330 1 18 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.222 0.394 19643 6331 1 18 . 1 1 95 95 ARG CA C 95 55.548 55.548 56.294 -0.746 19643 6332 1 18 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.067 -0.256 19643 6333 1 18 . 1 1 96 96 LYS N N 96 125.436 125.436 123.959 1.477 19643 6334 1 18 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.489 -0.125 19643 6335 1 18 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.151 -0.640 19643 6336 1 18 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.449 1.326 19643 6337 1 19 . 1 1 2 2 ALA N N 2 123.610 123.610 124.573 -0.963 19643 6338 1 19 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.752 -0.463 19643 6339 1 19 . 1 1 2 2 ALA CA C 2 52.690 52.690 52.011 0.678 19643 6340 1 19 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.862 -0.489 19643 6341 1 19 . 1 1 3 3 MET N N 3 119.242 119.242 121.318 -2.076 19643 6342 1 19 . 1 1 3 3 MET HA H 3 4.422 4.422 4.739 -0.317 19643 6343 1 19 . 1 1 3 3 MET CA C 3 55.333 55.333 54.815 0.518 19643 6344 1 19 . 1 1 3 3 MET CB C 3 32.744 32.744 33.564 -0.820 19643 6345 1 19 . 1 1 4 4 GLU N N 4 122.309 122.309 122.702 -0.393 19643 6346 1 19 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.807 -0.507 19643 6347 1 19 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.396 1.010 19643 6348 1 19 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.951 -1.229 19643 6349 1 19 . 1 1 5 5 MET N N 5 120.131 120.131 118.105 2.026 19643 6350 1 19 . 1 1 5 5 MET HA H 5 4.911 4.911 5.029 -0.118 19643 6351 1 19 . 1 1 5 5 MET CA C 5 53.780 53.780 54.477 -0.698 19643 6352 1 19 . 1 1 5 5 MET CB C 5 34.203 34.203 34.155 0.048 19643 6353 1 19 . 1 1 6 6 GLU N N 6 121.438 121.438 120.642 0.796 19643 6354 1 19 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.767 -0.262 19643 6355 1 19 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.675 -1.319 19643 6356 1 19 . 1 1 6 6 GLU CB C 6 33.034 33.034 32.621 0.413 19643 6357 1 19 . 1 1 7 7 TYR N N 7 121.043 121.043 123.196 -2.153 19643 6358 1 19 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.948 0.428 19643 6359 1 19 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.377 -1.281 19643 6360 1 19 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.134 1.177 19643 6361 1 19 . 1 1 8 8 GLU N N 8 121.986 121.986 123.521 -1.535 19643 6362 1 19 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.818 -0.432 19643 6363 1 19 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.890 1.195 19643 6364 1 19 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.333 0.577 19643 6365 1 19 . 1 1 9 9 GLU N N 9 125.727 125.727 125.200 0.527 19643 6366 1 19 . 1 1 9 9 GLU HA H 9 5.138 5.138 5.038 0.100 19643 6367 1 19 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.580 -0.775 19643 6368 1 19 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.151 0.961 19643 6369 1 19 . 1 1 10 10 ILE N N 10 130.210 130.210 127.548 2.662 19643 6370 1 19 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.505 -0.562 19643 6371 1 19 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.421 0.771 19643 6372 1 19 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.824 1.789 19643 6373 1 19 . 1 1 11 11 THR N N 11 124.067 124.067 119.481 4.586 19643 6374 1 19 . 1 1 11 11 THR HA H 11 5.212 5.212 4.882 0.330 19643 6375 1 19 . 1 1 11 11 THR CA C 11 61.750 61.750 60.950 0.800 19643 6376 1 19 . 1 1 11 11 THR CB C 11 69.466 69.466 69.713 -0.246 19643 6377 1 19 . 1 1 12 12 LEU N N 12 125.136 125.136 125.499 -0.363 19643 6378 1 19 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.831 -0.125 19643 6379 1 19 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.236 -0.735 19643 6380 1 19 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.790 0.538 19643 6381 1 19 . 1 1 13 13 GLU N N 13 121.986 121.986 121.168 0.818 19643 6382 1 19 . 1 1 13 13 GLU HA H 13 4.907 4.907 5.027 -0.120 19643 6383 1 19 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.670 -1.405 19643 6384 1 19 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.948 -0.669 19643 6385 1 19 . 1 1 14 14 ARG N N 14 125.922 125.922 125.576 0.346 19643 6386 1 19 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.433 -0.890 19643 6387 1 19 . 1 1 14 14 ARG CA C 14 58.078 58.078 55.610 2.468 19643 6388 1 19 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.900 0.672 19643 6389 1 19 . 1 1 15 15 GLY N N 15 113.035 113.035 117.223 -4.188 19643 6390 1 19 . 1 1 15 15 GLY CA C 15 44.108 44.108 46.538 -2.430 19643 6391 1 19 . 1 1 16 16 ASN N N 16 120.641 120.641 120.886 -0.245 19643 6392 1 19 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.601 -0.199 19643 6393 1 19 . 1 1 16 16 ASN CA C 16 55.880 55.880 55.321 0.560 19643 6394 1 19 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.495 -0.432 19643 6395 1 19 . 1 1 17 17 SER N N 17 111.943 111.943 114.617 -2.674 19643 6396 1 19 . 1 1 17 17 SER HA H 17 4.598 4.598 4.514 0.084 19643 6397 1 19 . 1 1 17 17 SER CA C 17 56.829 56.829 58.387 -1.558 19643 6398 1 19 . 1 1 17 17 SER CB C 17 63.185 63.185 64.181 -0.996 19643 6399 1 19 . 1 1 18 18 GLY N N 18 108.890 108.890 110.608 -1.718 19643 6400 1 19 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.686 -0.043 19643 6401 1 19 . 1 1 19 19 LEU HA H 19 4.188 4.188 4.145 0.043 19643 6402 1 19 . 1 1 19 19 LEU CA C 19 56.420 56.420 54.933 1.487 19643 6403 1 19 . 1 1 19 19 LEU CB C 19 42.169 42.169 42.334 -0.165 19643 6404 1 19 . 1 1 20 20 GLY N N 20 106.101 106.101 114.226 -8.125 19643 6405 1 19 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.532 1.830 19643 6406 1 19 . 1 1 21 21 PHE N N 21 117.144 117.144 118.063 -0.919 19643 6407 1 19 . 1 1 21 21 PHE HA H 21 5.146 5.146 4.957 0.189 19643 6408 1 19 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.819 0.502 19643 6409 1 19 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.698 0.018 19643 6410 1 19 . 1 1 22 22 SER N N 22 113.822 113.822 115.019 -1.197 19643 6411 1 19 . 1 1 22 22 SER HA H 22 5.765 5.765 4.692 1.073 19643 6412 1 19 . 1 1 22 22 SER CA C 22 56.474 56.474 57.501 -1.027 19643 6413 1 19 . 1 1 22 22 SER CB C 22 65.095 65.095 65.322 -0.227 19643 6414 1 19 . 1 1 23 23 ILE N N 23 114.674 114.674 120.592 -5.918 19643 6415 1 19 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.649 1.097 19643 6416 1 19 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.614 -1.330 19643 6417 1 19 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.020 3.659 19643 6418 1 19 . 1 1 24 24 ALA N N 24 123.084 123.084 129.028 -5.944 19643 6419 1 19 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.757 0.284 19643 6420 1 19 . 1 1 24 24 ALA CA C 24 49.567 49.567 51.111 -1.544 19643 6421 1 19 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.237 3.527 19643 6422 1 19 . 1 1 25 25 GLY N N 25 106.991 106.991 109.084 -2.093 19643 6423 1 19 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.590 -0.686 19643 6424 1 19 . 1 1 26 26 GLY N N 26 108.474 108.474 105.846 2.628 19643 6425 1 19 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.478 -1.945 19643 6426 1 19 . 1 1 27 27 THR N N 27 113.603 113.603 112.330 1.273 19643 6427 1 19 . 1 1 27 27 THR HA H 27 3.844 3.844 4.342 -0.498 19643 6428 1 19 . 1 1 27 27 THR CA C 27 64.151 64.151 63.482 0.669 19643 6429 1 19 . 1 1 27 27 THR CB C 27 67.979 67.979 69.900 -1.921 19643 6430 1 19 . 1 1 28 28 ASP N N 28 116.979 116.979 121.226 -4.247 19643 6431 1 19 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.692 -0.171 19643 6432 1 19 . 1 1 28 28 ASP CA C 28 51.997 51.997 55.253 -3.256 19643 6433 1 19 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.127 -1.929 19643 6434 1 19 . 1 1 29 29 ASN N N 29 119.889 119.889 120.234 -0.345 19643 6435 1 19 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.275 -0.398 19643 6436 1 19 . 1 1 29 29 ASN CA C 29 52.786 52.786 50.809 1.977 19643 6437 1 19 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.546 1.742 19643 6438 1 19 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.652 -0.064 19643 6439 1 19 . 1 1 30 30 PRO CA C 30 64.383 64.383 63.105 1.278 19643 6440 1 19 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.595 -0.870 19643 6441 1 19 . 1 1 31 31 HIS N N 31 122.889 122.889 120.040 2.849 19643 6442 1 19 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.748 -0.042 19643 6443 1 19 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.239 -1.160 19643 6444 1 19 . 1 1 31 31 HIS CB C 31 30.648 30.648 31.245 -0.597 19643 6445 1 19 . 1 1 32 32 ILE N N 32 115.082 115.082 119.868 -4.786 19643 6446 1 19 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.061 -0.065 19643 6447 1 19 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.245 -2.180 19643 6448 1 19 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.123 2.110 19643 6449 1 19 . 1 1 33 33 GLY N N 33 114.196 114.196 110.237 3.959 19643 6450 1 19 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.051 2.157 19643 6451 1 19 . 1 1 34 34 ASP N N 34 124.358 124.358 120.292 4.066 19643 6452 1 19 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.669 -0.082 19643 6453 1 19 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.676 -1.060 19643 6454 1 19 . 1 1 34 34 ASP CB C 34 40.651 40.651 41.996 -1.345 19643 6455 1 19 . 1 1 35 35 ASP N N 35 123.575 123.575 122.401 1.174 19643 6456 1 19 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.912 -0.135 19643 6457 1 19 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.876 -1.341 19643 6458 1 19 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.894 0.014 19643 6459 1 19 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.664 -0.170 19643 6460 1 19 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.404 -0.084 19643 6461 1 19 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.439 0.506 19643 6462 1 19 . 1 1 37 37 SER N N 37 117.452 117.452 114.920 2.532 19643 6463 1 19 . 1 1 37 37 SER HA H 37 4.077 4.077 4.321 -0.244 19643 6464 1 19 . 1 1 37 37 SER CA C 37 60.109 60.109 57.915 2.194 19643 6465 1 19 . 1 1 37 37 SER CB C 37 63.043 63.043 63.563 -0.520 19643 6466 1 19 . 1 1 38 38 ILE N N 38 123.464 123.464 124.439 -0.975 19643 6467 1 19 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.440 0.238 19643 6468 1 19 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.757 -1.266 19643 6469 1 19 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.560 -1.655 19643 6470 1 19 . 