data_19879 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19879 _Entry.PDB_ID 2MN4 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 19879 _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 THR N N 2 116.344 116.344 114.694 1.650 19879 2 1 1 . 1 1 2 2 THR HA H 2 4.607 4.607 4.751 -0.144 19879 3 1 1 . 1 1 2 2 THR CA C 2 59.469 59.469 59.507 -0.038 19879 4 1 1 . 1 1 2 2 THR CB C 2 67.629 67.629 69.662 -2.033 19879 5 1 1 . 1 1 2 2 THR H H 2 8.950 8.950 8.072 0.878 19879 6 1 1 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.265 -0.090 19879 7 1 1 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.697 0.486 19879 8 1 1 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.203 -1.237 19879 9 1 1 . 1 1 4 4 GLU N N 4 116.437 116.437 117.459 -1.022 19879 10 1 1 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.233 -0.217 19879 11 1 1 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.468 0.359 19879 12 1 1 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.216 -0.952 19879 13 1 1 . 1 1 4 4 GLU H H 4 8.943 8.943 8.659 0.284 19879 14 1 1 . 1 1 5 5 GLN N N 5 120.183 120.183 117.156 3.027 19879 15 1 1 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.222 -0.478 19879 16 1 1 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.727 0.372 19879 17 1 1 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.707 -0.866 19879 18 1 1 . 1 1 5 5 GLN H H 5 7.708 7.708 8.313 -0.605 19879 19 1 1 . 1 1 6 6 ARG N N 6 119.108 119.108 118.436 0.672 19879 20 1 1 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.204 -0.114 19879 21 1 1 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.676 0.283 19879 22 1 1 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.097 -0.918 19879 23 1 1 . 1 1 6 6 ARG H H 6 8.391 8.391 7.930 0.461 19879 24 1 1 . 1 1 7 7 GLU N N 7 116.726 116.726 117.120 -0.394 19879 25 1 1 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.168 -0.073 19879 26 1 1 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.891 -0.537 19879 27 1 1 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.143 -1.002 19879 28 1 1 . 1 1 7 7 GLU H H 7 8.000 8.000 7.997 0.003 19879 29 1 1 . 1 1 8 8 PHE N N 8 119.217 119.217 117.119 2.098 19879 30 1 1 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.551 0.109 19879 31 1 1 . 1 1 8 8 PHE CA C 8 58.055 58.055 60.028 -1.973 19879 32 1 1 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.686 0.050 19879 33 1 1 . 1 1 8 8 PHE H H 8 7.706 7.706 7.551 0.155 19879 34 1 1 . 1 1 9 9 LEU N N 9 119.532 119.532 121.664 -2.132 19879 35 1 1 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.129 -0.137 19879 36 1 1 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.732 -2.106 19879 37 1 1 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.651 -0.357 19879 38 1 1 . 1 1 9 9 LEU H H 9 7.840 7.840 8.281 -0.441 19879 39 1 1 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.297 -0.192 19879 40 1 1 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.099 0.583 19879 41 1 1 . 1 1 10 10 PRO CB C 10 30.489 30.489 30.988 -0.499 19879 42 1 1 . 1 1 11 11 GLU N N 11 116.603 116.603 116.920 -0.317 19879 43 1 1 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.250 -0.271 19879 44 1 1 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.621 -0.283 19879 45 1 1 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.784 -1.420 19879 46 1 1 . 1 1 11 11 GLU H H 11 8.019 8.019 7.668 0.351 19879 47 1 1 . 1 1 12 12 ILE N N 12 120.060 120.060 117.423 2.637 19879 48 1 1 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.029 -0.707 19879 49 1 1 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.041 1.484 19879 50 1 1 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.590 -0.472 19879 51 1 1 . 1 1 12 12 ILE H H 12 7.398 7.398 7.437 -0.039 19879 52 1 1 . 1 1 13 13 LEU N N 13 117.822 117.822 120.754 -2.932 19879 53 1 1 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.809 -0.108 19879 54 1 1 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.080 -0.721 19879 55 1 1 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.916 -1.384 19879 56 1 1 . 1 1 13 13 LEU H H 13 7.492 7.492 7.759 -0.267 19879 57 1 1 . 1 1 14 14 ALA N N 14 118.447 118.447 119.497 -1.050 19879 58 1 1 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.975 -0.024 19879 59 1 1 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.976 -0.811 19879 60 1 1 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.116 -0.880 19879 61 1 1 . 1 1 14 14 ALA H H 14 8.038 8.038 7.841 0.197 19879 62 1 1 . 1 1 15 15 GLU N N 15 117.320 117.320 116.482 0.838 19879 63 1 1 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.194 -0.102 19879 64 1 1 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.917 -0.425 19879 65 1 1 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.712 -1.265 19879 66 1 1 . 1 1 15 15 GLU H H 15 7.085 7.085 7.888 -0.803 19879 67 1 1 . 1 1 16 16 ILE N N 16 116.223 116.223 118.635 -2.412 19879 68 1 1 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.057 -0.449 19879 69 1 1 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.698 1.322 19879 70 1 1 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.042 -1.320 19879 71 1 1 . 1 1 16 16 ILE H H 16 7.331 7.331 7.350 -0.019 19879 72 1 1 . 1 1 17 17 ILE N N 17 116.602 116.602 119.878 -3.276 19879 73 1 1 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.763 -0.115 19879 74 1 1 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.731 -1.452 19879 75 1 1 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.933 -0.474 19879 76 1 1 . 1 1 17 17 ILE H H 17 8.214 8.214 7.496 0.718 19879 77 1 1 . 1 1 18 18 ALA N N 18 119.329 119.329 120.471 -1.142 19879 78 1 1 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.324 -0.144 19879 79 1 1 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.421 0.315 19879 80 1 1 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.156 -0.582 19879 81 1 1 . 1 1 18 18 ALA H H 18 8.056 8.056 7.950 0.106 19879 82 1 1 . 1 1 19 19 ASN N N 19 110.910 110.910 115.756 -4.846 19879 83 1 1 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.854 0.168 19879 84 1 1 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.875 0.715 19879 85 1 1 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.961 1.133 19879 86 1 1 . 1 1 19 19 ASN H H 19 7.295 7.295 7.757 -0.462 19879 87 1 1 . 1 1 20 20 LEU N N 20 119.881 119.881 120.968 -1.087 19879 88 1 1 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.573 0.150 19879 89 1 1 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.653 -1.166 19879 90 1 1 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.788 -0.979 19879 91 1 1 . 1 1 20 20 LEU H H 20 8.134 8.134 7.307 0.827 19879 92 1 1 . 1 1 21 21 ASP N N 21 119.289 119.289 124.048 -4.759 19879 93 1 1 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.051 0.064 19879 94 1 1 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.861 -2.288 19879 95 1 1 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.169 -0.917 19879 96 1 1 . 1 1 21 21 ASP H H 21 8.081 8.081 8.401 -0.320 19879 97 1 1 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.162 -0.226 19879 98 1 1 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.861 -0.510 19879 99 1 1 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.776 -0.249 19879 100 1 1 . 1 1 23 23 THR N N 23 109.956 109.956 110.488 -0.532 19879 101 1 1 . 1 1 23 23 THR HA H 23 3.770 3.770 4.107 -0.337 19879 102 1 1 . 1 1 23 23 THR CA C 23 65.649 65.649 65.785 -0.136 19879 103 1 1 . 1 1 23 23 THR CB C 23 67.525 67.525 68.392 -0.867 19879 104 1 1 . 1 1 23 23 THR H H 23 8.130 8.130 8.140 -0.010 19879 105 1 1 . 1 1 24 24 LYS N N 24 121.423 121.423 122.027 -0.604 19879 106 1 1 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.204 -0.040 19879 107 1 1 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.845 -1.062 19879 108 1 1 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.650 -1.221 19879 109 1 1 . 1 1 24 24 LYS H H 24 7.410 7.410 7.607 -0.197 19879 110 1 1 . 1 1 25 25 ILE N N 25 118.727 118.727 115.955 2.772 19879 111 1 1 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.924 -0.476 19879 112 1 1 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.437 0.502 19879 113 1 1 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.851 -0.703 19879 114 1 1 . 1 1 25 25 ILE H H 25 7.255 7.255 7.421 -0.166 19879 115 1 1 . 1 1 26 26 LEU N N 26 117.967 117.967 121.702 -3.735 19879 116 1 1 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.818 -0.085 19879 117 1 1 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.660 -1.076 19879 118 1 1 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.698 -0.828 19879 119 1 1 . 1 1 26 26 LEU H H 26 7.893 7.893 7.605 0.288 19879 120 1 1 . 1 1 27 27 GLU N N 27 117.202 117.202 118.580 -1.378 19879 121 1 1 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.916 -0.120 19879 122 1 1 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.971 -0.989 19879 123 1 1 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.220 -0.446 19879 124 1 1 . 1 1 27 27 GLU H H 27 7.851 7.851 7.761 0.090 19879 125 1 1 . 1 1 28 28 GLU N N 28 119.243 119.243 118.802 0.441 19879 126 1 1 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.144 -0.017 19879 127 1 1 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.839 -1.622 19879 128 1 1 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.030 -0.832 19879 129 1 1 . 1 1 28 28 GLU H H 28 7.597 7.597 7.891 -0.294 19879 130 1 1 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.081 -0.206 19879 131 1 1 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.956 -0.514 19879 132 1 1 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.123 -1.312 19879 133 1 1 . 1 1 30 30 LEU N N 30 121.505 121.505 118.687 2.818 19879 134 1 1 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.045 0.070 19879 135 1 1 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.361 0.498 19879 136 1 1 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.595 -0.329 19879 137 1 1 . 1 1 30 30 LEU H H 30 8.508 8.508 7.706 0.802 19879 138 1 1 . 1 1 31 31 ARG N N 31 120.484 120.484 118.880 1.604 19879 139 1 1 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.092 -0.043 19879 140 1 1 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.752 -0.283 19879 141 1 1 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.176 -0.803 19879 142 1 1 . 1 1 31 31 ARG H H 31 8.274 8.274 7.517 0.757 19879 143 1 1 . 1 1 32 32 ARG N N 32 114.502 114.502 116.878 -2.376 19879 144 1 1 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.391 0.062 19879 145 1 1 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.029 -2.367 19879 146 1 1 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.413 -0.912 19879 147 1 1 . 1 1 32 32 ARG H H 32 7.291 7.291 7.802 -0.511 19879 148 1 1 . 1 1 33 33 GLY N N 33 108.310 108.310 107.651 0.659 19879 149 1 1 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.397 0.194 19879 150 1 1 . 1 1 33 33 GLY H H 33 8.134 8.134 7.714 0.420 19879 151 1 1 . 1 1 34 34 LEU N N 34 117.715 117.715 119.196 -1.481 19879 152 1 1 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.507 -0.102 19879 153 1 1 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.018 -1.690 19879 154 1 1 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.071 -1.541 19879 155 1 1 . 1 1 34 34 LEU H H 34 8.121 8.121 8.086 0.035 19879 156 1 1 . 1 1 35 35 LEU N N 35 119.920 119.920 119.930 -0.010 19879 157 1 1 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.775 -0.210 19879 158 1 1 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.982 -1.159 19879 159 1 1 . 1 1 35 35 LEU CB C 35 46.726 46.726 43.859 2.866 19879 160 1 1 . 1 1 35 35 LEU H H 35 7.219 7.219 7.543 -0.324 19879 161 1 1 . 1 1 36 36 THR N N 36 115.405 115.405 115.020 0.385 19879 162 1 1 . 1 1 36 36 THR HA H 36 4.743 4.743 4.927 -0.184 19879 163 1 1 . 1 1 36 36 THR CA C 36 59.034 59.034 58.035 0.999 19879 164 1 1 . 1 1 36 36 THR CB C 36 68.143 68.143 69.466 -1.323 19879 165 1 1 . 1 1 36 36 THR H H 36 8.948 8.948 8.486 0.462 19879 166 1 1 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.337 -0.250 19879 167 1 1 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.327 -0.220 19879 168 1 1 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.546 -0.709 19879 169 1 1 . 1 1 38 38 ALA N N 38 119.090 119.090 120.492 -1.402 19879 170 1 1 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.215 -0.115 19879 171 1 1 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.800 -0.513 19879 172 1 1 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.372 -0.683 19879 173 1 1 . 1 1 38 38 ALA H H 38 7.975 7.975 8.323 -0.348 19879 174 1 1 . 1 1 39 39 GLU N N 39 120.475 120.475 118.839 1.636 19879 175 1 1 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.150 -0.365 19879 176 1 1 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.388 -0.104 19879 177 1 1 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.753 -0.497 19879 178 1 1 . 1 1 39 39 GLU H H 39 7.592 7.592 7.708 -0.117 19879 179 1 1 . 1 1 40 40 LEU N N 40 118.126 118.126 121.741 -3.615 19879 180 1 1 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.977 -0.150 19879 181 1 1 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.210 -0.191 19879 182 1 1 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.120 -1.176 19879 183 1 1 . 1 1 40 40 LEU H H 40 7.878 7.878 8.519 -0.641 19879 184 1 1 . 1 1 41 41 GLN N N 41 116.956 116.956 115.593 1.363 19879 185 1 1 . 1 1 41 41 GLN HA H 41 3.711 3.711 4.011 -0.300 19879 186 1 1 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.363 -0.803 19879 187 1 1 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.140 -0.605 19879 188 1 1 . 1 1 41 41 GLN H H 41 7.957 7.957 7.883 0.074 19879 189 1 1 . 1 1 42 42 GLU N N 42 117.014 117.014 120.547 -3.533 19879 190 1 1 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.161 -0.126 19879 191 1 1 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.242 -0.376 19879 192 1 1 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.679 -0.580 19879 193 1 1 . 1 1 42 42 GLU H H 42 7.676 7.676 7.413 0.263 19879 194 1 1 . 1 1 43 43 VAL N N 43 116.546 116.546 119.454 -2.908 19879 195 1 1 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.940 -0.272 19879 196 1 1 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.463 1.131 19879 197 1 1 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.604 -0.985 19879 198 1 1 . 1 1 43 43 VAL H H 43 7.566 7.566 7.580 -0.014 19879 199 1 1 . 1 1 44 44 LEU N N 44 118.168 118.168 117.778 0.390 19879 200 1 1 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.276 -0.331 19879 201 1 1 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.549 -0.185 19879 202 1 1 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.307 -1.759 19879 203 1 1 . 1 1 44 44 LEU H H 44 8.199 8.199 8.024 0.175 19879 204 1 1 . 1 1 45 45 ASP N N 45 116.834 116.834 118.283 -1.449 19879 205 1 1 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.548 -0.070 19879 206 1 1 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.374 -1.640 19879 207 1 1 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.843 -1.287 19879 208 1 1 . 1 1 45 45 ASP H H 45 7.776 7.776 7.579 0.197 19879 209 1 1 . 1 1 46 46 LEU N N 46 121.360 121.360 117.903 3.457 19879 210 1 1 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.403 0.039 19879 211 1 1 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.228 -1.169 19879 212 1 1 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.430 -1.283 19879 213 1 1 . 1 1 46 46 LEU H H 46 7.548 7.548 7.400 0.148 19879 214 1 1 . 1 1 47 47 LYS N N 47 116.693 116.693 120.407 -3.714 19879 215 1 1 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.429 -0.252 19879 216 1 1 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.821 1.638 19879 217 1 1 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.616 0.169 19879 218 1 1 . 1 1 47 47 LYS H H 47 8.586 8.586 8.507 0.079 19879 219 1 1 . 1 1 48 48 THR N N 48 107.567 107.567 114.362 -6.795 19879 220 1 1 . 1 1 48 48 THR HA H 48 5.013 5.013 4.741 0.272 19879 221 1 1 . 1 1 48 48 THR CA C 48 57.421 57.421 58.325 -0.904 19879 222 1 1 . 1 1 48 48 THR CB C 48 69.457 69.457 69.346 0.111 19879 223 1 1 . 1 1 48 48 THR H H 48 7.459 7.459 7.609 -0.150 19879 224 1 1 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.267 0.069 19879 225 1 1 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.123 -0.955 19879 226 1 1 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.896 -0.648 19879 227 1 1 . 1 1 50 50 GLU N N 50 117.217 117.217 118.640 -1.423 19879 228 1 1 . 1 1 50 50 GLU HA H 50 3.818 3.818 4.002 -0.184 19879 229 1 1 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.598 0.508 19879 230 1 1 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.863 -0.759 19879 231 1 1 . 1 1 50 50 GLU H H 50 9.036 9.036 8.836 0.200 19879 232 1 1 . 1 1 51 51 GLU N N 51 117.482 117.482 119.517 -2.035 19879 233 1 1 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.108 -0.197 19879 234 1 1 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.105 -0.498 19879 235 1 1 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.410 1.194 19879 236 1 1 . 1 1 51 51 GLU H H 51 7.561 7.561 8.450 -0.889 19879 237 1 1 . 1 1 52 52 GLN N N 52 118.967 118.967 119.017 -0.050 19879 238 1 1 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.964 -0.175 19879 239 1 1 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.035 -0.065 19879 240 1 1 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.625 -1.103 19879 241 1 1 . 1 1 52 52 GLN H H 52 8.125 8.125 7.781 0.344 19879 242 1 1 . 1 1 53 53 ALA N N 53 119.946 119.946 121.148 -1.202 19879 243 1 1 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.988 -0.241 19879 244 1 1 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.054 -0.295 19879 245 1 1 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.232 0.122 19879 246 1 1 . 1 1 53 53 ALA H H 53 8.698 8.698 7.719 0.979 19879 247 1 1 . 1 1 54 54 LYS N N 54 115.558 115.558 118.005 -2.447 19879 248 1 1 . 1 1 54 54 LYS HA H 54 3.692 3.692 4.035 -0.343 19879 249 1 1 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.325 -0.189 19879 250 1 1 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.360 -0.567 19879 251 1 1 . 1 1 54 54 LYS H H 54 7.647 7.647 7.591 0.056 19879 252 1 1 . 1 1 55 55 LYS N N 55 119.514 119.514 119.472 0.042 19879 253 1 1 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.211 -0.359 19879 254 1 1 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.604 -2.235 19879 255 1 1 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.058 -1.957 19879 256 1 1 . 1 1 55 55 LYS H H 55 7.593 7.593 7.921 -0.328 19879 257 1 1 . 1 1 56 56 LEU N N 56 118.162 118.162 120.937 -2.775 19879 258 1 1 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.093 -0.258 19879 259 1 1 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.197 -0.316 19879 260 1 1 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.181 -1.119 19879 261 1 1 . 1 1 56 56 LEU H H 56 8.035 8.035 7.429 0.606 19879 262 1 1 . 1 1 57 57 ILE N N 57 116.360 116.360 116.343 0.017 19879 263 1 1 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.629 -0.097 19879 264 1 1 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.140 -2.533 19879 265 1 1 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.334 -2.142 19879 266 1 1 . 1 1 57 57 ILE H H 57 7.769 7.769 7.673 0.096 19879 267 1 1 . 1 1 58 58 ASP N N 58 121.683 121.683 120.579 1.104 19879 268 1 1 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.495 -0.259 19879 269 1 1 . 1 1 58 58 ASP CA C 58 57.080 57.080 58.077 -0.997 19879 270 1 1 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.695 -0.698 19879 271 1 1 . 1 1 58 58 ASP H H 58 7.859 7.859 7.996 -0.137 19879 272 1 1 . 1 1 59 59 PHE N N 59 115.587 115.587 117.215 -1.628 19879 273 1 1 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.338 0.112 19879 274 1 1 . 1 1 59 59 PHE CA C 59 57.353 57.353 60.873 -3.520 19879 275 1 1 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.954 -3.204 19879 276 1 1 . 1 1 59 59 PHE H H 59 7.968 7.968 7.384 0.584 19879 277 1 1 . 1 1 60 60 ILE N N 60 117.997 117.997 113.497 4.500 19879 278 1 1 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.260 -0.476 19879 279 1 1 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.625 1.200 19879 280 1 1 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.137 -0.200 19879 281 1 1 . 1 1 60 60 ILE H H 60 7.787 7.787 7.595 0.192 19879 282 1 1 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.266 -0.133 19879 283 1 1 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.885 -0.424 19879 284 1 1 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.177 -2.188 19879 285 1 2 . 1 1 2 2 THR N N 2 116.344 116.344 114.362 1.982 19879 286 1 2 . 1 1 2 2 THR HA H 2 4.607 4.607 4.819 -0.212 19879 287 1 2 . 1 1 2 2 THR CA C 2 59.469 59.469 59.355 0.114 19879 288 1 2 . 1 1 2 2 THR CB C 2 67.629 67.629 70.292 -2.663 19879 289 1 2 . 1 1 2 2 THR H H 2 8.950 8.950 8.107 0.843 19879 290 1 2 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.313 -0.138 19879 291 1 2 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.841 0.341 19879 292 1 2 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.115 -1.149 19879 293 1 2 . 1 1 4 4 GLU N N 4 116.437 116.437 116.383 0.054 19879 294 1 2 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.219 -0.203 19879 295 1 2 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.608 0.218 19879 296 1 2 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.434 -1.170 19879 297 1 2 . 1 1 4 4 GLU H H 4 8.943 8.943 8.779 0.164 19879 298 1 2 . 1 1 5 5 GLN N N 5 120.183 120.183 117.856 2.327 19879 299 1 2 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.191 -0.447 19879 300 1 2 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.711 0.388 19879 301 1 2 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.933 -1.092 19879 302 1 2 . 1 1 5 5 GLN H H 5 7.708 7.708 7.817 -0.109 19879 303 1 2 . 1 1 6 6 ARG N N 6 119.108 119.108 118.680 0.428 19879 304 1 2 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.157 -0.067 19879 305 1 2 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.582 0.377 19879 306 1 2 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.226 -1.047 19879 307 1 2 . 1 1 6 6 ARG H H 6 8.391 8.391 7.766 0.625 19879 308 1 2 . 1 1 7 7 GLU N N 7 116.726 116.726 117.004 -0.278 19879 309 1 2 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.150 -0.055 19879 310 1 2 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.895 -0.541 19879 311 1 2 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.189 -1.048 19879 312 1 2 . 1 1 7 7 GLU H H 7 8.000 8.000 7.894 0.106 19879 313 1 2 . 1 1 8 8 PHE N N 8 119.217 119.217 116.906 2.311 19879 314 1 2 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.561 0.099 19879 315 1 2 . 1 1 8 8 PHE CA C 8 58.055 58.055 60.064 -2.009 19879 316 1 2 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.640 0.096 19879 317 1 2 . 1 1 8 8 PHE H H 8 7.706 7.706 7.601 0.105 19879 318 1 2 . 1 1 9 9 LEU N N 9 119.532 119.532 121.334 -1.802 19879 319 1 2 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.170 -0.178 19879 320 1 2 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.512 -1.886 19879 321 1 2 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.719 -0.425 19879 322 1 2 . 1 1 9 9 LEU H H 9 7.840 7.840 8.075 -0.235 19879 323 1 2 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.284 -0.179 19879 324 1 2 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.054 0.628 19879 325 1 2 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.086 -0.597 19879 326 1 2 . 1 1 11 11 GLU N N 11 116.603 116.603 116.913 -0.310 19879 327 1 2 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.254 -0.275 19879 328 1 2 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.505 -0.167 19879 329 1 2 . 1 1 11 11 GLU CB C 11 28.364 28.364 30.212 -1.848 19879 330 1 2 . 1 1 11 11 GLU H H 11 8.019 8.019 7.808 0.211 19879 331 1 2 . 1 1 12 12 ILE N N 12 120.060 120.060 117.578 2.482 19879 332 1 2 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.016 -0.694 19879 333 1 2 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.580 0.945 19879 334 1 2 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.811 -0.693 19879 335 1 2 . 1 1 12 12 ILE H H 12 7.398 7.398 7.336 0.062 19879 336 1 2 . 1 1 13 13 LEU N N 13 117.822 117.822 120.610 -2.788 19879 337 1 2 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.815 -0.114 19879 338 1 2 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.168 -0.809 19879 339 1 2 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.710 -1.178 19879 340 1 2 . 1 1 13 13 LEU H H 13 7.492 7.492 7.681 -0.189 19879 341 1 2 . 