1 1 39 39 PHE N N 39 124.567 124.567 124.110 0.457 19643 6471 1 19 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.735 0.607 19643 6472 1 19 . 1 1 39 39 PHE CA C 39 56.573 56.573 56.303 0.270 19643 6473 1 19 . 1 1 39 39 PHE CB C 39 44.095 44.095 42.999 1.096 19643 6474 1 19 . 1 1 40 40 ILE N N 40 119.768 119.768 118.531 1.237 19643 6475 1 19 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.452 0.149 19643 6476 1 19 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.489 -0.193 19643 6477 1 19 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.401 -0.368 19643 6478 1 19 . 1 1 41 41 THR N N 41 118.591 118.591 119.021 -0.430 19643 6479 1 19 . 1 1 41 41 THR HA H 41 4.530 4.530 4.491 0.039 19643 6480 1 19 . 1 1 41 41 THR CA C 41 62.101 62.101 62.411 -0.310 19643 6481 1 19 . 1 1 41 41 THR CB C 41 68.728 68.728 70.540 -1.812 19643 6482 1 19 . 1 1 42 42 LYS N N 42 121.511 121.511 123.699 -2.188 19643 6483 1 19 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.708 -0.435 19643 6484 1 19 . 1 1 42 42 LYS CA C 42 56.565 56.565 54.981 1.584 19643 6485 1 19 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.073 2.003 19643 6486 1 19 . 1 1 43 43 ILE N N 43 126.187 126.187 124.582 1.605 19643 6487 1 19 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.449 -0.159 19643 6488 1 19 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.105 1.817 19643 6489 1 19 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.390 -1.207 19643 6490 1 19 . 1 1 44 44 ILE N N 44 128.532 128.532 129.433 -0.901 19643 6491 1 19 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.405 -0.251 19643 6492 1 19 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.943 0.076 19643 6493 1 19 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.994 0.222 19643 6494 1 19 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.377 -0.196 19643 6495 1 19 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.494 -0.381 19643 6496 1 19 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.887 -0.502 19643 6497 1 19 . 1 1 46 46 GLY N N 46 111.733 111.733 106.775 4.958 19643 6498 1 19 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.821 0.542 19643 6499 1 19 . 1 1 47 47 GLY N N 47 106.686 106.686 108.829 -2.143 19643 6500 1 19 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.737 0.914 19643 6501 1 19 . 1 1 48 48 ALA N N 48 120.883 120.883 121.480 -0.597 19643 6502 1 19 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.244 -0.216 19643 6503 1 19 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.344 1.239 19643 6504 1 19 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.194 -1.240 19643 6505 1 19 . 1 1 49 49 ALA N N 49 119.457 119.457 120.074 -0.617 19643 6506 1 19 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.070 0.108 19643 6507 1 19 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.414 0.394 19643 6508 1 19 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.490 0.384 19643 6509 1 19 . 1 1 50 50 ALA N N 50 127.017 127.017 118.753 8.264 19643 6510 1 19 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.541 -0.628 19643 6511 1 19 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.665 1.239 19643 6512 1 19 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.731 0.057 19643 6513 1 19 . 1 1 51 51 GLN N N 51 117.131 117.131 117.622 -0.491 19643 6514 1 19 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.342 -0.441 19643 6515 1 19 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.291 1.247 19643 6516 1 19 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.436 -0.739 19643 6517 1 19 . 1 1 52 52 ASP N N 52 118.091 118.091 119.469 -1.378 19643 6518 1 19 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.736 -0.375 19643 6519 1 19 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.410 1.490 19643 6520 1 19 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.759 1.952 19643 6521 1 19 . 1 1 53 53 GLY N N 53 102.763 102.763 107.159 -4.396 19643 6522 1 19 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.736 0.629 19643 6523 1 19 . 1 1 54 54 ARG N N 54 119.861 119.861 116.151 3.710 19643 6524 1 19 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.259 -0.086 19643 6525 1 19 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.287 2.088 19643 6526 1 19 . 1 1 54 54 ARG CB C 54 33.306 33.306 31.538 1.768 19643 6527 1 19 . 1 1 55 55 LEU N N 55 120.459 120.459 123.740 -3.281 19643 6528 1 19 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.311 -0.543 19643 6529 1 19 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.993 0.245 19643 6530 1 19 . 1 1 55 55 LEU CB C 55 43.340 43.340 43.001 0.339 19643 6531 1 19 . 1 1 56 56 ARG N N 56 122.213 122.213 125.582 -3.369 19643 6532 1 19 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.522 -0.082 19643 6533 1 19 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.994 -1.785 19643 6534 1 19 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.124 0.706 19643 6535 1 19 . 1 1 57 57 VAL N N 57 120.461 120.461 122.067 -1.606 19643 6536 1 19 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.703 -0.551 19643 6537 1 19 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.481 0.043 19643 6538 1 19 . 1 1 57 57 VAL CB C 57 31.161 31.161 32.199 -1.038 19643 6539 1 19 . 1 1 58 58 ASN N N 58 120.800 120.800 114.569 6.231 19643 6540 1 19 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.666 -0.376 19643 6541 1 19 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.851 2.497 19643 6542 1 19 . 1 1 58 58 ASN CB C 58 36.993 36.993 37.926 -0.933 19643 6543 1 19 . 1 1 59 59 ASP N N 59 122.628 122.628 119.298 3.330 19643 6544 1 19 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.624 -0.071 19643 6545 1 19 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.990 0.421 19643 6546 1 19 . 1 1 59 59 ASP CB C 59 40.700 40.700 41.990 -1.290 19643 6547 1 19 . 1 1 60 60 SER N N 60 115.152 115.152 112.081 3.071 19643 6548 1 19 . 1 1 60 60 SER HA H 60 5.391 5.391 4.199 1.192 19643 6549 1 19 . 1 1 60 60 SER CA C 60 55.105 55.105 59.447 -4.342 19643 6550 1 19 . 1 1 60 60 SER CB C 60 65.259 65.259 63.510 1.749 19643 6551 1 19 . 1 1 61 61 ILE N N 61 123.216 123.216 121.836 1.380 19643 6552 1 19 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.152 -0.244 19643 6553 1 19 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.502 -0.038 19643 6554 1 19 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.087 0.991 19643 6555 1 19 . 1 1 62 62 LEU N N 62 126.711 126.711 123.484 3.227 19643 6556 1 19 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.584 -0.384 19643 6557 1 19 . 1 1 62 62 LEU CA C 62 56.647 56.647 55.989 0.658 19643 6558 1 19 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.308 -0.178 19643 6559 1 19 . 1 1 63 63 PHE N N 63 111.486 111.486 117.826 -6.340 19643 6560 1 19 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.135 0.308 19643 6561 1 19 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.024 -0.899 19643 6562 1 19 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.181 2.054 19643 6563 1 19 . 1 1 64 64 VAL N N 64 120.758 120.758 122.149 -1.391 19643 6564 1 19 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.533 -0.224 19643 6565 1 19 . 1 1 64 64 VAL CA C 64 60.564 60.564 61.342 -0.778 19643 6566 1 19 . 1 1 64 64 VAL CB C 64 33.036 33.036 32.795 0.241 19643 6567 1 19 . 1 1 65 65 ASN N N 65 126.150 126.150 123.332 2.818 19643 6568 1 19 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.379 -0.154 19643 6569 1 19 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.626 0.419 19643 6570 1 19 . 1 1 65 65 ASN CB C 65 36.248 36.248 37.684 -1.436 19643 6571 1 19 . 1 1 67 67 VAL N N 67 124.346 124.346 117.292 7.054 19643 6572 1 19 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.602 -0.785 19643 6573 1 19 . 1 1 67 67 VAL CA C 67 63.442 63.442 61.221 2.221 19643 6574 1 19 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.429 -1.384 19643 6575 1 19 . 1 1 68 68 ASP N N 68 127.980 127.980 123.133 4.847 19643 6576 1 19 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.294 -0.323 19643 6577 1 19 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.775 -0.690 19643 6578 1 19 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.797 1.372 19643 6579 1 19 . 1 1 69 69 VAL N N 69 120.432 120.432 116.899 3.533 19643 6580 1 19 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.099 0.538 19643 6581 1 19 . 1 1 69 69 VAL CA C 69 58.985 58.985 63.274 -4.289 19643 6582 1 19 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.317 -2.424 19643 6583 1 19 . 1 1 70 70 ARG N N 70 122.630 122.630 118.465 4.165 19643 6584 1 19 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.857 0.275 19643 6585 1 19 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.111 1.657 19643 6586 1 19 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.769 0.802 19643 6587 1 19 . 1 1 71 71 GLU N N 71 120.164 120.164 119.432 0.732 19643 6588 1 19 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.453 -0.160 19643 6589 1 19 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.747 -1.093 19643 6590 1 19 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.721 -0.391 19643 6591 1 19 . 1 1 72 72 VAL N N 72 118.241 118.241 118.047 0.194 19643 6592 1 19 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.583 0.221 19643 6593 1 19 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.877 -1.529 19643 6594 1 19 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.735 0.252 19643 6595 1 19 . 1 1 73 73 THR N N 73 109.907 109.907 111.394 -1.487 19643 6596 1 19 . 1 1 73 73 THR HA H 73 4.311 4.311 4.622 -0.311 19643 6597 1 19 . 1 1 73 73 THR CA C 73 61.446 61.446 60.466 0.980 19643 6598 1 19 . 1 1 73 73 THR CB C 73 70.324 70.324 70.132 0.192 19643 6599 1 19 . 1 1 74 74 HIS N N 74 122.235 122.235 119.353 2.882 19643 6600 1 19 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.259 -0.377 19643 6601 1 19 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.678 1.991 19643 6602 1 19 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.052 -0.529 19643 6603 1 19 . 1 1 75 75 SER N N 75 111.076 111.076 115.650 -4.574 19643 6604 1 19 . 1 1 75 75 SER HA H 75 3.962 3.962 4.180 -0.218 19643 6605 1 19 . 1 1 75 75 SER CA C 75 61.889 61.889 61.376 0.513 19643 6606 1 19 . 1 1 75 75 SER CB C 75 62.708 62.708 62.334 0.374 19643 6607 1 19 . 