1 1 14 14 ALA N N 14 118.447 118.447 119.818 -1.371 19879 342 1 2 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.000 -0.049 19879 343 1 2 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.034 -0.869 19879 344 1 2 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.135 -0.899 19879 345 1 2 . 1 1 14 14 ALA H H 14 8.038 8.038 7.907 0.131 19879 346 1 2 . 1 1 15 15 GLU N N 15 117.320 117.320 116.567 0.753 19879 347 1 2 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.179 -0.087 19879 348 1 2 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.051 -0.559 19879 349 1 2 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.661 -1.214 19879 350 1 2 . 1 1 15 15 GLU H H 15 7.085 7.085 7.906 -0.821 19879 351 1 2 . 1 1 16 16 ILE N N 16 116.223 116.223 118.607 -2.384 19879 352 1 2 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.060 -0.452 19879 353 1 2 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.705 1.315 19879 354 1 2 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.999 -1.278 19879 355 1 2 . 1 1 16 16 ILE H H 16 7.331 7.331 7.209 0.122 19879 356 1 2 . 1 1 17 17 ILE N N 17 116.602 116.602 120.028 -3.426 19879 357 1 2 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.762 -0.114 19879 358 1 2 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.598 -1.319 19879 359 1 2 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.832 -0.373 19879 360 1 2 . 1 1 17 17 ILE H H 17 8.214 8.214 7.524 0.690 19879 361 1 2 . 1 1 18 18 ALA N N 18 119.329 119.329 120.564 -1.235 19879 362 1 2 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.315 -0.135 19879 363 1 2 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.437 0.299 19879 364 1 2 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.207 -0.633 19879 365 1 2 . 1 1 18 18 ALA H H 18 8.056 8.056 7.944 0.112 19879 366 1 2 . 1 1 19 19 ASN N N 19 110.910 110.910 115.570 -4.660 19879 367 1 2 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.862 0.160 19879 368 1 2 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.877 0.714 19879 369 1 2 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.128 0.966 19879 370 1 2 . 1 1 19 19 ASN H H 19 7.295 7.295 7.742 -0.447 19879 371 1 2 . 1 1 20 20 LEU N N 20 119.881 119.881 121.014 -1.133 19879 372 1 2 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.633 0.090 19879 373 1 2 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.661 -1.174 19879 374 1 2 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.765 -0.956 19879 375 1 2 . 1 1 20 20 LEU H H 20 8.134 8.134 7.308 0.826 19879 376 1 2 . 1 1 21 21 ASP N N 21 119.289 119.289 123.998 -4.709 19879 377 1 2 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.056 0.059 19879 378 1 2 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.877 -2.304 19879 379 1 2 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.090 -0.838 19879 380 1 2 . 1 1 21 21 ASP H H 21 8.081 8.081 8.448 -0.367 19879 381 1 2 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.169 -0.233 19879 382 1 2 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.801 -0.450 19879 383 1 2 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.698 -0.171 19879 384 1 2 . 1 1 23 23 THR N N 23 109.956 109.956 110.646 -0.690 19879 385 1 2 . 1 1 23 23 THR HA H 23 3.770 3.770 4.127 -0.357 19879 386 1 2 . 1 1 23 23 THR CA C 23 65.649 65.649 65.770 -0.121 19879 387 1 2 . 1 1 23 23 THR CB C 23 67.525 67.525 68.219 -0.693 19879 388 1 2 . 1 1 23 23 THR H H 23 8.130 8.130 8.261 -0.131 19879 389 1 2 . 1 1 24 24 LYS N N 24 121.423 121.423 122.485 -1.062 19879 390 1 2 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.204 -0.040 19879 391 1 2 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.919 -1.137 19879 392 1 2 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.560 -1.131 19879 393 1 2 . 1 1 24 24 LYS H H 24 7.410 7.410 7.654 -0.244 19879 394 1 2 . 1 1 25 25 ILE N N 25 118.727 118.727 116.268 2.459 19879 395 1 2 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.808 -0.360 19879 396 1 2 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.802 0.137 19879 397 1 2 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.864 -0.716 19879 398 1 2 . 1 1 25 25 ILE H H 25 7.255 7.255 7.415 -0.160 19879 399 1 2 . 1 1 26 26 LEU N N 26 117.967 117.967 121.724 -3.757 19879 400 1 2 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.884 -0.151 19879 401 1 2 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.487 -0.903 19879 402 1 2 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.798 -0.928 19879 403 1 2 . 1 1 26 26 LEU H H 26 7.893 7.893 7.595 0.298 19879 404 1 2 . 1 1 27 27 GLU N N 27 117.202 117.202 118.590 -1.388 19879 405 1 2 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.974 -0.178 19879 406 1 2 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.907 -0.926 19879 407 1 2 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.201 -0.427 19879 408 1 2 . 1 1 27 27 GLU H H 27 7.851 7.851 7.647 0.204 19879 409 1 2 . 1 1 28 28 GLU N N 28 119.243 119.243 118.238 1.005 19879 410 1 2 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.140 -0.013 19879 411 1 2 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.635 -1.418 19879 412 1 2 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.110 -0.911 19879 413 1 2 . 1 1 28 28 GLU H H 28 7.597 7.597 7.866 -0.269 19879 414 1 2 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.132 -0.257 19879 415 1 2 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.799 -0.357 19879 416 1 2 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.264 -1.453 19879 417 1 2 . 1 1 30 30 LEU N N 30 121.505 121.505 118.713 2.792 19879 418 1 2 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.021 0.094 19879 419 1 2 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.411 0.448 19879 420 1 2 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.675 -0.409 19879 421 1 2 . 1 1 30 30 LEU H H 30 8.508 8.508 7.672 0.836 19879 422 1 2 . 1 1 31 31 ARG N N 31 120.484 120.484 117.650 2.834 19879 423 1 2 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.150 -0.101 19879 424 1 2 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.228 0.241 19879 425 1 2 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.214 -0.841 19879 426 1 2 . 1 1 31 31 ARG H H 31 8.274 8.274 7.477 0.797 19879 427 1 2 . 1 1 32 32 ARG N N 32 114.502 114.502 118.010 -3.508 19879 428 1 2 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.421 0.032 19879 429 1 2 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.944 -2.283 19879 430 1 2 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.185 -0.684 19879 431 1 2 . 1 1 32 32 ARG H H 32 7.291 7.291 7.488 -0.197 19879 432 1 2 . 1 1 33 33 GLY N N 33 108.310 108.310 107.819 0.491 19879 433 1 2 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.453 0.138 19879 434 1 2 . 1 1 33 33 GLY H H 33 8.134 8.134 7.634 0.500 19879 435 1 2 . 1 1 34 34 LEU N N 34 117.715 117.715 119.103 -1.388 19879 436 1 2 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.587 -0.182 19879 437 1 2 . 1 1 34 34 LEU CA C 34 53.328 53.328 54.834 -1.506 19879 438 1 2 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.193 -1.663 19879 439 1 2 . 1 1 34 34 LEU H H 34 8.121 8.121 7.781 0.340 19879 440 1 2 . 1 1 35 35 LEU N N 35 119.920 119.920 120.083 -0.163 19879 441 1 2 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.789 -0.224 19879 442 1 2 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.966 -1.143 19879 443 1 2 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.322 2.404 19879 444 1 2 . 1 1 35 35 LEU H H 35 7.219 7.219 7.570 -0.351 19879 445 1 2 . 1 1 36 36 THR N N 36 115.405 115.405 115.374 0.031 19879 446 1 2 . 1 1 36 36 THR HA H 36 4.743 4.743 4.913 -0.170 19879 447 1 2 . 1 1 36 36 THR CA C 36 59.034 59.034 58.106 0.928 19879 448 1 2 . 1 1 36 36 THR CB C 36 68.143 68.143 69.323 -1.181 19879 449 1 2 . 1 1 36 36 THR H H 36 8.948 8.948 8.417 0.531 19879 450 1 2 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.375 -0.288 19879 451 1 2 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.156 -0.049 19879 452 1 2 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.590 -0.753 19879 453 1 2 . 1 1 38 38 ALA N N 38 119.090 119.090 120.512 -1.422 19879 454 1 2 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.216 -0.116 19879 455 1 2 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.898 -0.611 19879 456 1 2 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.390 -0.701 19879 457 1 2 . 1 1 38 38 ALA H H 38 7.975 7.975 8.379 -0.404 19879 458 1 2 . 1 1 39 39 GLU N N 39 120.475 120.475 118.912 1.563 19879 459 1 2 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.326 -0.541 19879 460 1 2 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.553 -0.269 19879 461 1 2 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.795 -0.539 19879 462 1 2 . 1 1 39 39 GLU H H 39 7.592 7.592 7.794 -0.202 19879 463 1 2 . 1 1 40 40 LEU N N 40 118.126 118.126 121.634 -3.508 19879 464 1 2 . 1 1 40 40 LEU HA H 40 3.827 3.827 4.053 -0.226 19879 465 1 2 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.232 -0.213 19879 466 1 2 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.175 -1.231 19879 467 1 2 . 1 1 40 40 LEU H H 40 7.878 7.878 8.229 -0.351 19879 468 1 2 . 1 1 41 41 GLN N N 41 116.956 116.956 117.002 -0.046 19879 469 1 2 . 1 1 41 41 GLN HA H 41 3.711 3.711 4.014 -0.303 19879 470 1 2 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.832 -1.272 19879 471 1 2 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.188 -0.654 19879 472 1 2 . 1 1 41 41 GLN H H 41 7.957 7.957 8.029 -0.072 19879 473 1 2 . 1 1 42 42 GLU N N 42 117.014 117.014 119.920 -2.906 19879 474 1 2 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.139 -0.104 19879 475 1 2 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.180 -0.315 19879 476 1 2 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.488 -0.390 19879 477 1 2 . 1 1 42 42 GLU H H 42 7.676 7.676 7.500 0.176 19879 478 1 2 . 1 1 43 43 VAL N N 43 116.546 116.546 119.333 -2.787 19879 479 1 2 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.886 -0.218 19879 480 1 2 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.856 0.738 19879 481 1 2 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.009 -1.390 19879 482 1 2 . 1 1 43 43 VAL H H 43 7.566 7.566 7.516 0.050 19879 483 1 2 . 1 1 44 44 LEU N N 44 118.168 118.168 117.290 0.878 19879 484 1 2 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.250 -0.305 19879 485 1 2 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.518 -0.154 19879 486 1 2 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.284 -1.736 19879 487 1 2 . 1 1 44 44 LEU H H 44 8.199 8.199 8.154 0.045 19879 488 1 2 . 1 1 45 45 ASP N N 45 116.834 116.834 118.368 -1.534 19879 489 1 2 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.520 -0.042 19879 490 1 2 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.597 -1.863 19879 491 1 2 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.697 -1.141 19879 492 1 2 . 1 1 45 45 ASP H H 45 7.776 7.776 7.581 0.195 19879 493 1 2 . 1 1 46 46 LEU N N 46 121.360 121.360 117.735 3.625 19879 494 1 2 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.418 0.024 19879 495 1 2 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.041 -0.982 19879 496 1 2 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.493 -1.346 19879 497 1 2 . 1 1 46 46 LEU H H 46 7.548 7.548 7.411 0.137 19879 498 1 2 . 1 1 47 47 LYS N N 47 116.693 116.693 121.212 -4.519 19879 499 1 2 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.387 -0.210 19879 500 1 2 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.602 1.857 19879 501 1 2 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.576 0.209 19879 502 1 2 . 1 1 47 47 LYS H H 47 8.586 8.586 8.565 0.021 19879 503 1 2 . 1 1 48 48 THR N N 48 107.567 107.567 113.578 -6.011 19879 504 1 2 . 1 1 48 48 THR HA H 48 5.013 5.013 4.723 0.289 19879 505 1 2 . 1 1 48 48 THR CA C 48 57.421 57.421 58.475 -1.054 19879 506 1 2 . 1 1 48 48 THR CB C 48 69.457 69.457 68.975 0.482 19879 507 1 2 . 1 1 48 48 THR H H 48 7.459 7.459 7.602 -0.143 19879 508 1 2 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.166 0.170 19879 509 1 2 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.394 -1.227 19879 510 1 2 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.783 -0.535 19879 511 1 2 . 