1 1 76 76 ALA N N 76 125.241 125.241 121.315 3.926 19643 6608 1 19 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.205 -0.141 19643 6609 1 19 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.858 1.138 19643 6610 1 19 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.390 -0.028 19643 6611 1 19 . 1 1 77 77 ALA N N 77 123.063 123.063 120.102 2.961 19643 6612 1 19 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.389 -0.589 19643 6613 1 19 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.675 1.809 19643 6614 1 19 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.461 -1.479 19643 6615 1 19 . 1 1 78 78 VAL N N 78 117.348 117.348 118.323 -0.975 19643 6616 1 19 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.699 -0.583 19643 6617 1 19 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.236 1.059 19643 6618 1 19 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.973 -0.277 19643 6619 1 19 . 1 1 79 79 GLU N N 79 119.021 119.021 119.657 -0.636 19643 6620 1 19 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.045 -0.173 19643 6621 1 19 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.187 0.053 19643 6622 1 19 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.298 -0.209 19643 6623 1 19 . 1 1 80 80 ALA N N 80 120.115 120.115 120.309 -0.194 19643 6624 1 19 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.264 -0.296 19643 6625 1 19 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.092 0.621 19643 6626 1 19 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.759 -1.703 19643 6627 1 19 . 1 1 81 81 LEU N N 81 116.561 116.561 116.945 -0.384 19643 6628 1 19 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.240 -0.439 19643 6629 1 19 . 1 1 81 81 LEU CA C 81 58.295 58.295 57.019 1.276 19643 6630 1 19 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.502 -0.880 19643 6631 1 19 . 1 1 82 82 LYS N N 82 121.600 121.600 117.602 3.998 19643 6632 1 19 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.113 -0.149 19643 6633 1 19 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.685 1.165 19643 6634 1 19 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.664 0.198 19643 6635 1 19 . 1 1 83 83 GLU N N 83 115.395 115.395 117.604 -2.209 19643 6636 1 19 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.261 0.048 19643 6637 1 19 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.068 -0.942 19643 6638 1 19 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.784 -0.930 19643 6639 1 19 . 1 1 84 84 ALA N N 84 119.693 119.693 121.722 -2.029 19643 6640 1 19 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.227 -0.112 19643 6641 1 19 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.394 0.002 19643 6642 1 19 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.738 1.788 19643 6643 1 19 . 1 1 85 85 GLY N N 85 104.439 104.439 106.120 -1.681 19643 6644 1 19 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.178 -1.412 19643 6645 1 19 . 1 1 86 86 SER N N 86 115.110 115.110 113.888 1.222 19643 6646 1 19 . 1 1 86 86 SER HA H 86 4.129 4.129 4.559 -0.430 19643 6647 1 19 . 1 1 86 86 SER CA C 86 61.282 61.282 58.815 2.467 19643 6648 1 19 . 1 1 86 86 SER CB C 86 63.430 63.430 64.495 -1.065 19643 6649 1 19 . 1 1 87 87 ILE N N 87 120.535 120.535 123.739 -3.204 19643 6650 1 19 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.823 -0.180 19643 6651 1 19 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.062 0.892 19643 6652 1 19 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.589 -0.356 19643 6653 1 19 . 1 1 88 88 VAL N N 88 127.851 127.851 123.431 4.420 19643 6654 1 19 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.654 -0.396 19643 6655 1 19 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.503 1.231 19643 6656 1 19 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.644 -0.430 19643 6657 1 19 . 1 1 89 89 ARG N N 89 127.712 127.712 126.236 1.476 19643 6658 1 19 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.039 -0.248 19643 6659 1 19 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.357 0.419 19643 6660 1 19 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.451 0.351 19643 6661 1 19 . 1 1 90 90 LEU N N 90 127.483 127.483 122.107 5.376 19643 6662 1 19 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.009 0.122 19643 6663 1 19 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.793 -0.879 19643 6664 1 19 . 1 1 90 90 LEU CB C 90 44.107 44.107 44.009 0.098 19643 6665 1 19 . 1 1 91 91 TYR N N 91 125.830 125.830 124.994 0.836 19643 6666 1 19 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.312 0.037 19643 6667 1 19 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.760 1.191 19643 6668 1 19 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.839 -0.593 19643 6669 1 19 . 1 1 92 92 VAL N N 92 121.091 121.091 122.163 -1.072 19643 6670 1 19 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.944 0.530 19643 6671 1 19 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.926 -0.514 19643 6672 1 19 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.186 0.171 19643 6673 1 19 . 1 1 93 93 MET N N 93 118.712 118.712 119.213 -0.501 19643 6674 1 19 . 1 1 93 93 MET HA H 93 5.103 5.103 4.694 0.409 19643 6675 1 19 . 1 1 93 93 MET CA C 93 53.151 53.151 54.589 -1.438 19643 6676 1 19 . 1 1 93 93 MET CB C 93 36.981 36.981 34.583 2.398 19643 6677 1 19 . 1 1 94 94 ARG N N 94 122.359 122.359 123.698 -1.339 19643 6678 1 19 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.703 0.137 19643 6679 1 19 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.444 -0.439 19643 6680 1 19 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.727 -0.592 19643 6681 1 19 . 1 1 95 95 ARG N N 95 120.747 120.747 122.115 -1.368 19643 6682 1 19 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.421 0.195 19643 6683 1 19 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.306 0.242 19643 6684 1 19 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.829 -1.018 19643 6685 1 19 . 1 1 96 96 LYS N N 96 125.436 125.436 124.485 0.951 19643 6686 1 19 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.359 0.005 19643 6687 1 19 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.374 -0.863 19643 6688 1 19 . 1 1 96 96 LYS CB C 96 32.775 32.775 32.066 0.709 19643 6689 1 20 . 1 1 2 2 ALA N N 2 123.610 123.610 124.289 -0.679 19643 6690 1 20 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.752 -0.463 19643 6691 1 20 . 1 1 2 2 ALA CA C 2 52.690 52.690 52.235 0.455 19643 6692 1 20 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.685 -0.312 19643 6693 1 20 . 1 1 3 3 MET N N 3 119.242 119.242 121.327 -2.085 19643 6694 1 20 . 1 1 3 3 MET HA H 3 4.422 4.422 4.728 -0.306 19643 6695 1 20 . 1 1 3 3 MET CA C 3 55.333 55.333 55.232 0.101 19643 6696 1 20 . 1 1 3 3 MET CB C 3 32.744 32.744 33.974 -1.230 19643 6697 1 20 . 1 1 4 4 GLU N N 4 122.309 122.309 123.008 -0.699 19643 6698 1 20 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.793 -0.493 19643 6699 1 20 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.632 0.774 19643 6700 1 20 . 1 1 4 4 GLU CB C 4 30.722 30.722 32.081 -1.359 19643 6701 1 20 . 1 1 5 5 MET N N 5 120.131 120.131 118.168 1.963 19643 6702 1 20 . 1 1 5 5 MET HA H 5 4.911 4.911 4.896 0.015 19643 6703 1 20 . 1 1 5 5 MET CA C 5 53.780 53.780 54.454 -0.674 19643 6704 1 20 . 1 1 5 5 MET CB C 5 34.203 34.203 34.075 0.128 19643 6705 1 20 . 1 1 6 6 GLU N N 6 121.438 121.438 119.934 1.504 19643 6706 1 20 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.773 -0.268 19643 6707 1 20 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.283 -0.928 19643 6708 1 20 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.504 1.530 19643 6709 1 20 . 1 1 7 7 TYR N N 7 121.043 121.043 123.999 -2.956 19643 6710 1 20 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.950 0.426 19643 6711 1 20 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.371 -1.275 19643 6712 1 20 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.092 1.219 19643 6713 1 20 . 1 1 8 8 GLU N N 8 121.986 121.986 123.765 -1.779 19643 6714 1 20 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.815 -0.429 19643 6715 1 20 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.815 1.270 19643 6716 1 20 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.200 0.710 19643 6717 1 20 . 1 1 9 9 GLU N N 9 125.727 125.727 125.433 0.294 19643 6718 1 20 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.890 0.248 19643 6719 1 20 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.525 -0.720 19643 6720 1 20 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.208 0.904 19643 6721 1 20 . 1 1 10 10 ILE N N 10 130.210 130.210 128.181 2.029 19643 6722 1 20 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.426 -0.483 19643 6723 1 20 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.677 0.515 19643 6724 1 20 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.398 2.215 19643 6725 1 20 . 1 1 11 11 THR N N 11 124.067 124.067 122.337 1.730 19643 6726 1 20 . 1 1 11 11 THR HA H 11 5.212 5.212 4.924 0.288 19643 6727 1 20 . 1 1 11 11 THR CA C 11 61.750 61.750 61.384 0.366 19643 6728 1 20 . 1 1 11 11 THR CB C 11 69.466 69.466 69.748 -0.282 19643 6729 1 20 . 1 1 12 12 LEU N N 12 125.136 125.136 127.070 -1.934 19643 6730 1 20 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.811 -0.105 19643 6731 1 20 . 1 1 12 12 LEU CA C 12 52.502 52.502 52.685 -0.183 19643 6732 1 20 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.910 0.418 19643 6733 1 20 . 1 1 13 13 GLU N N 13 121.986 121.986 122.682 -0.696 19643 6734 1 20 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.803 0.104 19643 6735 1 20 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.555 -1.290 19643 6736 1 20 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.285 -0.006 19643 6737 1 20 . 1 1 14 14 ARG N N 14 125.922 125.922 126.271 -0.349 19643 6738 1 20 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.196 -0.653 19643 6739 1 20 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.682 1.396 19643 6740 1 20 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.364 1.208 19643 6741 1 20 . 1 1 15 15 GLY N N 15 113.035 113.035 112.983 0.052 19643 6742 1 20 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.026 0.082 19643 6743 1 20 . 