1 1 50 50 GLU N N 50 117.217 117.217 116.594 0.623 19879 512 1 2 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.990 -0.172 19879 513 1 2 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.807 0.299 19879 514 1 2 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.000 -0.896 19879 515 1 2 . 1 1 50 50 GLU H H 50 9.036 9.036 8.840 0.196 19879 516 1 2 . 1 1 51 51 GLU N N 51 117.482 117.482 119.614 -2.132 19879 517 1 2 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.095 -0.184 19879 518 1 2 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.023 -0.416 19879 519 1 2 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.425 1.179 19879 520 1 2 . 1 1 51 51 GLU H H 51 7.561 7.561 7.789 -0.228 19879 521 1 2 . 1 1 52 52 GLN N N 52 118.967 118.967 119.064 -0.097 19879 522 1 2 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.950 -0.161 19879 523 1 2 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.094 -0.124 19879 524 1 2 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.642 -1.120 19879 525 1 2 . 1 1 52 52 GLN H H 52 8.125 8.125 8.108 0.017 19879 526 1 2 . 1 1 53 53 ALA N N 53 119.946 119.946 120.982 -1.036 19879 527 1 2 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.986 -0.239 19879 528 1 2 . 1 1 53 53 ALA CA C 53 54.759 54.759 54.997 -0.238 19879 529 1 2 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.187 0.167 19879 530 1 2 . 1 1 53 53 ALA H H 53 8.698 8.698 7.753 0.945 19879 531 1 2 . 1 1 54 54 LYS N N 54 115.558 115.558 117.990 -2.432 19879 532 1 2 . 1 1 54 54 LYS HA H 54 3.692 3.692 4.001 -0.309 19879 533 1 2 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.361 -0.225 19879 534 1 2 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.303 -0.510 19879 535 1 2 . 1 1 54 54 LYS H H 54 7.647 7.647 7.564 0.083 19879 536 1 2 . 1 1 55 55 LYS N N 55 119.514 119.514 119.089 0.425 19879 537 1 2 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.191 -0.339 19879 538 1 2 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.544 -2.175 19879 539 1 2 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.186 -2.085 19879 540 1 2 . 1 1 55 55 LYS H H 55 7.593 7.593 7.936 -0.343 19879 541 1 2 . 1 1 56 56 LEU N N 56 118.162 118.162 121.423 -3.261 19879 542 1 2 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.002 -0.167 19879 543 1 2 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.086 -0.205 19879 544 1 2 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.137 -1.075 19879 545 1 2 . 1 1 56 56 LEU H H 56 8.035 8.035 7.409 0.626 19879 546 1 2 . 1 1 57 57 ILE N N 57 116.360 116.360 118.578 -2.218 19879 547 1 2 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.611 -0.079 19879 548 1 2 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.645 -3.038 19879 549 1 2 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.685 -2.493 19879 550 1 2 . 1 1 57 57 ILE H H 57 7.769 7.769 7.648 0.121 19879 551 1 2 . 1 1 58 58 ASP N N 58 121.683 121.683 119.325 2.358 19879 552 1 2 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.472 -0.236 19879 553 1 2 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.759 -0.679 19879 554 1 2 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.902 -0.905 19879 555 1 2 . 1 1 58 58 ASP H H 58 7.859 7.859 7.993 -0.134 19879 556 1 2 . 1 1 59 59 PHE N N 59 115.587 115.587 118.122 -2.535 19879 557 1 2 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.338 0.112 19879 558 1 2 . 1 1 59 59 PHE CA C 59 57.353 57.353 61.318 -3.965 19879 559 1 2 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.840 -3.090 19879 560 1 2 . 1 1 59 59 PHE H H 59 7.968 7.968 7.684 0.284 19879 561 1 2 . 1 1 60 60 ILE N N 60 117.997 117.997 116.415 1.582 19879 562 1 2 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.163 -0.379 19879 563 1 2 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.823 0.002 19879 564 1 2 . 1 1 60 60 ILE CB C 60 37.937 37.937 37.852 0.085 19879 565 1 2 . 1 1 60 60 ILE H H 60 7.787 7.787 7.706 0.081 19879 566 1 2 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.236 -0.103 19879 567 1 2 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.873 -0.412 19879 568 1 2 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.139 -2.150 19879 569 1 3 . 1 1 2 2 THR N N 2 116.344 116.344 115.859 0.485 19879 570 1 3 . 1 1 2 2 THR HA H 2 4.607 4.607 4.808 -0.201 19879 571 1 3 . 1 1 2 2 THR CA C 2 59.469 59.469 59.802 -0.333 19879 572 1 3 . 1 1 2 2 THR CB C 2 67.629 67.629 71.333 -3.704 19879 573 1 3 . 1 1 2 2 THR H H 2 8.950 8.950 7.766 1.184 19879 574 1 3 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.332 -0.157 19879 575 1 3 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.558 0.625 19879 576 1 3 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.159 -1.193 19879 577 1 3 . 1 1 4 4 GLU N N 4 116.437 116.437 116.889 -0.452 19879 578 1 3 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.266 -0.250 19879 579 1 3 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.301 0.525 19879 580 1 3 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.454 -1.190 19879 581 1 3 . 1 1 4 4 GLU H H 4 8.943 8.943 8.775 0.168 19879 582 1 3 . 1 1 5 5 GLN N N 5 120.183 120.183 118.083 2.100 19879 583 1 3 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.178 -0.434 19879 584 1 3 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.721 0.378 19879 585 1 3 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.899 -1.058 19879 586 1 3 . 1 1 5 5 GLN H H 5 7.708 7.708 7.660 0.048 19879 587 1 3 . 1 1 6 6 ARG N N 6 119.108 119.108 118.353 0.755 19879 588 1 3 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.152 -0.062 19879 589 1 3 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.569 0.390 19879 590 1 3 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.130 -0.951 19879 591 1 3 . 1 1 6 6 ARG H H 6 8.391 8.391 7.673 0.718 19879 592 1 3 . 1 1 7 7 GLU N N 7 116.726 116.726 116.957 -0.231 19879 593 1 3 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.193 -0.098 19879 594 1 3 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.773 -0.419 19879 595 1 3 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.102 -0.961 19879 596 1 3 . 1 1 7 7 GLU H H 7 8.000 8.000 7.925 0.075 19879 597 1 3 . 1 1 8 8 PHE N N 8 119.217 119.217 117.003 2.214 19879 598 1 3 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.628 0.031 19879 599 1 3 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.626 -1.571 19879 600 1 3 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.745 -0.009 19879 601 1 3 . 1 1 8 8 PHE H H 8 7.706 7.706 7.502 0.204 19879 602 1 3 . 1 1 9 9 LEU N N 9 119.532 119.532 121.556 -2.024 19879 603 1 3 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.154 -0.162 19879 604 1 3 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.714 -2.088 19879 605 1 3 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.603 -0.309 19879 606 1 3 . 1 1 9 9 LEU H H 9 7.840 7.840 8.232 -0.392 19879 607 1 3 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.246 -0.141 19879 608 1 3 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.284 0.398 19879 609 1 3 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.076 -0.587 19879 610 1 3 . 1 1 11 11 GLU N N 11 116.603 116.603 117.074 -0.471 19879 611 1 3 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.230 -0.251 19879 612 1 3 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.620 -0.282 19879 613 1 3 . 1 1 11 11 GLU CB C 11 28.364 28.364 30.124 -1.760 19879 614 1 3 . 1 1 11 11 GLU H H 11 8.019 8.019 7.685 0.334 19879 615 1 3 . 1 1 12 12 ILE N N 12 120.060 120.060 117.710 2.350 19879 616 1 3 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.048 -0.726 19879 617 1 3 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.108 1.417 19879 618 1 3 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.754 -0.636 19879 619 1 3 . 1 1 12 12 ILE H H 12 7.398 7.398 7.431 -0.033 19879 620 1 3 . 1 1 13 13 LEU N N 13 117.822 117.822 121.184 -3.362 19879 621 1 3 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.836 -0.135 19879 622 1 3 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.548 -1.190 19879 623 1 3 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.657 -1.125 19879 624 1 3 . 1 1 13 13 LEU H H 13 7.492 7.492 8.038 -0.546 19879 625 1 3 . 1 1 14 14 ALA N N 14 118.447 118.447 119.192 -0.745 19879 626 1 3 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.006 -0.055 19879 627 1 3 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.988 -0.823 19879 628 1 3 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.172 -0.936 19879 629 1 3 . 1 1 14 14 ALA H H 14 8.038 8.038 7.886 0.152 19879 630 1 3 . 1 1 15 15 GLU N N 15 117.320 117.320 116.532 0.788 19879 631 1 3 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.190 -0.098 19879 632 1 3 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.957 -0.465 19879 633 1 3 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.732 -1.285 19879 634 1 3 . 1 1 15 15 GLU H H 15 7.085 7.085 7.839 -0.754 19879 635 1 3 . 1 1 16 16 ILE N N 16 116.223 116.223 118.468 -2.245 19879 636 1 3 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.068 -0.460 19879 637 1 3 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.777 1.243 19879 638 1 3 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.087 -1.365 19879 639 1 3 . 1 1 16 16 ILE H H 16 7.331 7.331 7.264 0.067 19879 640 1 3 . 1 1 17 17 ILE N N 17 116.602 116.602 119.719 -3.117 19879 641 1 3 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.799 -0.151 19879 642 1 3 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.432 -1.153 19879 643 1 3 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.941 -0.482 19879 644 1 3 . 1 1 17 17 ILE H H 17 8.214 8.214 7.519 0.695 19879 645 1 3 . 1 1 18 18 ALA N N 18 119.329 119.329 120.924 -1.595 19879 646 1 3 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.319 -0.139 19879 647 1 3 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.509 0.227 19879 648 1 3 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.244 -0.670 19879 649 1 3 . 1 1 18 18 ALA H H 18 8.056 8.056 7.833 0.223 19879 650 1 3 . 1 1 19 19 ASN N N 19 110.910 110.910 115.599 -4.689 19879 651 1 3 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.852 0.170 19879 652 1 3 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.906 0.684 19879 653 1 3 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.995 1.099 19879 654 1 3 . 1 1 19 19 ASN H H 19 7.295 7.295 7.795 -0.500 19879 655 1 3 . 1 1 20 20 LEU N N 20 119.881 119.881 121.105 -1.224 19879 656 1 3 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.591 0.132 19879 657 1 3 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.692 -1.205 19879 658 1 3 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.528 -0.719 19879 659 1 3 . 1 1 20 20 LEU H H 20 8.134 8.134 7.321 0.813 19879 660 1 3 . 1 1 21 21 ASP N N 21 119.289 119.289 123.952 -4.663 19879 661 1 3 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.034 0.081 19879 662 1 3 . 1 1 21 21 ASP CA C 21 49.573 49.573 52.048 -2.475 19879 663 1 3 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.129 -0.877 19879 664 1 3 . 1 1 21 21 ASP H H 21 8.081 8.081 8.428 -0.347 19879 665 1 3 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.208 -0.272 19879 666 1 3 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.715 -0.364 19879 667 1 3 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.767 -0.240 19879 668 1 3 . 1 1 23 23 THR N N 23 109.956 109.956 109.929 0.027 19879 669 1 3 . 1 1 23 23 THR HA H 23 3.770 3.770 4.081 -0.311 19879 670 1 3 . 1 1 23 23 THR CA C 23 65.649 65.649 65.123 0.526 19879 671 1 3 . 1 1 23 23 THR CB C 23 67.525 67.525 68.547 -1.022 19879 672 1 3 . 1 1 23 23 THR H H 23 8.130 8.130 8.084 0.046 19879 673 1 3 . 1 1 24 24 LYS N N 24 121.423 121.423 122.233 -0.810 19879 674 1 3 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.207 -0.043 19879 675 1 3 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.858 -1.075 19879 676 1 3 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.721 -1.292 19879 677 1 3 . 1 1 24 24 LYS H H 24 7.410 7.410 7.797 -0.387 19879 678 1 3 . 1 1 25 25 ILE N N 25 118.727 118.727 116.205 2.522 19879 679 1 3 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.804 -0.356 19879 680 1 3 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.761 0.178 19879 681 1 3 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.866 -0.718 19879 682 1 3 . 