1 1 16 16 ASN N N 16 120.641 120.641 118.052 2.589 19643 6744 1 20 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.511 -0.109 19643 6745 1 20 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.854 1.026 19643 6746 1 20 . 1 1 16 16 ASN CB C 16 38.063 38.063 37.942 0.121 19643 6747 1 20 . 1 1 17 17 SER N N 17 111.943 111.943 115.126 -3.183 19643 6748 1 20 . 1 1 17 17 SER HA H 17 4.598 4.598 4.650 -0.052 19643 6749 1 20 . 1 1 17 17 SER CA C 17 56.829 56.829 58.633 -1.804 19643 6750 1 20 . 1 1 17 17 SER CB C 17 63.185 63.185 63.871 -0.686 19643 6751 1 20 . 1 1 18 18 GLY N N 18 108.890 108.890 109.537 -0.647 19643 6752 1 20 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.588 0.055 19643 6753 1 20 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.944 0.244 19643 6754 1 20 . 1 1 19 19 LEU CA C 19 56.420 56.420 57.226 -0.806 19643 6755 1 20 . 1 1 19 19 LEU CB C 19 42.169 42.169 40.603 1.566 19643 6756 1 20 . 1 1 20 20 GLY N N 20 106.101 106.101 106.302 -0.201 19643 6757 1 20 . 1 1 20 20 GLY CA C 20 46.362 46.362 45.060 1.302 19643 6758 1 20 . 1 1 21 21 PHE N N 21 117.144 117.144 116.776 0.368 19643 6759 1 20 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.102 0.044 19643 6760 1 20 . 1 1 21 21 PHE CA C 21 56.321 56.321 56.056 0.265 19643 6761 1 20 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.730 -0.014 19643 6762 1 20 . 1 1 22 22 SER N N 22 113.822 113.822 115.542 -1.720 19643 6763 1 20 . 1 1 22 22 SER HA H 22 5.765 5.765 4.682 1.083 19643 6764 1 20 . 1 1 22 22 SER CA C 22 56.474 56.474 57.299 -0.825 19643 6765 1 20 . 1 1 22 22 SER CB C 22 65.095 65.095 66.251 -1.155 19643 6766 1 20 . 1 1 23 23 ILE N N 23 114.674 114.674 119.953 -5.279 19643 6767 1 20 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.613 1.133 19643 6768 1 20 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.652 -1.368 19643 6769 1 20 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.009 3.670 19643 6770 1 20 . 1 1 24 24 ALA N N 24 123.084 123.084 129.964 -6.880 19643 6771 1 20 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.811 0.230 19643 6772 1 20 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.961 -1.394 19643 6773 1 20 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.061 3.703 19643 6774 1 20 . 1 1 25 25 GLY N N 25 106.991 106.991 109.160 -2.169 19643 6775 1 20 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.472 -0.568 19643 6776 1 20 . 1 1 26 26 GLY N N 26 108.474 108.474 105.689 2.785 19643 6777 1 20 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.443 -1.910 19643 6778 1 20 . 1 1 27 27 THR N N 27 113.603 113.603 111.750 1.853 19643 6779 1 20 . 1 1 27 27 THR HA H 27 3.844 3.844 4.488 -0.644 19643 6780 1 20 . 1 1 27 27 THR CA C 27 64.151 64.151 63.220 0.931 19643 6781 1 20 . 1 1 27 27 THR CB C 27 67.979 67.979 69.407 -1.428 19643 6782 1 20 . 1 1 28 28 ASP N N 28 116.979 116.979 120.607 -3.628 19643 6783 1 20 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.702 -0.181 19643 6784 1 20 . 1 1 28 28 ASP CA C 28 51.997 51.997 55.207 -3.210 19643 6785 1 20 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.213 -2.015 19643 6786 1 20 . 1 1 29 29 ASN N N 29 119.889 119.889 120.818 -0.929 19643 6787 1 20 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.287 -0.410 19643 6788 1 20 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.796 0.990 19643 6789 1 20 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.438 1.850 19643 6790 1 20 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.704 -0.116 19643 6791 1 20 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.789 1.594 19643 6792 1 20 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.419 -0.694 19643 6793 1 20 . 1 1 31 31 HIS N N 31 122.889 122.889 119.829 3.060 19643 6794 1 20 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.700 0.006 19643 6795 1 20 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.168 -1.089 19643 6796 1 20 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.958 -0.310 19643 6797 1 20 . 1 1 32 32 ILE N N 32 115.082 115.082 118.848 -3.766 19643 6798 1 20 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.253 -0.257 19643 6799 1 20 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.234 -2.169 19643 6800 1 20 . 1 1 32 32 ILE CB C 32 40.233 40.233 38.002 2.231 19643 6801 1 20 . 1 1 33 33 GLY N N 33 114.196 114.196 110.146 4.050 19643 6802 1 20 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.172 2.036 19643 6803 1 20 . 1 1 34 34 ASP N N 34 124.358 124.358 120.378 3.980 19643 6804 1 20 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.631 -0.044 19643 6805 1 20 . 1 1 34 34 ASP CA C 34 52.616 52.616 53.813 -1.197 19643 6806 1 20 . 1 1 34 34 ASP CB C 34 40.651 40.651 41.653 -1.002 19643 6807 1 20 . 1 1 35 35 ASP N N 35 123.575 123.575 122.627 0.948 19643 6808 1 20 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.732 0.045 19643 6809 1 20 . 1 1 35 35 ASP CA C 35 51.535 51.535 52.948 -1.413 19643 6810 1 20 . 1 1 35 35 ASP CB C 35 41.908 41.908 41.414 0.494 19643 6811 1 20 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.612 -0.118 19643 6812 1 20 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.257 0.063 19643 6813 1 20 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.361 0.584 19643 6814 1 20 . 1 1 37 37 SER N N 37 117.452 117.452 114.763 2.689 19643 6815 1 20 . 1 1 37 37 SER HA H 37 4.077 4.077 4.527 -0.450 19643 6816 1 20 . 1 1 37 37 SER CA C 37 60.109 60.109 58.336 1.773 19643 6817 1 20 . 1 1 37 37 SER CB C 37 63.043 63.043 63.927 -0.884 19643 6818 1 20 . 1 1 38 38 ILE N N 38 123.464 123.464 126.186 -2.722 19643 6819 1 20 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.555 0.123 19643 6820 1 20 . 1 1 38 38 ILE CA C 38 57.491 57.491 58.870 -1.379 19643 6821 1 20 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.341 -1.436 19643 6822 1 20 . 1 1 39 39 PHE N N 39 124.567 124.567 127.784 -3.217 19643 6823 1 20 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.887 0.455 19643 6824 1 20 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.423 1.150 19643 6825 1 20 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.501 0.594 19643 6826 1 20 . 1 1 40 40 ILE N N 40 119.768 119.768 122.493 -2.725 19643 6827 1 20 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.177 0.424 19643 6828 1 20 . 1 1 40 40 ILE CA C 40 60.296 60.296 59.856 0.440 19643 6829 1 20 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.195 -0.162 19643 6830 1 20 . 1 1 41 41 THR N N 41 118.591 118.591 116.294 2.297 19643 6831 1 20 . 1 1 41 41 THR HA H 41 4.530 4.530 4.249 0.281 19643 6832 1 20 . 1 1 41 41 THR CA C 41 62.101 62.101 61.945 0.156 19643 6833 1 20 . 1 1 41 41 THR CB C 41 68.728 68.728 70.873 -2.145 19643 6834 1 20 . 1 1 42 42 LYS N N 42 121.511 121.511 123.525 -2.014 19643 6835 1 20 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.658 -0.385 19643 6836 1 20 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.367 1.198 19643 6837 1 20 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.408 1.668 19643 6838 1 20 . 1 1 43 43 ILE N N 43 126.187 126.187 124.605 1.582 19643 6839 1 20 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.412 -0.122 19643 6840 1 20 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.130 1.792 19643 6841 1 20 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.451 -1.268 19643 6842 1 20 . 1 1 44 44 ILE N N 44 128.532 128.532 129.624 -1.092 19643 6843 1 20 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.413 -0.259 19643 6844 1 20 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.858 0.161 19643 6845 1 20 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.908 0.308 19643 6846 1 20 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.403 -0.222 19643 6847 1 20 . 1 1 45 45 PRO CA C 45 64.113 64.113 63.826 0.287 19643 6848 1 20 . 1 1 45 45 PRO CB C 45 31.385 31.385 32.154 -0.769 19643 6849 1 20 . 1 1 46 46 GLY N N 46 111.733 111.733 106.117 5.616 19643 6850 1 20 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.834 0.528 19643 6851 1 20 . 1 1 47 47 GLY N N 47 106.686 106.686 109.136 -2.450 19643 6852 1 20 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.912 0.739 19643 6853 1 20 . 1 1 48 48 ALA N N 48 120.883 120.883 121.628 -0.745 19643 6854 1 20 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.302 -0.274 19643 6855 1 20 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.421 1.162 19643 6856 1 20 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.403 -1.449 19643 6857 1 20 . 1 1 49 49 ALA N N 49 119.457 119.457 120.462 -1.005 19643 6858 1 20 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.204 -0.026 19643 6859 1 20 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.673 0.135 19643 6860 1 20 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.133 0.741 19643 6861 1 20 . 1 1 50 50 ALA N N 50 127.017 127.017 118.390 8.627 19643 6862 1 20 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.534 -0.621 19643 6863 1 20 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.545 1.359 19643 6864 1 20 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.638 0.150 19643 6865 1 20 . 1 1 51 51 GLN N N 51 117.131 117.131 116.992 0.139 19643 6866 1 20 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.288 -0.387 19643 6867 1 20 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.297 1.240 19643 6868 1 20 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.361 -0.663 19643 6869 1 20 . 1 1 52 52 ASP N N 52 118.091 118.091 118.812 -0.721 19643 6870 1 20 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.730 -0.369 19643 6871 1 20 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.233 1.667 19643 6872 1 20 . 1 1 52 52 ASP CB C 52 43.711 43.711 42.104 1.607 19643 6873 1 20 . 1 1 53 53 GLY N N 53 102.763 102.763 107.762 -4.999 19643 6874 1 20 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.600 0.765 19643 6875 1 20 . 1 1 54 54 ARG N N 54 119.861 119.861 115.570 4.291 19643 6876 1 20 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.229 -0.056 19643 6877 1 20 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.354 2.021 19643 6878 1 20 . 1 1 54 54 ARG CB C 54 33.306 33.306 31.320 1.986 19643 6879 1 20 . 1 1 55 55 LEU N N 55 120.459 120.459 123.332 -2.873 19643 6880 1 20 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.157 -0.389 19643 6881 1 20 . 1 1 55 55 LEU CA C 55 55.238 55.238 55.357 -0.119 19643 6882 1 20 . 1 1 55 55 LEU CB C 55 43.340 43.340 42.571 0.770 19643 6883 1 20 . 1 1 56 56 ARG N N 56 122.213 122.213 125.789 -3.576 19643 6884 1 20 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.472 -0.032 19643 6885 1 20 . 1 1 56 56 ARG CA C 56 53.209 53.209 55.199 -1.990 19643 6886 1 20 . 1 1 56 56 ARG CB C 56 32.830 32.830 31.899 0.931 19643 6887 1 20 . 1 1 57 57 VAL N N 57 120.461 120.461 122.114 -1.653 19643 6888 1 20 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.799 -0.647 19643 6889 1 20 . 1 1 57 57 VAL CA C 57 65.524 65.524 64.867 0.657 19643 6890 1 20 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.968 -0.807 19643 6891 1 20 . 1 1 58 58 ASN N N 58 120.800 120.800 114.531 6.269 19643 6892 1 20 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.754 -0.464 19643 6893 1 20 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.431 2.917 19643 6894 1 20 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.046 -1.053 19643 6895 1 20 . 1 1 59 59 ASP N N 59 122.628 122.628 119.263 3.365 19643 6896 1 20 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.629 -0.076 19643 6897 1 20 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.994 0.417 19643 6898 1 20 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.079 -1.379 19643 6899 1 20 . 1 1 60 60 SER N N 60 115.152 115.152 112.325 2.827 19643 6900 1 20 . 1 1 60 60 SER HA H 60 5.391 5.391 4.149 1.242 19643 6901 1 20 . 1 1 60 60 SER CA C 60 55.105 55.105 58.542 -3.437 19643 6902 1 20 . 1 1 60 60 SER CB C 60 65.259 65.259 63.476 1.783 19643 6903 1 20 . 1 1 61 61 ILE N N 61 123.216 123.216 122.728 0.488 19643 6904 1 20 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.240 -0.332 19643 6905 1 20 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.713 -0.249 19643 6906 1 20 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.072 1.006 19643 6907 1 20 . 1 1 62 62 LEU N N 62 126.711 126.711 123.880 2.831 19643 6908 1 20 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.646 -0.446 19643 6909 1 20 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.070 0.577 19643 6910 1 20 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.407 -0.277 19643 6911 1 20 . 1 1 63 63 PHE N N 63 111.486 111.486 117.773 -6.287 19643 6912 1 20 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.323 0.120 19643 6913 1 20 . 1 1 63 63 PHE CA C 63 56.125 56.125 57.192 -1.067 19643 6914 1 20 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.435 1.800 19643 6915 1 20 . 1 1 64 64 VAL N N 64 120.758 120.758 122.173 -1.415 19643 6916 1 20 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.562 -0.253 19643 6917 1 20 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.713 -0.149 19643 6918 1 20 . 1 1 64 64 VAL CB C 64 33.036 33.036 34.529 -1.493 19643 6919 1 20 . 1 1 65 65 ASN N N 65 126.150 126.150 126.574 -0.424 19643 6920 1 20 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.392 -0.167 19643 6921 1 20 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.120 0.925 19643 6922 1 20 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.509 -2.261 19643 6923 1 20 . 1 1 67 67 VAL N N 67 124.346 124.346 116.780 7.566 19643 6924 1 20 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.538 -0.721 19643 6925 1 20 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.898 2.545 19643 6926 1 20 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.468 -1.423 19643 6927 1 20 . 1 1 68 68 ASP N N 68 127.980 127.980 122.305 5.675 19643 6928 1 20 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.288 -0.317 19643 6929 1 20 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.799 -0.714 19643 6930 1 20 . 1 1 68 68 ASP CB C 68 41.169 41.169 39.180 1.989 19643 6931 1 20 . 1 1 69 69 VAL N N 69 120.432 120.432 116.512 3.920 19643 6932 1 20 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.101 0.536 19643 6933 1 20 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.953 -3.968 19643 6934 1 20 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.256 -2.363 19643 6935 1 20 . 1 1 70 70 ARG N N 70 122.630 122.630 119.294 3.336 19643 6936 1 20 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.974 0.159 19643 6937 1 20 . 1 1 70 70 ARG CA C 70 59.768 59.768 57.907 1.861 19643 6938 1 20 . 1 1 70 70 ARG CB C 70 30.571 30.571 29.924 0.647 19643 6939 1 20 . 1 1 71 71 GLU N N 71 120.164 120.164 119.523 0.641 19643 6940 1 20 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.419 -0.126 19643 6941 1 20 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.980 -1.326 19643 6942 1 20 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.452 -0.122 19643 6943 1 20 . 1 1 72 72 VAL N N 72 118.241 118.241 118.736 -0.495 19643 6944 1 20 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.602 0.202 19643 6945 1 20 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.892 -1.544 19643 6946 1 20 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.345 0.642 19643 6947 1 20 . 1 1 73 73 THR N N 73 109.907 109.907 109.606 0.301 19643 6948 1 20 . 1 1 73 73 THR HA H 73 4.311 4.311 4.640 -0.329 19643 6949 1 20 . 1 1 73 73 THR CA C 73 61.446 61.446 60.251 1.195 19643 6950 1 20 . 1 1 73 73 THR CB C 73 70.324 70.324 70.404 -0.080 19643 6951 1 20 . 1 1 74 74 HIS N N 74 122.235 122.235 120.245 1.990 19643 6952 1 20 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.194 -0.312 19643 6953 1 20 . 1 1 74 74 HIS CA C 74 61.669 61.669 59.727 1.942 19643 6954 1 20 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.056 -0.533 19643 6955 1 20 . 1 1 75 75 SER N N 75 111.076 111.076 115.203 -4.127 19643 6956 1 20 . 1 1 75 75 SER HA H 75 3.962 3.962 4.102 -0.140 19643 6957 1 20 . 1 1 75 75 SER CA C 75 61.889 61.889 61.210 0.679 19643 6958 1 20 . 1 1 75 75 SER CB C 75 62.708 62.708 62.115 0.593 19643 6959 1 20 . 1 1 76 76 ALA N N 76 125.241 125.241 122.539 2.702 19643 6960 1 20 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.256 -0.192 19643 6961 1 20 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.868 1.128 19643 6962 1 20 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.067 0.295 19643 6963 1 20 . 1 1 77 77 ALA N N 77 123.063 123.063 120.031 3.032 19643 6964 1 20 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.401 -0.601 19643 6965 1 20 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.808 1.676 19643 6966 1 20 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.471 -1.489 19643 6967 1 20 . 1 1 78 78 VAL N N 78 117.348 117.348 118.411 -1.063 19643 6968 1 20 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.769 -0.653 19643 6969 1 20 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.287 1.008 19643 6970 1 20 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.782 -0.086 19643 6971 1 20 . 1 1 79 79 GLU N N 79 119.021 119.021 119.218 -0.197 19643 6972 1 20 . 1 1 79 79 GLU HA H 79 3.872 3.872 4.023 -0.151 19643 6973 1 20 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.294 -0.054 19643 6974 1 20 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.130 -0.041 19643 6975 1 20 . 1 1 80 80 ALA N N 80 120.115 120.115 119.842 0.273 19643 6976 1 20 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.434 -0.466 19643 6977 1 20 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.239 0.474 19643 6978 1 20 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.704 -1.648 19643 6979 1 20 . 1 1 81 81 LEU N N 81 116.561 116.561 117.026 -0.465 19643 6980 1 20 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.237 -0.436 19643 6981 1 20 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.818 1.477 19643 6982 1 20 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.394 -0.772 19643 6983 1 20 . 1 1 82 82 LYS N N 82 121.600 121.600 117.669 3.931 19643 6984 1 20 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.105 -0.141 19643 6985 1 20 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.626 1.224 19643 6986 1 20 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.616 0.246 19643 6987 1 20 . 1 1 83 83 GLU N N 83 115.395 115.395 118.530 -3.135 19643 6988 1 20 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.125 0.184 19643 6989 1 20 . 1 1 83 83 GLU CA C 83 56.126 56.126 58.598 -2.472 19643 6990 1 20 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.084 -0.230 19643 6991 1 20 . 1 1 84 84 ALA N N 84 119.693 119.693 121.412 -1.719 19643 6992 1 20 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.216 -0.101 19643 6993 1 20 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.361 0.035 19643 6994 1 20 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.619 1.907 19643 6995 1 20 . 1 1 85 85 GLY N N 85 104.439 104.439 105.071 -0.632 19643 6996 1 20 . 1 1 85 85 GLY CA C 85 43.766 43.766 46.296 -2.530 19643 6997 1 20 . 1 1 86 86 SER N N 86 115.110 115.110 114.254 0.856 19643 6998 1 20 . 1 1 86 86 SER HA H 86 4.129 4.129 4.595 -0.466 19643 6999 1 20 . 1 1 86 86 SER CA C 86 61.282 61.282 58.696 2.586 19643 7000 1 20 . 1 1 86 86 SER CB C 86 63.430 63.430 64.251 -0.821 19643 7001 1 20 . 1 1 87 87 ILE N N 87 120.535 120.535 123.389 -2.854 19643 7002 1 20 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.774 -0.131 19643 7003 1 20 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.383 0.571 19643 7004 1 20 . 1 1 87 87 ILE CB C 87 38.233 38.233 38.151 0.082 19643 7005 1 20 . 1 1 88 88 VAL N N 88 127.851 127.851 127.473 0.378 19643 7006 1 20 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.381 -0.123 19643 7007 1 20 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.594 1.140 19643 7008 1 20 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.426 -0.212 19643 7009 1 20 . 1 1 89 89 ARG N N 89 127.712 127.712 128.584 -0.872 19643 7010 1 20 . 1 1 89 89 ARG HA H 89 4.791 4.791 5.021 -0.230 19643 7011 1 20 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.445 0.331 19643 7012 1 20 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.563 0.239 19643 7013 1 20 . 1 1 90 90 LEU N N 90 127.483 127.483 122.104 5.379 19643 7014 1 20 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.041 0.090 19643 7015 1 20 . 1 1 90 90 LEU CA C 90 52.914 52.914 52.971 -0.057 19643 7016 1 20 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.261 0.846 19643 7017 1 20 . 1 1 91 91 TYR N N 91 125.830 125.830 124.845 0.985 19643 7018 1 20 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.247 0.102 19643 7019 1 20 . 