1 1 25 25 ILE H H 25 7.255 7.255 7.339 -0.084 19879 683 1 3 . 1 1 26 26 LEU N N 26 117.967 117.967 121.728 -3.761 19879 684 1 3 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.860 -0.127 19879 685 1 3 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.540 -0.956 19879 686 1 3 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.737 -0.867 19879 687 1 3 . 1 1 26 26 LEU H H 26 7.893 7.893 7.610 0.283 19879 688 1 3 . 1 1 27 27 GLU N N 27 117.202 117.202 118.535 -1.333 19879 689 1 3 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.986 -0.190 19879 690 1 3 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.669 -0.687 19879 691 1 3 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.324 -0.550 19879 692 1 3 . 1 1 27 27 GLU H H 27 7.851 7.851 7.772 0.079 19879 693 1 3 . 1 1 28 28 GLU N N 28 119.243 119.243 118.582 0.661 19879 694 1 3 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.149 -0.022 19879 695 1 3 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.256 -1.039 19879 696 1 3 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.510 -1.311 19879 697 1 3 . 1 1 28 28 GLU H H 28 7.597 7.597 7.861 -0.264 19879 698 1 3 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.091 -0.216 19879 699 1 3 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.876 -0.433 19879 700 1 3 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.270 -1.460 19879 701 1 3 . 1 1 30 30 LEU N N 30 121.505 121.505 118.529 2.976 19879 702 1 3 . 1 1 30 30 LEU HA H 30 4.115 4.115 3.943 0.172 19879 703 1 3 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.451 0.408 19879 704 1 3 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.755 -0.490 19879 705 1 3 . 1 1 30 30 LEU H H 30 8.508 8.508 7.591 0.917 19879 706 1 3 . 1 1 31 31 ARG N N 31 120.484 120.484 118.912 1.572 19879 707 1 3 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.088 -0.039 19879 708 1 3 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.443 0.027 19879 709 1 3 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.041 -0.668 19879 710 1 3 . 1 1 31 31 ARG H H 31 8.274 8.274 7.624 0.650 19879 711 1 3 . 1 1 32 32 ARG N N 32 114.502 114.502 117.183 -2.681 19879 712 1 3 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.410 0.043 19879 713 1 3 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.026 -2.364 19879 714 1 3 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.765 -1.264 19879 715 1 3 . 1 1 32 32 ARG H H 32 7.291 7.291 7.663 -0.372 19879 716 1 3 . 1 1 33 33 GLY N N 33 108.310 108.310 107.880 0.430 19879 717 1 3 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.315 0.276 19879 718 1 3 . 1 1 33 33 GLY H H 33 8.134 8.134 7.617 0.517 19879 719 1 3 . 1 1 34 34 LEU N N 34 117.715 117.715 118.995 -1.280 19879 720 1 3 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.532 -0.127 19879 721 1 3 . 1 1 34 34 LEU CA C 34 53.328 53.328 54.884 -1.556 19879 722 1 3 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.049 -1.519 19879 723 1 3 . 1 1 34 34 LEU H H 34 8.121 8.121 7.634 0.487 19879 724 1 3 . 1 1 35 35 LEU N N 35 119.920 119.920 120.720 -0.800 19879 725 1 3 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.714 -0.149 19879 726 1 3 . 1 1 35 35 LEU CA C 35 52.823 52.823 54.038 -1.215 19879 727 1 3 . 1 1 35 35 LEU CB C 35 46.726 46.726 43.851 2.875 19879 728 1 3 . 1 1 35 35 LEU H H 35 7.219 7.219 7.687 -0.468 19879 729 1 3 . 1 1 36 36 THR N N 36 115.405 115.405 115.509 -0.104 19879 730 1 3 . 1 1 36 36 THR HA H 36 4.743 4.743 4.861 -0.117 19879 731 1 3 . 1 1 36 36 THR CA C 36 59.034 59.034 58.474 0.560 19879 732 1 3 . 1 1 36 36 THR CB C 36 68.143 68.143 69.170 -1.027 19879 733 1 3 . 1 1 36 36 THR H H 36 8.948 8.948 8.469 0.479 19879 734 1 3 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.374 -0.287 19879 735 1 3 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.292 -0.185 19879 736 1 3 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.648 -0.811 19879 737 1 3 . 1 1 38 38 ALA N N 38 119.090 119.090 120.375 -1.285 19879 738 1 3 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.199 -0.099 19879 739 1 3 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.846 -0.559 19879 740 1 3 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.320 -0.631 19879 741 1 3 . 1 1 38 38 ALA H H 38 7.975 7.975 8.331 -0.356 19879 742 1 3 . 1 1 39 39 GLU N N 39 120.475 120.475 118.594 1.881 19879 743 1 3 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.337 -0.552 19879 744 1 3 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.416 -0.132 19879 745 1 3 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.777 -0.521 19879 746 1 3 . 1 1 39 39 GLU H H 39 7.592 7.592 7.947 -0.355 19879 747 1 3 . 1 1 40 40 LEU N N 40 118.126 118.126 121.789 -3.663 19879 748 1 3 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.979 -0.152 19879 749 1 3 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.221 -0.202 19879 750 1 3 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.113 -1.169 19879 751 1 3 . 1 1 40 40 LEU H H 40 7.878 7.878 8.434 -0.556 19879 752 1 3 . 1 1 41 41 GLN N N 41 116.956 116.956 115.526 1.430 19879 753 1 3 . 1 1 41 41 GLN HA H 41 3.711 3.711 4.031 -0.320 19879 754 1 3 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.309 -0.749 19879 755 1 3 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.101 -0.567 19879 756 1 3 . 1 1 41 41 GLN H H 41 7.957 7.957 7.923 0.034 19879 757 1 3 . 1 1 42 42 GLU N N 42 117.014 117.014 120.856 -3.842 19879 758 1 3 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.152 -0.117 19879 759 1 3 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.098 -0.233 19879 760 1 3 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.738 -0.639 19879 761 1 3 . 1 1 42 42 GLU H H 42 7.676 7.676 7.524 0.152 19879 762 1 3 . 1 1 43 43 VAL N N 43 116.546 116.546 118.981 -2.435 19879 763 1 3 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.861 -0.193 19879 764 1 3 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.097 0.497 19879 765 1 3 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.948 -1.329 19879 766 1 3 . 1 1 43 43 VAL H H 43 7.566 7.566 7.520 0.046 19879 767 1 3 . 1 1 44 44 LEU N N 44 118.168 118.168 117.869 0.299 19879 768 1 3 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.268 -0.323 19879 769 1 3 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.480 -0.116 19879 770 1 3 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.384 -1.836 19879 771 1 3 . 1 1 44 44 LEU H H 44 8.199 8.199 7.970 0.229 19879 772 1 3 . 1 1 45 45 ASP N N 45 116.834 116.834 118.256 -1.422 19879 773 1 3 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.548 -0.070 19879 774 1 3 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.415 -1.681 19879 775 1 3 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.848 -1.292 19879 776 1 3 . 1 1 45 45 ASP H H 45 7.776 7.776 7.588 0.188 19879 777 1 3 . 1 1 46 46 LEU N N 46 121.360 121.360 117.796 3.564 19879 778 1 3 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.426 0.016 19879 779 1 3 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.147 -1.088 19879 780 1 3 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.465 -1.317 19879 781 1 3 . 1 1 46 46 LEU H H 46 7.548 7.548 7.390 0.158 19879 782 1 3 . 1 1 47 47 LYS N N 47 116.693 116.693 119.554 -2.861 19879 783 1 3 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.421 -0.244 19879 784 1 3 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.850 1.609 19879 785 1 3 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.767 0.018 19879 786 1 3 . 1 1 47 47 LYS H H 47 8.586 8.586 8.488 0.098 19879 787 1 3 . 1 1 48 48 THR N N 48 107.567 107.567 114.248 -6.681 19879 788 1 3 . 1 1 48 48 THR HA H 48 5.013 5.013 4.723 0.290 19879 789 1 3 . 1 1 48 48 THR CA C 48 57.421 57.421 59.158 -1.738 19879 790 1 3 . 1 1 48 48 THR CB C 48 69.457 69.457 68.593 0.864 19879 791 1 3 . 1 1 48 48 THR H H 48 7.459 7.459 7.622 -0.163 19879 792 1 3 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.203 0.133 19879 793 1 3 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.439 -1.272 19879 794 1 3 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.856 -0.608 19879 795 1 3 . 1 1 50 50 GLU N N 50 117.217 117.217 116.636 0.581 19879 796 1 3 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.978 -0.160 19879 797 1 3 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.910 0.195 19879 798 1 3 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.995 -0.891 19879 799 1 3 . 1 1 50 50 GLU H H 50 9.036 9.036 8.842 0.194 19879 800 1 3 . 1 1 51 51 GLU N N 51 117.482 117.482 119.596 -2.114 19879 801 1 3 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.094 -0.183 19879 802 1 3 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.074 -0.467 19879 803 1 3 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.429 1.175 19879 804 1 3 . 1 1 51 51 GLU H H 51 7.561 7.561 7.817 -0.256 19879 805 1 3 . 1 1 52 52 GLN N N 52 118.967 118.967 119.019 -0.052 19879 806 1 3 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.947 -0.158 19879 807 1 3 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.100 -0.130 19879 808 1 3 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.626 -1.104 19879 809 1 3 . 1 1 52 52 GLN H H 52 8.125 8.125 8.138 -0.013 19879 810 1 3 . 1 1 53 53 ALA N N 53 119.946 119.946 121.447 -1.501 19879 811 1 3 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.969 -0.222 19879 812 1 3 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.150 -0.391 19879 813 1 3 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.273 0.080 19879 814 1 3 . 1 1 53 53 ALA H H 53 8.698 8.698 7.759 0.939 19879 815 1 3 . 1 1 54 54 LYS N N 54 115.558 115.558 117.663 -2.105 19879 816 1 3 . 1 1 54 54 LYS HA H 54 3.692 3.692 4.006 -0.314 19879 817 1 3 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.437 -0.301 19879 818 1 3 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.240 -0.447 19879 819 1 3 . 1 1 54 54 LYS H H 54 7.647 7.647 7.639 0.008 19879 820 1 3 . 1 1 55 55 LYS N N 55 119.514 119.514 119.347 0.167 19879 821 1 3 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.206 -0.354 19879 822 1 3 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.656 -2.287 19879 823 1 3 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.304 -2.203 19879 824 1 3 . 1 1 55 55 LYS H H 55 7.593 7.593 7.940 -0.347 19879 825 1 3 . 1 1 56 56 LEU N N 56 118.162 118.162 121.407 -3.245 19879 826 1 3 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.048 -0.213 19879 827 1 3 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.077 -0.196 19879 828 1 3 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.219 -1.157 19879 829 1 3 . 1 1 56 56 LEU H H 56 8.035 8.035 7.449 0.586 19879 830 1 3 . 1 1 57 57 ILE N N 57 116.360 116.360 118.877 -2.517 19879 831 1 3 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.591 -0.059 19879 832 1 3 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.692 -3.085 19879 833 1 3 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.711 -2.519 19879 834 1 3 . 1 1 57 57 ILE H H 57 7.769 7.769 7.703 0.066 19879 835 1 3 . 1 1 58 58 ASP N N 58 121.683 121.683 119.830 1.853 19879 836 1 3 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.474 -0.238 19879 837 1 3 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.606 -0.526 19879 838 1 3 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.743 -0.746 19879 839 1 3 . 1 1 58 58 ASP H H 58 7.859 7.859 8.017 -0.158 19879 840 1 3 . 1 1 59 59 PHE N N 59 115.587 115.587 118.085 -2.498 19879 841 1 3 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.343 0.107 19879 842 1 3 . 1 1 59 59 PHE CA C 59 57.353 57.353 61.208 -3.855 19879 843 1 3 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.951 -3.201 19879 844 1 3 . 1 1 59 59 PHE H H 59 7.968 7.968 7.556 0.412 19879 845 1 3 . 1 1 60 60 ILE N N 60 117.997 117.997 115.481 2.516 19879 846 1 3 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.210 -0.426 19879 847 1 3 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.273 0.552 19879 848 1 3 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.173 -0.236 19879 849 1 3 . 