1 1 91 91 TYR CA C 91 56.951 56.951 56.075 0.876 19643 7020 1 20 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.225 0.021 19643 7021 1 20 . 1 1 92 92 VAL N N 92 121.091 121.091 121.919 -0.828 19643 7022 1 20 . 1 1 92 92 VAL HA H 92 5.474 5.474 5.050 0.424 19643 7023 1 20 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.726 -0.314 19643 7024 1 20 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.030 0.327 19643 7025 1 20 . 1 1 93 93 MET N N 93 118.712 118.712 120.169 -1.457 19643 7026 1 20 . 1 1 93 93 MET HA H 93 5.103 5.103 4.711 0.392 19643 7027 1 20 . 1 1 93 93 MET CA C 93 53.151 53.151 54.305 -1.154 19643 7028 1 20 . 1 1 93 93 MET CB C 93 36.981 36.981 34.447 2.534 19643 7029 1 20 . 1 1 94 94 ARG N N 94 122.359 122.359 122.406 -0.047 19643 7030 1 20 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.689 0.151 19643 7031 1 20 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.115 -0.110 19643 7032 1 20 . 1 1 94 94 ARG CB C 94 34.135 34.135 34.391 -0.256 19643 7033 1 20 . 1 1 95 95 ARG N N 95 120.747 120.747 121.543 -0.796 19643 7034 1 20 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.668 -0.052 19643 7035 1 20 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.362 0.186 19643 7036 1 20 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.866 -1.056 19643 7037 1 20 . 1 1 96 96 LYS N N 96 125.436 125.436 123.625 1.811 19643 7038 1 20 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.577 -0.213 19643 7039 1 20 . 1 1 96 96 LYS CA C 96 54.511 54.511 54.648 -0.137 19643 7040 1 20 . 1 1 96 96 LYS CB C 96 32.775 32.775 32.478 0.297 19643 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 90 2.880 -0.246 2.885 19643 2 1 1 "Average Difference" HA 94 0.417 0.072 0.413 19643 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19643 4 1 1 "Average Difference" CA 94 1.400 -0.129 1.402 19643 5 1 1 "Average Difference" CB 84 1.371 -0.026 1.379 19643 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19643 7 1 2 "Average Difference" N 90 3.120 -0.250 3.128 19643 8 1 2 "Average Difference" HA 94 0.404 0.103 0.393 19643 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19643 10 1 2 "Average Difference" CA 94 1.417 -0.130 1.418 19643 11 1 2 "Average Difference" CB 84 1.327 -0.047 1.334 19643 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19643 13 1 3 "Average Difference" N 90 2.806 -0.224 2.813 19643 14 1 3 "Average Difference" HA 94 0.401 0.075 0.396 19643 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19643 16 1 3 "Average Difference" CA 94 1.379 -0.154 1.377 19643 17 1 3 "Average Difference" CB 84 1.387 -0.020 1.395 19643 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19643 19 1 4 "Average Difference" N 90 2.842 -0.459 2.820 19643 20 1 4 "Average Difference" HA 94 0.391 0.076 0.386 19643 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19643 22 1 4 "Average Difference" CA 94 1.344 -0.118 1.346 19643 23 1 4 "Average Difference" CB 84 1.281 -0.064 1.287 19643 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19643 25 1 5 "Average Difference" N 90 2.934 -0.015 2.950 19643 26 1 5 "Average Difference" HA 94 0.414 0.087 0.407 19643 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19643 28 1 5 "Average Difference" CA 94 1.458 -0.160 1.457 19643 29 1 5 "Average Difference" CB 84 1.387 -0.062 1.394 19643 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19643 31 1 6 "Average Difference" N 90 3.104 -0.319 3.105 19643 32 1 6 "Average Difference" HA 94 0.415 0.094 0.406 19643 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19643 34 1 6 "Average Difference" CA 94 1.454 -0.177 1.451 19643 35 1 6 "Average Difference" CB 84 1.430 -0.009 1.438 19643 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19643 37 1 7 "Average Difference" N 90 3.029 -0.390 3.020 19643 38 1 7 "Average Difference" HA 94 0.400 0.068 0.396 19643 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19643 40 1 7 "Average Difference" CA 94 1.390 -0.082 1.395 19643 41 1 7 "Average Difference" CB 84 1.312 -0.116 1.314 19643 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19643 43 1 8 "Average Difference" N 90 2.798 -0.384 2.787 19643 44 1 8 "Average Difference" HA 94 0.401 0.069 0.397 19643 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19643 46 1 8 "Average Difference" CA 94 1.320 -0.121 1.322 19643 47 1 8 "Average Difference" CB 84 1.405 -0.032 1.413 19643 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19643 49 1 9 "Average Difference" N 90 2.890 -0.576 2.848 19643 50 1 9 "Average Difference" HA 94 0.420 0.083 0.414 19643 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19643 52 1 9 "Average Difference" CA 94 1.439 -0.152 1.439 19643 53 1 9 "Average Difference" CB 84 1.375 -0.065 1.382 19643 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19643 55 1 10 "Average Difference" N 90 3.097 -0.256 3.103 19643 56 1 10 "Average Difference" HA 94 0.420 0.083 0.414 19643 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19643 58 1 10 "Average Difference" CA 94 1.456 -0.165 1.454 19643 59 1 10 "Average Difference" CB 84 1.341 -0.079 1.347 19643 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19643 61 1 11 "Average Difference" N 90 2.895 -0.232 2.902 19643 62 1 11 "Average Difference" HA 94 0.400 0.071 0.395 19643 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19643 64 1 11 "Average Difference" CA 94 1.426 -0.150 1.426 19643 65 1 11 "Average Difference" CB 84 1.451 -0.108 1.455 19643 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19643 67 1 12 "Average Difference" N 90 2.914 -0.390 2.904 19643 68 1 12 "Average Difference" HA 94 0.396 0.084 0.389 19643 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19643 70 1 12 "Average Difference" CA 94 1.397 -0.136 1.398 19643 71 1 12 "Average Difference" CB 84 1.356 -0.041 1.364 19643 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19643 73 1 13 "Average Difference" N 90 2.746 -0.282 2.747 19643 74 1 13 "Average Difference" HA 94 0.395 0.054 0.394 19643 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19643 76 1 13 "Average Difference" CA 94 1.342 -0.077 1.347 19643 77 1 13 "Average Difference" CB 84 1.352 -0.118 1.355 19643 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19643 79 1 14 "Average Difference" N 90 2.916 -0.085 2.931 19643 80 1 14 "Average Difference" HA 94 0.406 0.071 0.402 19643 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19643 82 1 14 "Average Difference" CA 94 1.401 -0.053 1.408 19643 83 1 14 "Average Difference" CB 84 1.442 -0.103 1.447 19643 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19643 85 1 15 "Average Difference" N 90 3.072 -0.253 3.079 19643 86 1 15 "Average Difference" HA 94 0.398 0.077 0.393 19643 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19643 88 1 15 "Average Difference" CA 94 1.445 -0.144 1.446 19643 89 1 15 "Average Difference" CB 84 1.412 -0.042 1.420 19643 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19643 91 1 16 "Average Difference" N 90 3.216 -0.261 3.223 19643 92 1 16 "Average Difference" HA 94 0.413 0.070 0.409 19643 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19643 94 1 16 "Average Difference" CA 94 1.400 -0.087 1.405 19643 95 1 16 "Average Difference" CB 84 1.395 -0.081 1.401 19643 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19643 97 1 17 "Average Difference" N 90 2.964 -0.237 2.971 19643 98 1 17 "Average Difference" HA 94 0.402 0.063 0.399 19643 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19643 100 1 17 "Average Difference" CA 94 1.420 -0.098 1.424 19643 101 1 17 "Average Difference" CB 84 1.491 -0.105 1.497 19643 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19643 103 1 18 "Average Difference" N 90 3.108 -0.423 3.097 19643 104 1 18 "Average Difference" HA 94 0.405 0.091 0.397 19643 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19643 106 1 18 "Average Difference" CA 94 1.391 -0.123 1.393 19643 107 1 18 "Average Difference" CB 84 1.349 -0.114 1.353 19643 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19643 109 1 19 "Average Difference" N 90 3.097 -0.194 3.109 19643 110 1 19 "Average Difference" HA 94 0.400 0.088 0.392 19643 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19643 112 1 19 "Average Difference" CA 94 1.418 -0.095 1.422 19643 113 1 19 "Average Difference" CB 84 1.209 -0.010 1.216 19643 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19643 115 1 20 "Average Difference" N 90 2.950 -0.165 2.961 19643 116 1 20 "Average Difference" HA 94 0.395 0.085 0.388 19643 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19643 118 1 20 "Average Difference" CA 94 1.357 -0.113 1.360 19643 119 1 20 "Average Difference" CB 84 1.280 -0.106 1.283 19643 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 19643 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 19643 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 123.610 123.610 125.837 -2.227 19643 2 1 . 1 1 2 2 ALA HA H 2 4.289 4.289 4.727 -0.438 19643 3 1 . 1 1 2 2 ALA CA C 2 52.690 52.690 51.844 0.846 19643 4 1 . 1 1 2 2 ALA CB C 2 19.373 19.373 19.899 -0.526 19643 5 1 . 1 1 3 3 MET N N 3 119.242 119.242 121.096 -1.854 19643 6 1 . 1 1 3 3 MET HA H 3 4.422 4.422 4.672 -0.250 19643 7 1 . 1 1 3 3 MET CA C 3 55.333 55.333 55.096 0.237 19643 8 1 . 1 1 3 3 MET CB C 3 32.744 32.744 33.474 -0.730 19643 9 1 . 1 1 4 4 GLU N N 4 122.309 122.309 122.424 -0.115 19643 10 1 . 1 1 4 4 GLU HA H 4 4.300 4.300 4.653 -0.353 19643 11 1 . 1 1 4 4 GLU CA C 4 56.406 56.406 55.384 1.022 19643 12 1 . 1 1 4 4 GLU CB C 4 30.722 30.722 31.433 -0.711 19643 13 1 . 1 1 5 5 MET N N 5 120.131 120.131 118.483 1.648 19643 14 1 . 1 1 5 5 MET HA H 5 4.911 4.911 4.634 0.277 19643 15 1 . 1 1 5 5 MET CA C 5 53.780 53.780 55.116 -1.337 19643 16 1 . 1 1 5 5 MET CB C 5 34.203 34.203 33.688 0.515 19643 17 1 . 1 1 6 6 GLU N N 6 121.438 121.438 120.444 0.994 19643 18 1 . 1 1 6 6 GLU HA H 6 4.505 4.505 4.760 -0.255 19643 19 1 . 1 1 6 6 GLU CA C 6 54.355 54.355 55.251 -0.896 19643 20 1 . 1 1 6 6 GLU CB C 6 33.034 33.034 31.298 1.736 19643 21 1 . 1 1 7 7 TYR N N 7 121.043 121.043 123.952 -2.909 19643 22 1 . 1 1 7 7 TYR HA H 7 5.376 5.376 4.963 0.413 19643 23 1 . 1 1 7 7 TYR CA C 7 56.096 56.096 57.330 -1.234 19643 24 1 . 1 1 7 7 TYR CB C 7 41.311 41.311 40.159 1.152 19643 25 1 . 1 1 8 8 GLU N N 8 121.986 121.986 123.458 -1.472 19643 26 1 . 