1 1 60 60 ILE H H 60 7.787 7.787 7.686 0.101 19879 850 1 3 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.208 -0.075 19879 851 1 3 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.940 -0.479 19879 852 1 3 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.072 -2.083 19879 853 1 4 . 1 1 2 2 THR N N 2 116.344 116.344 115.339 1.005 19879 854 1 4 . 1 1 2 2 THR HA H 2 4.607 4.607 4.800 -0.193 19879 855 1 4 . 1 1 2 2 THR CA C 2 59.469 59.469 59.303 0.166 19879 856 1 4 . 1 1 2 2 THR CB C 2 67.629 67.629 69.844 -2.215 19879 857 1 4 . 1 1 2 2 THR H H 2 8.950 8.950 7.745 1.205 19879 858 1 4 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.258 -0.083 19879 859 1 4 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.734 0.449 19879 860 1 4 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.167 -1.201 19879 861 1 4 . 1 1 4 4 GLU N N 4 116.437 116.437 117.941 -1.504 19879 862 1 4 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.194 -0.178 19879 863 1 4 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.502 0.324 19879 864 1 4 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.495 -1.231 19879 865 1 4 . 1 1 4 4 GLU H H 4 8.943 8.943 8.620 0.323 19879 866 1 4 . 1 1 5 5 GLN N N 5 120.183 120.183 118.580 1.603 19879 867 1 4 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.348 -0.604 19879 868 1 4 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.892 0.207 19879 869 1 4 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.845 -1.004 19879 870 1 4 . 1 1 5 5 GLN H H 5 7.708 7.708 8.403 -0.695 19879 871 1 4 . 1 1 6 6 ARG N N 6 119.108 119.108 118.110 0.998 19879 872 1 4 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.196 -0.106 19879 873 1 4 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.234 0.724 19879 874 1 4 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.192 -1.013 19879 875 1 4 . 1 1 6 6 ARG H H 6 8.391 8.391 7.921 0.470 19879 876 1 4 . 1 1 7 7 GLU N N 7 116.726 116.726 117.733 -1.007 19879 877 1 4 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.165 -0.070 19879 878 1 4 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.805 -0.451 19879 879 1 4 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.211 -1.070 19879 880 1 4 . 1 1 7 7 GLU H H 7 8.000 8.000 7.727 0.273 19879 881 1 4 . 1 1 8 8 PHE N N 8 119.217 119.217 116.762 2.455 19879 882 1 4 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.735 -0.075 19879 883 1 4 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.044 -0.988 19879 884 1 4 . 1 1 8 8 PHE CB C 8 40.736 40.736 41.345 -0.609 19879 885 1 4 . 1 1 8 8 PHE H H 8 7.706 7.706 7.698 0.008 19879 886 1 4 . 1 1 9 9 LEU N N 9 119.532 119.532 122.490 -2.958 19879 887 1 4 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.488 -0.496 19879 888 1 4 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.813 -1.187 19879 889 1 4 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.289 -0.995 19879 890 1 4 . 1 1 9 9 LEU H H 9 7.840 7.840 7.839 0.001 19879 891 1 4 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.311 -0.206 19879 892 1 4 . 1 1 10 10 PRO CA C 10 65.682 65.682 64.923 0.759 19879 893 1 4 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.127 -0.638 19879 894 1 4 . 1 1 11 11 GLU N N 11 116.603 116.603 117.613 -1.010 19879 895 1 4 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.223 -0.244 19879 896 1 4 . 1 1 11 11 GLU CA C 11 58.338 58.338 59.052 -0.714 19879 897 1 4 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.870 -1.506 19879 898 1 4 . 1 1 11 11 GLU H H 11 8.019 8.019 8.446 -0.427 19879 899 1 4 . 1 1 12 12 ILE N N 12 120.060 120.060 117.612 2.448 19879 900 1 4 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.078 -0.756 19879 901 1 4 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.188 1.337 19879 902 1 4 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.788 -0.670 19879 903 1 4 . 1 1 12 12 ILE H H 12 7.398 7.398 7.379 0.019 19879 904 1 4 . 1 1 13 13 LEU N N 13 117.822 117.822 121.135 -3.313 19879 905 1 4 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.874 -0.173 19879 906 1 4 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.485 -1.126 19879 907 1 4 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.638 -1.106 19879 908 1 4 . 1 1 13 13 LEU H H 13 7.492 7.492 7.757 -0.265 19879 909 1 4 . 1 1 14 14 ALA N N 14 118.447 118.447 119.495 -1.048 19879 910 1 4 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.015 -0.064 19879 911 1 4 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.099 -0.934 19879 912 1 4 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.149 -0.913 19879 913 1 4 . 1 1 14 14 ALA H H 14 8.038 8.038 7.854 0.184 19879 914 1 4 . 1 1 15 15 GLU N N 15 117.320 117.320 117.469 -0.149 19879 915 1 4 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.170 -0.078 19879 916 1 4 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.327 -0.834 19879 917 1 4 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.677 -1.230 19879 918 1 4 . 1 1 15 15 GLU H H 15 7.085 7.085 7.743 -0.658 19879 919 1 4 . 1 1 16 16 ILE N N 16 116.223 116.223 118.232 -2.009 19879 920 1 4 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.051 -0.443 19879 921 1 4 . 1 1 16 16 ILE CA C 16 64.020 64.020 63.133 0.887 19879 922 1 4 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.850 -1.128 19879 923 1 4 . 1 1 16 16 ILE H H 16 7.331 7.331 7.345 -0.014 19879 924 1 4 . 1 1 17 17 ILE N N 17 116.602 116.602 119.976 -3.374 19879 925 1 4 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.788 -0.140 19879 926 1 4 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.665 -1.386 19879 927 1 4 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.965 -0.506 19879 928 1 4 . 1 1 17 17 ILE H H 17 8.214 8.214 7.507 0.707 19879 929 1 4 . 1 1 18 18 ALA N N 18 119.329 119.329 120.481 -1.152 19879 930 1 4 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.331 -0.151 19879 931 1 4 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.386 0.350 19879 932 1 4 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.193 -0.619 19879 933 1 4 . 1 1 18 18 ALA H H 18 8.056 8.056 7.874 0.182 19879 934 1 4 . 1 1 19 19 ASN N N 19 110.910 110.910 115.639 -4.729 19879 935 1 4 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.856 0.166 19879 936 1 4 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.865 0.724 19879 937 1 4 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.991 1.103 19879 938 1 4 . 1 1 19 19 ASN H H 19 7.295 7.295 7.790 -0.495 19879 939 1 4 . 1 1 20 20 LEU N N 20 119.881 119.881 121.241 -1.360 19879 940 1 4 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.642 0.081 19879 941 1 4 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.651 -1.164 19879 942 1 4 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.461 -0.652 19879 943 1 4 . 1 1 20 20 LEU H H 20 8.134 8.134 7.344 0.790 19879 944 1 4 . 1 1 21 21 ASP N N 21 119.289 119.289 124.394 -5.105 19879 945 1 4 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.059 0.056 19879 946 1 4 . 1 1 21 21 ASP CA C 21 49.573 49.573 52.078 -2.505 19879 947 1 4 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.176 -0.924 19879 948 1 4 . 1 1 21 21 ASP H H 21 8.081 8.081 8.539 -0.458 19879 949 1 4 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.228 -0.292 19879 950 1 4 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.733 -0.382 19879 951 1 4 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.891 -0.364 19879 952 1 4 . 1 1 23 23 THR N N 23 109.956 109.956 111.558 -1.602 19879 953 1 4 . 1 1 23 23 THR HA H 23 3.770 3.770 4.093 -0.323 19879 954 1 4 . 1 1 23 23 THR CA C 23 65.649 65.649 65.308 0.341 19879 955 1 4 . 1 1 23 23 THR CB C 23 67.525 67.525 68.519 -0.994 19879 956 1 4 . 1 1 23 23 THR H H 23 8.130 8.130 8.207 -0.077 19879 957 1 4 . 1 1 24 24 LYS N N 24 121.423 121.423 121.500 -0.077 19879 958 1 4 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.216 -0.052 19879 959 1 4 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.934 -1.151 19879 960 1 4 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.694 -1.265 19879 961 1 4 . 1 1 24 24 LYS H H 24 7.410 7.410 7.794 -0.384 19879 962 1 4 . 1 1 25 25 ILE N N 25 118.727 118.727 115.821 2.906 19879 963 1 4 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.868 -0.420 19879 964 1 4 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.766 0.173 19879 965 1 4 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.869 -0.721 19879 966 1 4 . 1 1 25 25 ILE H H 25 7.255 7.255 7.453 -0.198 19879 967 1 4 . 1 1 26 26 LEU N N 26 117.967 117.967 121.399 -3.432 19879 968 1 4 . 1 1 26 26 LEU HA H 26 3.733 3.733 4.010 -0.277 19879 969 1 4 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.313 -0.729 19879 970 1 4 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.956 -1.086 19879 971 1 4 . 1 1 26 26 LEU H H 26 7.893 7.893 7.491 0.402 19879 972 1 4 . 1 1 27 27 GLU N N 27 117.202 117.202 117.738 -0.536 19879 973 1 4 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.982 -0.186 19879 974 1 4 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.392 -0.410 19879 975 1 4 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.095 -0.321 19879 976 1 4 . 1 1 27 27 GLU H H 27 7.851 7.851 7.767 0.084 19879 977 1 4 . 1 1 28 28 GLU N N 28 119.243 119.243 118.964 0.279 19879 978 1 4 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.080 0.047 19879 979 1 4 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.801 -1.584 19879 980 1 4 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.410 -1.211 19879 981 1 4 . 1 1 28 28 GLU H H 28 7.597 7.597 7.726 -0.129 19879 982 1 4 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.097 -0.222 19879 983 1 4 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.170 0.272 19879 984 1 4 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.092 -1.281 19879 985 1 4 . 1 1 30 30 LEU N N 30 121.505 121.505 118.571 2.934 19879 986 1 4 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.029 0.086 19879 987 1 4 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.197 0.662 19879 988 1 4 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.677 -0.411 19879 989 1 4 . 1 1 30 30 LEU H H 30 8.508 8.508 7.613 0.895 19879 990 1 4 . 1 1 31 31 ARG N N 31 120.484 120.484 117.565 2.919 19879 991 1 4 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.134 -0.085 19879 992 1 4 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.210 0.259 19879 993 1 4 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.278 -0.905 19879 994 1 4 . 1 1 31 31 ARG H H 31 8.274 8.274 7.599 0.675 19879 995 1 4 . 1 1 32 32 ARG N N 32 114.502 114.502 117.022 -2.520 19879 996 1 4 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.470 -0.017 19879 997 1 4 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.049 -2.387 19879 998 1 4 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.234 -0.733 19879 999 1 4 . 1 1 32 32 ARG H H 32 7.291 7.291 7.485 -0.194 19879 1000 1 4 . 1 1 33 33 GLY N N 33 108.310 108.310 108.785 -0.475 19879 1001 1 4 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.397 0.194 19879 1002 1 4 . 1 1 33 33 GLY H H 33 8.134 8.134 7.560 0.574 19879 1003 1 4 . 1 1 34 34 LEU N N 34 117.715 117.715 119.878 -2.163 19879 1004 1 4 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.356 0.049 19879 1005 1 4 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.506 -2.178 19879 1006 1 4 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.688 -1.158 19879 1007 1 4 . 1 1 34 34 LEU H H 34 8.121 8.121 7.639 0.482 19879 1008 1 4 . 1 1 35 35 LEU N N 35 119.920 119.920 118.987 0.933 19879 1009 1 4 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.532 0.033 19879 1010 1 4 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.827 -1.004 19879 1011 1 4 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.418 2.308 19879 1012 1 4 . 1 1 35 35 LEU H H 35 7.219 7.219 7.293 -0.074 19879 1013 1 4 . 1 1 36 36 THR N N 36 115.405 115.405 115.519 -0.114 19879 1014 1 4 . 1 1 36 36 THR HA H 36 4.743 4.743 4.761 -0.018 19879 1015 1 4 . 1 1 36 36 THR CA C 36 59.034 59.034 58.458 0.576 19879 1016 1 4 . 1 1 36 36 THR CB C 36 68.143 68.143 69.126 -0.983 19879 1017 1 4 . 1 1 36 36 THR H H 36 8.948 8.948 8.134 0.814 19879 1018 1 4 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.311 -0.224 19879 1019 1 4 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.121 -0.013 19879 1020 1 4 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.363 -0.526 19879 1021 1 4 . 