1 1 8 8 GLU HA H 8 4.386 4.386 4.799 -0.413 19643 27 1 . 1 1 8 8 GLU CA C 8 56.085 56.085 54.852 1.233 19643 28 1 . 1 1 8 8 GLU CB C 8 33.910 33.910 33.293 0.617 19643 29 1 . 1 1 9 9 GLU N N 9 125.727 125.727 124.860 0.867 19643 30 1 . 1 1 9 9 GLU HA H 9 5.138 5.138 4.992 0.146 19643 31 1 . 1 1 9 9 GLU CA C 9 54.805 54.805 55.558 -0.753 19643 32 1 . 1 1 9 9 GLU CB C 9 31.112 31.112 30.140 0.972 19643 33 1 . 1 1 10 10 ILE N N 10 130.210 130.210 127.715 2.495 19643 34 1 . 1 1 10 10 ILE HA H 10 3.943 3.943 4.474 -0.531 19643 35 1 . 1 1 10 10 ILE CA C 10 61.192 61.192 60.511 0.681 19643 36 1 . 1 1 10 10 ILE CB C 10 42.613 42.613 40.959 1.654 19643 37 1 . 1 1 11 11 THR N N 11 124.067 124.067 121.027 3.040 19643 38 1 . 1 1 11 11 THR HA H 11 5.212 5.212 4.719 0.493 19643 39 1 . 1 1 11 11 THR CA C 11 61.750 61.750 61.413 0.337 19643 40 1 . 1 1 11 11 THR CB C 11 69.466 69.466 69.722 -0.256 19643 41 1 . 1 1 12 12 LEU N N 12 125.136 125.136 126.380 -1.244 19643 42 1 . 1 1 12 12 LEU HA H 12 4.706 4.706 4.805 -0.099 19643 43 1 . 1 1 12 12 LEU CA C 12 52.502 52.502 53.398 -0.897 19643 44 1 . 1 1 12 12 LEU CB C 12 46.328 46.328 45.612 0.716 19643 45 1 . 1 1 13 13 GLU N N 13 121.986 121.986 121.599 0.387 19643 46 1 . 1 1 13 13 GLU HA H 13 4.907 4.907 4.820 0.087 19643 47 1 . 1 1 13 13 GLU CA C 13 54.265 54.265 55.239 -0.974 19643 48 1 . 1 1 13 13 GLU CB C 13 30.279 30.279 30.636 -0.357 19643 49 1 . 1 1 14 14 ARG N N 14 125.922 125.922 126.770 -0.848 19643 50 1 . 1 1 14 14 ARG HA H 14 3.543 3.543 4.231 -0.688 19643 51 1 . 1 1 14 14 ARG CA C 14 58.078 58.078 56.341 1.737 19643 52 1 . 1 1 14 14 ARG CB C 14 31.572 31.572 30.389 1.183 19643 53 1 . 1 1 15 15 GLY N N 15 113.035 113.035 114.552 -1.517 19643 54 1 . 1 1 15 15 GLY CA C 15 44.108 44.108 44.981 -0.873 19643 55 1 . 1 1 16 16 ASN N N 16 120.641 120.641 118.733 1.908 19643 56 1 . 1 1 16 16 ASN HA H 16 4.402 4.402 4.604 -0.203 19643 57 1 . 1 1 16 16 ASN CA C 16 55.880 55.880 54.682 1.198 19643 58 1 . 1 1 16 16 ASN CB C 16 38.063 38.063 38.604 -0.541 19643 59 1 . 1 1 17 17 SER N N 17 111.943 111.943 114.234 -2.291 19643 60 1 . 1 1 17 17 SER HA H 17 4.598 4.598 4.573 0.025 19643 61 1 . 1 1 17 17 SER CA C 17 56.829 56.829 58.572 -1.743 19643 62 1 . 1 1 17 17 SER CB C 17 63.185 63.185 64.168 -0.983 19643 63 1 . 1 1 18 18 GLY N N 18 108.890 108.890 109.992 -1.102 19643 64 1 . 1 1 18 18 GLY CA C 18 44.643 44.643 44.645 -0.002 19643 65 1 . 1 1 19 19 LEU HA H 19 4.188 4.188 3.973 0.215 19643 66 1 . 1 1 19 19 LEU CA C 19 56.420 56.420 56.315 0.105 19643 67 1 . 1 1 19 19 LEU CB C 19 42.169 42.169 41.125 1.044 19643 68 1 . 1 1 20 20 GLY N N 20 106.101 106.101 108.037 -1.936 19643 69 1 . 1 1 20 20 GLY CA C 20 46.362 46.362 44.857 1.505 19643 70 1 . 1 1 21 21 PHE N N 21 117.144 117.144 116.843 0.301 19643 71 1 . 1 1 21 21 PHE HA H 21 5.146 5.146 5.002 0.144 19643 72 1 . 1 1 21 21 PHE CA C 21 56.321 56.321 55.879 0.442 19643 73 1 . 1 1 21 21 PHE CB C 21 40.716 40.716 40.666 0.050 19643 74 1 . 1 1 22 22 SER N N 22 113.822 113.822 115.396 -1.574 19643 75 1 . 1 1 22 22 SER HA H 22 5.765 5.765 4.676 1.089 19643 76 1 . 1 1 22 22 SER CA C 22 56.474 56.474 57.430 -0.956 19643 77 1 . 1 1 22 22 SER CB C 22 65.095 65.095 65.981 -0.886 19643 78 1 . 1 1 23 23 ILE N N 23 114.674 114.674 119.954 -5.280 19643 79 1 . 1 1 23 23 ILE HA H 23 5.746 5.746 4.641 1.105 19643 80 1 . 1 1 23 23 ILE CA C 23 58.284 58.284 59.369 -1.085 19643 81 1 . 1 1 23 23 ILE CB C 23 42.679 42.679 39.177 3.502 19643 82 1 . 1 1 24 24 ALA N N 24 123.084 123.084 128.789 -5.705 19643 83 1 . 1 1 24 24 ALA HA H 24 5.041 5.041 4.811 0.231 19643 84 1 . 1 1 24 24 ALA CA C 24 49.567 49.567 50.982 -1.415 19643 85 1 . 1 1 24 24 ALA CB C 24 23.764 23.764 20.348 3.416 19643 86 1 . 1 1 25 25 GLY N N 25 106.991 106.991 108.929 -1.938 19643 87 1 . 1 1 25 25 GLY CA C 25 44.904 44.904 45.021 -0.117 19643 88 1 . 1 1 26 26 GLY N N 26 108.474 108.474 105.849 2.625 19643 89 1 . 1 1 26 26 GLY CA C 26 43.533 43.533 45.364 -1.831 19643 90 1 . 1 1 27 27 THR N N 27 113.603 113.603 112.680 0.923 19643 91 1 . 1 1 27 27 THR HA H 27 3.844 3.844 4.436 -0.592 19643 92 1 . 1 1 27 27 THR CA C 27 64.151 64.151 63.485 0.666 19643 93 1 . 1 1 27 27 THR CB C 27 67.979 67.979 69.766 -1.786 19643 94 1 . 1 1 28 28 ASP N N 28 116.979 116.979 120.060 -3.081 19643 95 1 . 1 1 28 28 ASP HA H 28 4.521 4.521 4.677 -0.156 19643 96 1 . 1 1 28 28 ASP CA C 28 51.997 51.997 54.744 -2.747 19643 97 1 . 1 1 28 28 ASP CB C 28 39.198 39.198 41.187 -1.989 19643 98 1 . 1 1 29 29 ASN N N 29 119.889 119.889 120.031 -0.142 19643 99 1 . 1 1 29 29 ASN HA H 29 4.877 4.877 5.145 -0.268 19643 100 1 . 1 1 29 29 ASN CA C 29 52.786 52.786 51.528 1.258 19643 101 1 . 1 1 29 29 ASN CB C 29 41.288 41.288 39.330 1.958 19643 102 1 . 1 1 30 30 PRO HA H 30 4.588 4.588 4.629 -0.040 19643 103 1 . 1 1 30 30 PRO CA C 30 64.383 64.383 62.851 1.532 19643 104 1 . 1 1 30 30 PRO CB C 30 31.725 31.725 32.744 -1.019 19643 105 1 . 1 1 31 31 HIS N N 31 122.889 122.889 119.572 3.317 19643 106 1 . 1 1 31 31 HIS HA H 31 4.706 4.706 4.659 0.047 19643 107 1 . 1 1 31 31 HIS CA C 31 56.079 56.079 57.451 -1.372 19643 108 1 . 1 1 31 31 HIS CB C 31 30.648 30.648 30.826 -0.178 19643 109 1 . 1 1 32 32 ILE N N 32 115.082 115.082 118.210 -3.128 19643 110 1 . 1 1 32 32 ILE HA H 32 3.996 3.996 4.298 -0.302 19643 111 1 . 1 1 32 32 ILE CA C 32 59.065 59.065 61.642 -2.577 19643 112 1 . 1 1 32 32 ILE CB C 32 40.233 40.233 39.089 1.144 19643 113 1 . 1 1 33 33 GLY N N 33 114.196 114.196 109.395 4.801 19643 114 1 . 1 1 33 33 GLY CA C 33 47.208 47.208 45.106 2.102 19643 115 1 . 1 1 34 34 ASP N N 34 124.358 124.358 119.591 4.767 19643 116 1 . 1 1 34 34 ASP HA H 34 4.587 4.587 4.614 -0.027 19643 117 1 . 1 1 34 34 ASP CA C 34 52.616 52.616 54.717 -2.101 19643 118 1 . 1 1 34 34 ASP CB C 34 40.651 40.651 41.214 -0.563 19643 119 1 . 1 1 35 35 ASP N N 35 123.575 123.575 121.570 2.005 19643 120 1 . 1 1 35 35 ASP HA H 35 4.777 4.777 4.893 -0.115 19643 121 1 . 1 1 35 35 ASP CA C 35 51.535 51.535 51.793 -0.258 19643 122 1 . 1 1 35 35 ASP CB C 35 41.908 41.908 42.058 -0.150 19643 123 1 . 1 1 36 36 PRO HA H 36 4.494 4.494 4.649 -0.155 19643 124 1 . 1 1 36 36 PRO CA C 36 63.320 63.320 63.271 0.049 19643 125 1 . 1 1 36 36 PRO CB C 36 32.945 32.945 32.489 0.456 19643 126 1 . 1 1 37 37 SER N N 37 117.452 117.452 114.242 3.210 19643 127 1 . 1 1 37 37 SER HA H 37 4.077 4.077 4.504 -0.427 19643 128 1 . 1 1 37 37 SER CA C 37 60.109 60.109 57.667 2.442 19643 129 1 . 1 1 37 37 SER CB C 37 63.043 63.043 64.313 -1.270 19643 130 1 . 1 1 38 38 ILE N N 38 123.464 123.464 122.554 0.910 19643 131 1 . 1 1 38 38 ILE HA H 38 4.678 4.678 4.530 0.148 19643 132 1 . 1 1 38 38 ILE CA C 38 57.491 57.491 59.148 -1.657 19643 133 1 . 1 1 38 38 ILE CB C 38 34.905 34.905 36.491 -1.586 19643 134 1 . 1 1 39 39 PHE N N 39 124.567 124.567 126.225 -1.658 19643 135 1 . 1 1 39 39 PHE HA H 39 5.342 5.342 4.900 0.442 19643 136 1 . 1 1 39 39 PHE CA C 39 56.573 56.573 55.517 1.056 19643 137 1 . 1 1 39 39 PHE CB C 39 44.095 44.095 43.058 1.037 19643 138 1 . 1 1 40 40 ILE N N 40 119.768 119.768 121.240 -1.472 19643 139 1 . 1 1 40 40 ILE HA H 40 4.601 4.601 4.306 0.295 19643 140 1 . 1 1 40 40 ILE CA C 40 60.296 60.296 60.285 0.011 19643 141 1 . 1 1 40 40 ILE CB C 40 37.033 37.033 37.201 -0.168 19643 142 1 . 1 1 41 41 THR N N 41 118.591 118.591 116.437 2.154 19643 143 1 . 1 1 41 41 THR HA H 41 4.530 4.530 4.385 0.145 19643 144 1 . 1 1 41 41 THR CA C 41 62.101 62.101 62.029 0.072 19643 145 1 . 1 1 41 41 THR CB C 41 68.728 68.728 70.823 -2.095 19643 146 1 . 1 1 42 42 LYS N N 42 121.511 121.511 123.402 -1.891 19643 147 1 . 1 1 42 42 LYS HA H 42 4.273 4.273 4.645 -0.372 19643 148 1 . 1 1 42 42 LYS CA C 42 56.565 56.565 55.272 1.293 19643 149 1 . 1 1 42 42 LYS CB C 42 36.076 36.076 34.345 1.731 19643 150 1 . 1 1 43 43 ILE N N 43 126.187 126.187 124.910 1.277 19643 151 1 . 1 1 43 43 ILE HA H 43 4.290 4.290 4.415 -0.125 19643 152 1 . 1 1 43 43 ILE CA C 43 59.922 59.922 58.251 1.671 19643 153 1 . 1 1 43 43 ILE CB C 43 38.183 38.183 39.494 -1.311 19643 154 1 . 1 1 44 44 ILE N N 44 128.532 128.532 129.395 -0.863 19643 155 1 . 1 1 44 44 ILE HA H 44 4.154 4.154 4.401 -0.247 19643 156 1 . 1 1 44 44 ILE CA C 44 59.019 59.019 58.962 0.057 19643 157 1 . 1 1 44 44 ILE CB C 44 38.216 38.216 37.966 0.251 19643 158 1 . 1 1 45 45 PRO HA H 45 4.181 4.181 4.384 -0.203 19643 159 1 . 1 1 45 45 PRO CA C 45 64.113 64.113 64.439 -0.326 19643 160 1 . 1 1 45 45 PRO CB C 45 31.385 31.385 31.895 -0.510 19643 161 1 . 1 1 46 46 GLY N N 46 111.733 111.733 106.753 4.980 19643 162 1 . 1 1 46 46 GLY CA C 46 45.363 45.363 44.669 0.693 19643 163 1 . 1 1 47 47 GLY N N 47 106.686 106.686 108.732 -2.046 19643 164 1 . 1 1 47 47 GLY CA C 47 44.651 44.651 43.839 0.812 19643 165 1 . 1 1 48 48 ALA N N 48 120.883 120.883 121.886 -1.003 19643 166 1 . 1 1 48 48 ALA HA H 48 4.028 4.028 4.297 -0.269 19643 167 1 . 1 1 48 48 ALA CA C 48 55.583 55.583 54.353 1.230 19643 168 1 . 1 1 48 48 ALA CB C 48 17.954 17.954 19.328 -1.374 19643 169 1 . 1 1 49 49 ALA N N 49 119.457 119.457 120.205 -0.748 19643 170 1 . 1 1 49 49 ALA HA H 49 4.178 4.178 4.160 0.018 19643 171 1 . 1 1 49 49 ALA CA C 49 54.808 54.808 54.539 0.269 19643 172 1 . 1 1 49 49 ALA CB C 49 18.874 18.874 18.187 0.687 19643 173 1 . 1 1 50 50 ALA N N 50 127.017 127.017 119.376 7.641 19643 174 1 . 1 1 50 50 ALA HA H 50 3.913 3.913 4.402 -0.489 19643 175 1 . 1 1 50 50 ALA CA C 50 54.904 54.904 53.656 1.248 19643 176 1 . 1 1 50 50 ALA CB C 50 18.788 18.788 18.751 0.037 19643 177 1 . 1 1 51 51 GLN N N 51 117.131 117.131 117.810 -0.679 19643 178 1 . 1 1 51 51 GLN HA H 51 3.901 3.901 4.299 -0.398 19643 179 1 . 1 1 51 51 GLN CA C 51 58.538 58.538 57.801 0.737 19643 180 1 . 1 1 51 51 GLN CB C 51 28.698 28.698 29.395 -0.697 19643 181 1 . 1 1 52 52 ASP N N 52 118.091 118.091 118.685 -0.594 19643 182 1 . 1 1 52 52 ASP HA H 52 4.361 4.361 4.703 -0.342 19643 183 1 . 1 1 52 52 ASP CA C 52 56.900 56.900 55.357 1.543 19643 184 1 . 1 1 52 52 ASP CB C 52 43.711 43.711 41.613 2.098 19643 185 1 . 1 1 53 53 GLY N N 53 102.763 102.763 107.496 -4.733 19643 186 1 . 1 1 53 53 GLY CA C 53 46.365 46.365 45.297 1.068 19643 187 1 . 1 1 54 54 ARG N N 54 119.861 119.861 117.547 2.314 19643 188 1 . 1 1 54 54 ARG HA H 54 4.173 4.173 4.016 0.157 19643 189 1 . 1 1 54 54 ARG CA C 54 58.375 58.375 56.021 2.354 19643 190 1 . 1 1 54 54 ARG CB C 54 33.306 33.306 28.506 4.800 19643 191 1 . 