1 1 38 38 ALA N N 38 119.090 119.090 120.015 -0.925 19879 1022 1 4 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.174 -0.074 19879 1023 1 4 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.895 -0.608 19879 1024 1 4 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.385 -0.696 19879 1025 1 4 . 1 1 38 38 ALA H H 38 7.975 7.975 8.347 -0.372 19879 1026 1 4 . 1 1 39 39 GLU N N 39 120.475 120.475 118.994 1.481 19879 1027 1 4 . 1 1 39 39 GLU HA H 39 3.785 3.785 3.996 -0.211 19879 1028 1 4 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.726 -0.442 19879 1029 1 4 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.297 -0.041 19879 1030 1 4 . 1 1 39 39 GLU H H 39 7.592 7.592 7.563 0.029 19879 1031 1 4 . 1 1 40 40 LEU N N 40 118.126 118.126 121.065 -2.939 19879 1032 1 4 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.903 -0.076 19879 1033 1 4 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.187 -0.168 19879 1034 1 4 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.158 -1.214 19879 1035 1 4 . 1 1 40 40 LEU H H 40 7.878 7.878 7.832 0.046 19879 1036 1 4 . 1 1 41 41 GLN N N 41 116.956 116.956 117.443 -0.487 19879 1037 1 4 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.925 -0.214 19879 1038 1 4 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.734 -1.174 19879 1039 1 4 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.360 -0.826 19879 1040 1 4 . 1 1 41 41 GLN H H 41 7.957 7.957 8.145 -0.188 19879 1041 1 4 . 1 1 42 42 GLU N N 42 117.014 117.014 119.265 -2.251 19879 1042 1 4 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.131 -0.096 19879 1043 1 4 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.140 -0.275 19879 1044 1 4 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.916 -0.817 19879 1045 1 4 . 1 1 42 42 GLU H H 42 7.676 7.676 7.651 0.025 19879 1046 1 4 . 1 1 43 43 VAL N N 43 116.546 116.546 119.526 -2.980 19879 1047 1 4 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.952 -0.284 19879 1048 1 4 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.345 1.249 19879 1049 1 4 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.642 -1.023 19879 1050 1 4 . 1 1 43 43 VAL H H 43 7.566 7.566 7.511 0.055 19879 1051 1 4 . 1 1 44 44 LEU N N 44 118.168 118.168 118.323 -0.155 19879 1052 1 4 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.283 -0.338 19879 1053 1 4 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.406 -0.042 19879 1054 1 4 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.168 -1.620 19879 1055 1 4 . 1 1 44 44 LEU H H 44 8.199 8.199 8.243 -0.044 19879 1056 1 4 . 1 1 45 45 ASP N N 45 116.834 116.834 118.048 -1.214 19879 1057 1 4 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.591 -0.113 19879 1058 1 4 . 1 1 45 45 ASP CA C 45 54.734 54.734 57.002 -2.268 19879 1059 1 4 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.758 -1.202 19879 1060 1 4 . 1 1 45 45 ASP H H 45 7.776 7.776 7.375 0.401 19879 1061 1 4 . 1 1 46 46 LEU N N 46 121.360 121.360 117.403 3.957 19879 1062 1 4 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.349 0.092 19879 1063 1 4 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.108 -1.049 19879 1064 1 4 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.267 -1.119 19879 1065 1 4 . 1 1 46 46 LEU H H 46 7.548 7.548 7.285 0.263 19879 1066 1 4 . 1 1 47 47 LYS N N 47 116.693 116.693 120.283 -3.590 19879 1067 1 4 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.486 -0.309 19879 1068 1 4 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.028 1.431 19879 1069 1 4 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.596 0.189 19879 1070 1 4 . 1 1 47 47 LYS H H 47 8.586 8.586 8.590 -0.004 19879 1071 1 4 . 1 1 48 48 THR N N 48 107.567 107.567 113.638 -6.071 19879 1072 1 4 . 1 1 48 48 THR HA H 48 5.013 5.013 4.743 0.270 19879 1073 1 4 . 1 1 48 48 THR CA C 48 57.421 57.421 58.799 -1.378 19879 1074 1 4 . 1 1 48 48 THR CB C 48 69.457 69.457 68.544 0.913 19879 1075 1 4 . 1 1 48 48 THR H H 48 7.459 7.459 7.562 -0.103 19879 1076 1 4 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.161 0.175 19879 1077 1 4 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.401 -1.234 19879 1078 1 4 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.861 -0.613 19879 1079 1 4 . 1 1 50 50 GLU N N 50 117.217 117.217 116.533 0.684 19879 1080 1 4 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.981 -0.163 19879 1081 1 4 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.849 0.257 19879 1082 1 4 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.008 -0.904 19879 1083 1 4 . 1 1 50 50 GLU H H 50 9.036 9.036 8.850 0.186 19879 1084 1 4 . 1 1 51 51 GLU N N 51 117.482 117.482 119.623 -2.141 19879 1085 1 4 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.073 -0.162 19879 1086 1 4 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.028 -0.421 19879 1087 1 4 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.413 1.190 19879 1088 1 4 . 1 1 51 51 GLU H H 51 7.561 7.561 7.793 -0.232 19879 1089 1 4 . 1 1 52 52 GLN N N 52 118.967 118.967 119.197 -0.230 19879 1090 1 4 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.981 -0.192 19879 1091 1 4 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.238 -0.268 19879 1092 1 4 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.635 -1.113 19879 1093 1 4 . 1 1 52 52 GLN H H 52 8.125 8.125 8.131 -0.006 19879 1094 1 4 . 1 1 53 53 ALA N N 53 119.946 119.946 121.054 -1.108 19879 1095 1 4 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.997 -0.250 19879 1096 1 4 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.093 -0.334 19879 1097 1 4 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.261 0.093 19879 1098 1 4 . 1 1 53 53 ALA H H 53 8.698 8.698 7.723 0.975 19879 1099 1 4 . 1 1 54 54 LYS N N 54 115.558 115.558 118.128 -2.570 19879 1100 1 4 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.958 -0.266 19879 1101 1 4 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.243 -0.107 19879 1102 1 4 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.318 -0.525 19879 1103 1 4 . 1 1 54 54 LYS H H 54 7.647 7.647 7.565 0.082 19879 1104 1 4 . 1 1 55 55 LYS N N 55 119.514 119.514 119.398 0.116 19879 1105 1 4 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.863 -0.011 19879 1106 1 4 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.857 -2.488 19879 1107 1 4 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.234 -2.133 19879 1108 1 4 . 1 1 55 55 LYS H H 55 7.593 7.593 7.847 -0.254 19879 1109 1 4 . 1 1 56 56 LEU N N 56 118.162 118.162 121.121 -2.959 19879 1110 1 4 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.134 -0.299 19879 1111 1 4 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.355 -0.474 19879 1112 1 4 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.121 -1.059 19879 1113 1 4 . 1 1 56 56 LEU H H 56 8.035 8.035 7.562 0.473 19879 1114 1 4 . 1 1 57 57 ILE N N 57 116.360 116.360 118.081 -1.721 19879 1115 1 4 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.574 -0.042 19879 1116 1 4 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.261 -2.654 19879 1117 1 4 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.476 -2.284 19879 1118 1 4 . 1 1 57 57 ILE H H 57 7.769 7.769 7.652 0.117 19879 1119 1 4 . 1 1 58 58 ASP N N 58 121.683 121.683 119.148 2.535 19879 1120 1 4 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.392 -0.156 19879 1121 1 4 . 1 1 58 58 ASP CA C 58 57.080 57.080 56.878 0.202 19879 1122 1 4 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.528 -0.531 19879 1123 1 4 . 1 1 58 58 ASP H H 58 7.859 7.859 7.863 -0.004 19879 1124 1 4 . 1 1 59 59 PHE N N 59 115.587 115.587 117.091 -1.504 19879 1125 1 4 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.486 -0.036 19879 1126 1 4 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.734 -2.381 19879 1127 1 4 . 1 1 59 59 PHE CB C 59 36.750 36.750 40.177 -3.427 19879 1128 1 4 . 1 1 59 59 PHE H H 59 7.968 7.968 7.573 0.395 19879 1129 1 4 . 1 1 60 60 ILE N N 60 117.997 117.997 115.328 2.669 19879 1130 1 4 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.199 -0.415 19879 1131 1 4 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.409 0.416 19879 1132 1 4 . 1 1 60 60 ILE CB C 60 37.937 37.937 37.959 -0.022 19879 1133 1 4 . 1 1 60 60 ILE H H 60 7.787 7.787 8.006 -0.219 19879 1134 1 4 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.123 0.010 19879 1135 1 4 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.455 -0.994 19879 1136 1 4 . 1 1 61 61 LEU CB C 61 39.989 39.989 41.993 -2.004 19879 1137 1 5 . 1 1 2 2 THR N N 2 116.344 116.344 113.869 2.475 19879 1138 1 5 . 1 1 2 2 THR HA H 2 4.607 4.607 4.831 -0.224 19879 1139 1 5 . 1 1 2 2 THR CA C 2 59.469 59.469 58.717 0.752 19879 1140 1 5 . 1 1 2 2 THR CB C 2 67.629 67.629 71.090 -3.461 19879 1141 1 5 . 1 1 2 2 THR H H 2 8.950 8.950 7.963 0.987 19879 1142 1 5 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.277 -0.102 19879 1143 1 5 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.945 0.238 19879 1144 1 5 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.067 -1.101 19879 1145 1 5 . 1 1 4 4 GLU N N 4 116.437 116.437 116.705 -0.268 19879 1146 1 5 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.235 -0.219 19879 1147 1 5 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.667 0.159 19879 1148 1 5 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.165 -0.901 19879 1149 1 5 . 1 1 4 4 GLU H H 4 8.943 8.943 8.786 0.157 19879 1150 1 5 . 1 1 5 5 GLN N N 5 120.183 120.183 118.264 1.919 19879 1151 1 5 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.408 -0.664 19879 1152 1 5 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.568 0.531 19879 1153 1 5 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.185 -1.344 19879 1154 1 5 . 1 1 5 5 GLN H H 5 7.708 7.708 7.773 -0.065 19879 1155 1 5 . 1 1 6 6 ARG N N 6 119.108 119.108 116.925 2.183 19879 1156 1 5 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.185 -0.095 19879 1157 1 5 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.173 0.786 19879 1158 1 5 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.253 -1.074 19879 1159 1 5 . 1 1 6 6 ARG H H 6 8.391 8.391 7.607 0.784 19879 1160 1 5 . 1 1 7 7 GLU N N 7 116.726 116.726 117.565 -0.839 19879 1161 1 5 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.290 -0.195 19879 1162 1 5 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.032 -0.678 19879 1163 1 5 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.433 -1.292 19879 1164 1 5 . 1 1 7 7 GLU H H 7 8.000 8.000 7.480 0.520 19879 1165 1 5 . 1 1 8 8 PHE N N 8 119.217 119.217 116.901 2.316 19879 1166 1 5 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.846 -0.186 19879 1167 1 5 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.631 -1.576 19879 1168 1 5 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.779 0.957 19879 1169 1 5 . 1 1 8 8 PHE H H 8 7.706 7.706 7.886 -0.180 19879 1170 1 5 . 1 1 9 9 LEU N N 9 119.532 119.532 122.183 -2.651 19879 1171 1 5 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.210 -0.218 19879 1172 1 5 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.756 -1.130 19879 1173 1 5 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.148 -0.855 19879 1174 1 5 . 1 1 9 9 LEU H H 9 7.840 7.840 7.582 0.258 19879 1175 1 5 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.272 -0.167 19879 1176 1 5 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.173 0.509 19879 1177 1 5 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.114 -0.625 19879 1178 1 5 . 1 1 11 11 GLU N N 11 116.603 116.603 116.915 -0.312 19879 1179 1 5 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.211 -0.232 19879 1180 1 5 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.745 -0.407 19879 1181 1 5 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.853 -1.489 19879 1182 1 5 . 1 1 11 11 GLU H H 11 8.019 8.019 8.540 -0.521 19879 1183 1 5 . 1 1 12 12 ILE N N 12 120.060 120.060 118.280 1.780 19879 1184 1 5 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.054 -0.732 19879 1185 1 5 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.280 1.245 19879 1186 1 5 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.711 -0.593 19879 1187 1 5 . 1 1 12 12 ILE H H 12 7.398 7.398 7.379 0.019 19879 1188 1 5 . 