1 1 55 55 LEU N N 55 120.459 120.459 121.567 -1.109 19643 192 1 . 1 1 55 55 LEU HA H 55 3.768 3.768 4.555 -0.787 19643 193 1 . 1 1 55 55 LEU CA C 55 55.238 55.238 54.227 1.011 19643 194 1 . 1 1 55 55 LEU CB C 55 43.340 43.340 43.845 -0.505 19643 195 1 . 1 1 56 56 ARG N N 56 122.213 122.213 125.243 -3.030 19643 196 1 . 1 1 56 56 ARG HA H 56 4.440 4.440 4.574 -0.134 19643 197 1 . 1 1 56 56 ARG CA C 56 53.209 53.209 54.955 -1.746 19643 198 1 . 1 1 56 56 ARG CB C 56 32.830 32.830 32.022 0.808 19643 199 1 . 1 1 57 57 VAL N N 57 120.461 120.461 121.357 -0.896 19643 200 1 . 1 1 57 57 VAL HA H 57 3.152 3.152 3.738 -0.586 19643 201 1 . 1 1 57 57 VAL CA C 57 65.524 65.524 65.175 0.349 19643 202 1 . 1 1 57 57 VAL CB C 57 31.161 31.161 31.976 -0.815 19643 203 1 . 1 1 58 58 ASN N N 58 120.800 120.800 114.090 6.710 19643 204 1 . 1 1 58 58 ASN HA H 58 4.290 4.290 4.672 -0.382 19643 205 1 . 1 1 58 58 ASN CA C 58 56.348 56.348 53.583 2.765 19643 206 1 . 1 1 58 58 ASN CB C 58 36.993 36.993 38.077 -1.084 19643 207 1 . 1 1 59 59 ASP N N 59 122.628 122.628 119.333 3.295 19643 208 1 . 1 1 59 59 ASP HA H 59 4.553 4.553 4.645 -0.092 19643 209 1 . 1 1 59 59 ASP CA C 59 56.411 56.411 55.911 0.500 19643 210 1 . 1 1 59 59 ASP CB C 59 40.700 40.700 42.044 -1.345 19643 211 1 . 1 1 60 60 SER N N 60 115.152 115.152 112.479 2.673 19643 212 1 . 1 1 60 60 SER HA H 60 5.391 5.391 4.165 1.226 19643 213 1 . 1 1 60 60 SER CA C 60 55.105 55.105 59.019 -3.914 19643 214 1 . 1 1 60 60 SER CB C 60 65.259 65.259 63.444 1.815 19643 215 1 . 1 1 61 61 ILE N N 61 123.216 123.216 123.409 -0.193 19643 216 1 . 1 1 61 61 ILE HA H 61 3.908 3.908 4.217 -0.309 19643 217 1 . 1 1 61 61 ILE CA C 61 61.464 61.464 61.732 -0.268 19643 218 1 . 1 1 61 61 ILE CB C 61 39.078 39.078 38.045 1.033 19643 219 1 . 1 1 62 62 LEU N N 62 126.711 126.711 124.112 2.599 19643 220 1 . 1 1 62 62 LEU HA H 62 4.200 4.200 4.601 -0.401 19643 221 1 . 1 1 62 62 LEU CA C 62 56.647 56.647 56.104 0.543 19643 222 1 . 1 1 62 62 LEU CB C 62 43.130 43.130 43.338 -0.208 19643 223 1 . 1 1 63 63 PHE N N 63 111.486 111.486 117.394 -5.908 19643 224 1 . 1 1 63 63 PHE HA H 63 5.443 5.443 5.202 0.241 19643 225 1 . 1 1 63 63 PHE CA C 63 56.125 56.125 56.962 -0.837 19643 226 1 . 1 1 63 63 PHE CB C 63 44.235 44.235 42.527 1.708 19643 227 1 . 1 1 64 64 VAL N N 64 120.758 120.758 119.533 1.225 19643 228 1 . 1 1 64 64 VAL HA H 64 4.309 4.309 4.712 -0.403 19643 229 1 . 1 1 64 64 VAL CA C 64 60.564 60.564 60.583 -0.019 19643 230 1 . 1 1 64 64 VAL CB C 64 33.036 33.036 33.746 -0.710 19643 231 1 . 1 1 65 65 ASN N N 65 126.150 126.150 124.207 1.943 19643 232 1 . 1 1 65 65 ASN HA H 65 4.225 4.225 4.341 -0.116 19643 233 1 . 1 1 65 65 ASN CA C 65 56.045 56.045 55.930 0.115 19643 234 1 . 1 1 65 65 ASN CB C 65 36.248 36.248 38.029 -1.781 19643 235 1 . 1 1 67 67 VAL N N 67 124.346 124.346 118.021 6.325 19643 236 1 . 1 1 67 67 VAL HA H 67 3.817 3.817 4.553 -0.736 19643 237 1 . 1 1 67 67 VAL CA C 67 63.442 63.442 60.810 2.632 19643 238 1 . 1 1 67 67 VAL CB C 67 32.045 32.045 33.751 -1.706 19643 239 1 . 1 1 68 68 ASP N N 68 127.980 127.980 123.670 4.310 19643 240 1 . 1 1 68 68 ASP HA H 68 3.971 3.971 4.333 -0.362 19643 241 1 . 1 1 68 68 ASP CA C 68 53.085 53.085 53.906 -0.821 19643 242 1 . 1 1 68 68 ASP CB C 68 41.169 41.169 40.141 1.028 19643 243 1 . 1 1 69 69 VAL N N 69 120.432 120.432 119.380 1.052 19643 244 1 . 1 1 69 69 VAL HA H 69 4.637 4.637 4.076 0.561 19643 245 1 . 1 1 69 69 VAL CA C 69 58.985 58.985 62.485 -3.500 19643 246 1 . 1 1 69 69 VAL CB C 69 29.893 29.893 32.344 -2.451 19643 247 1 . 1 1 70 70 ARG N N 70 122.630 122.630 119.458 3.172 19643 248 1 . 1 1 70 70 ARG HA H 70 4.132 4.132 3.929 0.203 19643 249 1 . 1 1 70 70 ARG CA C 70 59.768 59.768 58.182 1.586 19643 250 1 . 1 1 70 70 ARG CB C 70 30.571 30.571 30.041 0.530 19643 251 1 . 1 1 71 71 GLU N N 71 120.164 120.164 118.589 1.575 19643 252 1 . 1 1 71 71 GLU HA H 71 4.293 4.293 4.471 -0.178 19643 253 1 . 1 1 71 71 GLU CA C 71 54.654 54.654 55.823 -1.169 19643 254 1 . 1 1 71 71 GLU CB C 71 30.330 30.330 30.645 -0.315 19643 255 1 . 1 1 72 72 VAL N N 72 118.241 118.241 118.707 -0.466 19643 256 1 . 1 1 72 72 VAL HA H 72 4.804 4.804 4.586 0.218 19643 257 1 . 1 1 72 72 VAL CA C 72 58.348 58.348 59.656 -1.308 19643 258 1 . 1 1 72 72 VAL CB C 72 35.987 35.987 35.280 0.707 19643 259 1 . 1 1 73 73 THR N N 73 109.907 109.907 110.381 -0.474 19643 260 1 . 1 1 73 73 THR HA H 73 4.311 4.311 4.594 -0.283 19643 261 1 . 1 1 73 73 THR CA C 73 61.446 61.446 60.891 0.555 19643 262 1 . 1 1 73 73 THR CB C 73 70.324 70.324 70.497 -0.173 19643 263 1 . 1 1 74 74 HIS N N 74 122.235 122.235 120.647 1.588 19643 264 1 . 1 1 74 74 HIS HA H 74 3.882 3.882 4.172 -0.290 19643 265 1 . 1 1 74 74 HIS CA C 74 61.669 61.669 60.107 1.562 19643 266 1 . 1 1 74 74 HIS CB C 74 28.523 28.523 29.270 -0.747 19643 267 1 . 1 1 75 75 SER N N 75 111.076 111.076 115.153 -4.077 19643 268 1 . 1 1 75 75 SER HA H 75 3.962 3.962 4.126 -0.164 19643 269 1 . 1 1 75 75 SER CA C 75 61.889 61.889 60.982 0.907 19643 270 1 . 1 1 75 75 SER CB C 75 62.708 62.708 62.505 0.203 19643 271 1 . 1 1 76 76 ALA N N 76 125.241 125.241 121.912 3.329 19643 272 1 . 1 1 76 76 ALA HA H 76 4.064 4.064 4.219 -0.155 19643 273 1 . 1 1 76 76 ALA CA C 76 54.996 54.996 53.830 1.166 19643 274 1 . 1 1 76 76 ALA CB C 76 18.362 18.362 18.397 -0.035 19643 275 1 . 1 1 77 77 ALA N N 77 123.063 123.063 120.328 2.735 19643 276 1 . 1 1 77 77 ALA HA H 77 3.800 3.800 4.366 -0.566 19643 277 1 . 1 1 77 77 ALA CA C 77 55.484 55.484 53.808 1.676 19643 278 1 . 1 1 77 77 ALA CB C 77 17.982 17.982 19.343 -1.361 19643 279 1 . 1 1 78 78 VAL N N 78 117.348 117.348 118.447 -1.099 19643 280 1 . 1 1 78 78 VAL HA H 78 3.116 3.116 3.701 -0.585 19643 281 1 . 1 1 78 78 VAL CA C 78 67.295 67.295 66.100 1.195 19643 282 1 . 1 1 78 78 VAL CB C 78 31.696 31.696 31.703 -0.007 19643 283 1 . 1 1 79 79 GLU N N 79 119.021 119.021 119.589 -0.568 19643 284 1 . 1 1 79 79 GLU HA H 79 3.872 3.872 3.998 -0.126 19643 285 1 . 1 1 79 79 GLU CA C 79 59.240 59.240 59.308 -0.068 19643 286 1 . 1 1 79 79 GLU CB C 79 29.089 29.089 29.221 -0.132 19643 287 1 . 1 1 80 80 ALA N N 80 120.115 120.115 120.461 -0.346 19643 288 1 . 1 1 80 80 ALA HA H 80 3.968 3.968 4.274 -0.306 19643 289 1 . 1 1 80 80 ALA CA C 80 54.713 54.713 54.220 0.493 19643 290 1 . 1 1 80 80 ALA CB C 80 17.056 17.056 18.659 -1.603 19643 291 1 . 1 1 81 81 LEU N N 81 116.561 116.561 116.597 -0.036 19643 292 1 . 1 1 81 81 LEU HA H 81 3.801 3.801 4.280 -0.479 19643 293 1 . 1 1 81 81 LEU CA C 81 58.295 58.295 56.577 1.718 19643 294 1 . 1 1 81 81 LEU CB C 81 41.622 41.622 42.315 -0.694 19643 295 1 . 1 1 82 82 LYS N N 82 121.600 121.600 117.650 3.950 19643 296 1 . 1 1 82 82 LYS HA H 82 3.964 3.964 4.198 -0.234 19643 297 1 . 1 1 82 82 LYS CA C 82 59.850 59.850 58.488 1.362 19643 298 1 . 1 1 82 82 LYS CB C 82 32.862 32.862 32.935 -0.073 19643 299 1 . 1 1 83 83 GLU N N 83 115.395 115.395 118.307 -2.912 19643 300 1 . 1 1 83 83 GLU HA H 83 4.309 4.309 4.234 0.075 19643 301 1 . 1 1 83 83 GLU CA C 83 56.126 56.126 57.567 -1.441 19643 302 1 . 1 1 83 83 GLU CB C 83 28.854 28.854 29.581 -0.727 19643 303 1 . 1 1 84 84 ALA N N 84 119.693 119.693 121.548 -1.855 19643 304 1 . 1 1 84 84 ALA HA H 84 4.115 4.115 4.219 -0.104 19643 305 1 . 1 1 84 84 ALA CA C 84 53.396 53.396 53.421 -0.025 19643 306 1 . 1 1 84 84 ALA CB C 84 20.526 20.526 18.717 1.809 19643 307 1 . 1 1 85 85 GLY N N 85 104.439 104.439 105.518 -1.079 19643 308 1 . 1 1 85 85 GLY CA C 85 43.766 43.766 45.772 -2.006 19643 309 1 . 1 1 86 86 SER N N 86 115.110 115.110 113.718 1.392 19643 310 1 . 1 1 86 86 SER HA H 86 4.129 4.129 4.591 -0.462 19643 311 1 . 1 1 86 86 SER CA C 86 61.282 61.282 58.838 2.444 19643 312 1 . 1 1 86 86 SER CB C 86 63.430 63.430 64.499 -1.069 19643 313 1 . 1 1 87 87 ILE N N 87 120.535 120.535 123.628 -3.093 19643 314 1 . 1 1 87 87 ILE HA H 87 4.643 4.643 4.832 -0.189 19643 315 1 . 1 1 87 87 ILE CA C 87 59.954 59.954 59.326 0.628 19643 316 1 . 1 1 87 87 ILE CB C 87 38.233 38.233 39.143 -0.911 19643 317 1 . 1 1 88 88 VAL N N 88 127.851 127.851 124.210 3.641 19643 318 1 . 1 1 88 88 VAL HA H 88 4.258 4.258 4.597 -0.339 19643 319 1 . 1 1 88 88 VAL CA C 88 61.734 61.734 60.421 1.313 19643 320 1 . 1 1 88 88 VAL CB C 88 34.214 34.214 34.528 -0.314 19643 321 1 . 1 1 89 89 ARG N N 89 127.712 127.712 126.846 0.866 19643 322 1 . 1 1 89 89 ARG HA H 89 4.791 4.791 4.971 -0.180 19643 323 1 . 1 1 89 89 ARG CA C 89 54.776 54.776 54.505 0.271 19643 324 1 . 1 1 89 89 ARG CB C 89 30.802 30.802 30.946 -0.144 19643 325 1 . 1 1 90 90 LEU N N 90 127.483 127.483 122.065 5.418 19643 326 1 . 1 1 90 90 LEU HA H 90 5.131 5.131 5.004 0.127 19643 327 1 . 1 1 90 90 LEU CA C 90 52.914 52.914 53.511 -0.597 19643 328 1 . 1 1 90 90 LEU CB C 90 44.107 44.107 43.747 0.360 19643 329 1 . 1 1 91 91 TYR N N 91 125.830 125.830 125.066 0.764 19643 330 1 . 1 1 91 91 TYR HA H 91 5.349 5.349 5.326 0.023 19643 331 1 . 1 1 91 91 TYR CA C 91 56.951 56.951 55.846 1.105 19643 332 1 . 1 1 91 91 TYR CB C 91 40.246 40.246 40.508 -0.262 19643 333 1 . 1 1 92 92 VAL N N 92 121.091 121.091 122.032 -0.941 19643 334 1 . 1 1 92 92 VAL HA H 92 5.474 5.474 4.993 0.481 19643 335 1 . 1 1 92 92 VAL CA C 92 58.412 58.412 58.828 -0.416 19643 336 1 . 1 1 92 92 VAL CB C 92 35.357 35.357 35.167 0.190 19643 337 1 . 1 1 93 93 MET N N 93 118.712 118.712 119.705 -0.993 19643 338 1 . 1 1 93 93 MET HA H 93 5.103 5.103 4.708 0.395 19643 339 1 . 1 1 93 93 MET CA C 93 53.151 53.151 54.485 -1.334 19643 340 1 . 1 1 93 93 MET CB C 93 36.981 36.981 34.387 2.594 19643 341 1 . 1 1 94 94 ARG N N 94 122.359 122.359 123.120 -0.761 19643 342 1 . 1 1 94 94 ARG HA H 94 4.840 4.840 4.717 0.123 19643 343 1 . 1 1 94 94 ARG CA C 94 54.005 54.005 54.292 -0.287 19643 344 1 . 1 1 94 94 ARG CB C 94 34.135 34.135 33.741 0.394 19643 345 1 . 1 1 95 95 ARG N N 95 120.747 120.747 123.455 -2.708 19643 346 1 . 1 1 95 95 ARG HA H 95 4.616 4.616 4.333 0.283 19643 347 1 . 1 1 95 95 ARG CA C 95 55.548 55.548 55.658 -0.110 19643 348 1 . 1 1 95 95 ARG CB C 95 30.811 30.811 31.210 -0.399 19643 349 1 . 1 1 96 96 LYS N N 96 125.436 125.436 124.596 0.840 19643 350 1 . 1 1 96 96 LYS HA H 96 4.364 4.364 4.383 -0.019 19643 351 1 . 1 1 96 96 LYS CA C 96 54.511 54.511 55.309 -0.798 19643 352 1 . 1 1 96 96 LYS CB C 96 32.775 32.775 31.788 0.987 19643 stop_ save_