1 1 13 13 LEU N N 13 117.822 117.822 121.380 -3.558 19879 1189 1 5 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.858 -0.157 19879 1190 1 5 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.040 -0.681 19879 1191 1 5 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.560 -1.028 19879 1192 1 5 . 1 1 13 13 LEU H H 13 7.492 7.492 7.841 -0.349 19879 1193 1 5 . 1 1 14 14 ALA N N 14 118.447 118.447 120.036 -1.589 19879 1194 1 5 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.966 -0.016 19879 1195 1 5 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.989 -0.824 19879 1196 1 5 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.179 -0.943 19879 1197 1 5 . 1 1 14 14 ALA H H 14 8.038 8.038 7.612 0.426 19879 1198 1 5 . 1 1 15 15 GLU N N 15 117.320 117.320 116.432 0.888 19879 1199 1 5 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.164 -0.072 19879 1200 1 5 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.106 -0.614 19879 1201 1 5 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.780 -1.333 19879 1202 1 5 . 1 1 15 15 GLU H H 15 7.085 7.085 7.883 -0.798 19879 1203 1 5 . 1 1 16 16 ILE N N 16 116.223 116.223 118.508 -2.285 19879 1204 1 5 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.045 -0.437 19879 1205 1 5 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.453 1.567 19879 1206 1 5 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.028 -1.306 19879 1207 1 5 . 1 1 16 16 ILE H H 16 7.331 7.331 7.280 0.051 19879 1208 1 5 . 1 1 17 17 ILE N N 17 116.602 116.602 119.849 -3.247 19879 1209 1 5 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.824 -0.176 19879 1210 1 5 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.651 -1.372 19879 1211 1 5 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.978 -0.519 19879 1212 1 5 . 1 1 17 17 ILE H H 17 8.214 8.214 7.498 0.716 19879 1213 1 5 . 1 1 18 18 ALA N N 18 119.329 119.329 120.575 -1.246 19879 1214 1 5 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.329 -0.149 19879 1215 1 5 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.412 0.324 19879 1216 1 5 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.204 -0.631 19879 1217 1 5 . 1 1 18 18 ALA H H 18 8.056 8.056 7.820 0.236 19879 1218 1 5 . 1 1 19 19 ASN N N 19 110.910 110.910 115.474 -4.564 19879 1219 1 5 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.848 0.174 19879 1220 1 5 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.895 0.695 19879 1221 1 5 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.161 0.933 19879 1222 1 5 . 1 1 19 19 ASN H H 19 7.295 7.295 7.776 -0.481 19879 1223 1 5 . 1 1 20 20 LEU N N 20 119.881 119.881 121.008 -1.127 19879 1224 1 5 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.652 0.071 19879 1225 1 5 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.647 -1.160 19879 1226 1 5 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.910 -1.101 19879 1227 1 5 . 1 1 20 20 LEU H H 20 8.134 8.134 7.314 0.820 19879 1228 1 5 . 1 1 21 21 ASP N N 21 119.289 119.289 123.983 -4.694 19879 1229 1 5 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.064 0.051 19879 1230 1 5 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.964 -2.391 19879 1231 1 5 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.270 -1.018 19879 1232 1 5 . 1 1 21 21 ASP H H 21 8.081 8.081 8.489 -0.408 19879 1233 1 5 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.228 -0.292 19879 1234 1 5 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.895 -0.544 19879 1235 1 5 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.826 -0.299 19879 1236 1 5 . 1 1 23 23 THR N N 23 109.956 109.956 111.019 -1.063 19879 1237 1 5 . 1 1 23 23 THR HA H 23 3.770 3.770 4.137 -0.367 19879 1238 1 5 . 1 1 23 23 THR CA C 23 65.649 65.649 65.865 -0.216 19879 1239 1 5 . 1 1 23 23 THR CB C 23 67.525 67.525 68.472 -0.947 19879 1240 1 5 . 1 1 23 23 THR H H 23 8.130 8.130 8.104 0.026 19879 1241 1 5 . 1 1 24 24 LYS N N 24 121.423 121.423 122.317 -0.894 19879 1242 1 5 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.195 -0.031 19879 1243 1 5 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.902 -1.119 19879 1244 1 5 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.526 -1.097 19879 1245 1 5 . 1 1 24 24 LYS H H 24 7.410 7.410 7.796 -0.386 19879 1246 1 5 . 1 1 25 25 ILE N N 25 118.727 118.727 115.576 3.151 19879 1247 1 5 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.902 -0.454 19879 1248 1 5 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.669 0.270 19879 1249 1 5 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.884 -0.736 19879 1250 1 5 . 1 1 25 25 ILE H H 25 7.255 7.255 7.428 -0.173 19879 1251 1 5 . 1 1 26 26 LEU N N 26 117.967 117.967 121.588 -3.621 19879 1252 1 5 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.943 -0.210 19879 1253 1 5 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.417 -0.833 19879 1254 1 5 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.861 -0.991 19879 1255 1 5 . 1 1 26 26 LEU H H 26 7.893 7.893 7.573 0.320 19879 1256 1 5 . 1 1 27 27 GLU N N 27 117.202 117.202 118.596 -1.394 19879 1257 1 5 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.906 -0.110 19879 1258 1 5 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.748 -0.766 19879 1259 1 5 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.317 -0.543 19879 1260 1 5 . 1 1 27 27 GLU H H 27 7.851 7.851 7.715 0.136 19879 1261 1 5 . 1 1 28 28 GLU N N 28 119.243 119.243 118.835 0.408 19879 1262 1 5 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.133 -0.006 19879 1263 1 5 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.854 -1.637 19879 1264 1 5 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.312 -1.113 19879 1265 1 5 . 1 1 28 28 GLU H H 28 7.597 7.597 7.904 -0.307 19879 1266 1 5 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.086 -0.211 19879 1267 1 5 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.710 -0.268 19879 1268 1 5 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.110 -1.299 19879 1269 1 5 . 1 1 30 30 LEU N N 30 121.505 121.505 118.917 2.588 19879 1270 1 5 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.023 0.092 19879 1271 1 5 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.372 0.487 19879 1272 1 5 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.609 -0.343 19879 1273 1 5 . 1 1 30 30 LEU H H 30 8.508 8.508 7.680 0.828 19879 1274 1 5 . 1 1 31 31 ARG N N 31 120.484 120.484 118.276 2.208 19879 1275 1 5 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.070 -0.021 19879 1276 1 5 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.706 -0.237 19879 1277 1 5 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.085 -0.712 19879 1278 1 5 . 1 1 31 31 ARG H H 31 8.274 8.274 7.576 0.698 19879 1279 1 5 . 1 1 32 32 ARG N N 32 114.502 114.502 117.174 -2.672 19879 1280 1 5 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.393 0.060 19879 1281 1 5 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.063 -2.401 19879 1282 1 5 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.716 -1.215 19879 1283 1 5 . 1 1 32 32 ARG H H 32 7.291 7.291 7.796 -0.505 19879 1284 1 5 . 1 1 33 33 GLY N N 33 108.310 108.310 107.582 0.728 19879 1285 1 5 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.410 0.181 19879 1286 1 5 . 1 1 33 33 GLY H H 33 8.134 8.134 7.723 0.411 19879 1287 1 5 . 1 1 34 34 LEU N N 34 117.715 117.715 119.248 -1.533 19879 1288 1 5 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.477 -0.072 19879 1289 1 5 . 1 1 34 34 LEU CA C 34 53.328 53.328 54.895 -1.567 19879 1290 1 5 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.074 -1.544 19879 1291 1 5 . 1 1 34 34 LEU H H 34 8.121 8.121 7.845 0.276 19879 1292 1 5 . 1 1 35 35 LEU N N 35 119.920 119.920 120.025 -0.105 19879 1293 1 5 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.496 0.069 19879 1294 1 5 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.873 -1.050 19879 1295 1 5 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.093 2.633 19879 1296 1 5 . 1 1 35 35 LEU H H 35 7.219 7.219 7.586 -0.367 19879 1297 1 5 . 1 1 36 36 THR N N 36 115.405 115.405 115.125 0.280 19879 1298 1 5 . 1 1 36 36 THR HA H 36 4.743 4.743 4.796 -0.053 19879 1299 1 5 . 1 1 36 36 THR CA C 36 59.034 59.034 58.354 0.680 19879 1300 1 5 . 1 1 36 36 THR CB C 36 68.143 68.143 69.130 -0.987 19879 1301 1 5 . 1 1 36 36 THR H H 36 8.948 8.948 8.214 0.734 19879 1302 1 5 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.346 -0.259 19879 1303 1 5 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.019 0.088 19879 1304 1 5 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.591 -0.754 19879 1305 1 5 . 1 1 38 38 ALA N N 38 119.090 119.090 120.690 -1.600 19879 1306 1 5 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.177 -0.077 19879 1307 1 5 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.907 -0.620 19879 1308 1 5 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.389 -0.700 19879 1309 1 5 . 1 1 38 38 ALA H H 38 7.975 7.975 8.307 -0.332 19879 1310 1 5 . 1 1 39 39 GLU N N 39 120.475 120.475 118.913 1.562 19879 1311 1 5 . 1 1 39 39 GLU HA H 39 3.785 3.785 3.993 -0.208 19879 1312 1 5 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.501 -0.217 19879 1313 1 5 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.291 -0.035 19879 1314 1 5 . 1 1 39 39 GLU H H 39 7.592 7.592 7.564 0.028 19879 1315 1 5 . 1 1 40 40 LEU N N 40 118.126 118.126 121.327 -3.201 19879 1316 1 5 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.931 -0.104 19879 1317 1 5 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.164 -0.145 19879 1318 1 5 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.111 -1.167 19879 1319 1 5 . 1 1 40 40 LEU H H 40 7.878 7.878 8.016 -0.138 19879 1320 1 5 . 1 1 41 41 GLN N N 41 116.956 116.956 116.677 0.279 19879 1321 1 5 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.956 -0.245 19879 1322 1 5 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.828 -1.268 19879 1323 1 5 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.137 -0.603 19879 1324 1 5 . 1 1 41 41 GLN H H 41 7.957 7.957 8.111 -0.154 19879 1325 1 5 . 1 1 42 42 GLU N N 42 117.014 117.014 120.306 -3.292 19879 1326 1 5 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.170 -0.135 19879 1327 1 5 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.128 -0.263 19879 1328 1 5 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.777 -0.678 19879 1329 1 5 . 1 1 42 42 GLU H H 42 7.676 7.676 7.596 0.080 19879 1330 1 5 . 1 1 43 43 VAL N N 43 116.546 116.546 119.396 -2.850 19879 1331 1 5 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.878 -0.210 19879 1332 1 5 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.084 0.510 19879 1333 1 5 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.991 -1.372 19879 1334 1 5 . 1 1 43 43 VAL H H 43 7.566 7.566 7.521 0.045 19879 1335 1 5 . 1 1 44 44 LEU N N 44 118.168 118.168 118.307 -0.139 19879 1336 1 5 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.250 -0.305 19879 1337 1 5 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.624 -0.260 19879 1338 1 5 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.286 -1.738 19879 1339 1 5 . 1 1 44 44 LEU H H 44 8.199 8.199 8.222 -0.023 19879 1340 1 5 . 1 1 45 45 ASP N N 45 116.834 116.834 119.394 -2.560 19879 1341 1 5 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.482 -0.004 19879 1342 1 5 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.505 -1.771 19879 1343 1 5 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.568 -1.012 19879 1344 1 5 . 1 1 45 45 ASP H H 45 7.776 7.776 7.491 0.285 19879 1345 1 5 . 1 1 46 46 LEU N N 46 121.360 121.360 118.692 2.668 19879 1346 1 5 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.140 0.302 19879 1347 1 5 . 1 1 46 46 LEU CA C 46 54.059 54.059 56.005 -1.946 19879 1348 1 5 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.458 -1.311 19879 1349 1 5 . 1 1 46 46 LEU H H 46 7.548 7.548 7.510 0.038 19879 1350 1 5 . 1 1 47 47 LYS N N 47 116.693 116.693 119.276 -2.583 19879 1351 1 5 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.437 -0.260 19879 1352 1 5 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.455 1.004 19879 1353 1 5 . 1 1 47 47 LYS CB C 47 32.785 32.785 33.370 -0.585 19879 1354 1 5 . 1 1 47 47 LYS H H 47 8.586 8.586 8.447 0.139 19879 1355 1 5 . 1 1 48 48 THR N N 48 107.567 107.567 113.967 -6.400 19879 1356 1 5 . 1 1 48 48 THR HA H 48 5.013 5.013 4.736 0.277 19879 1357 1 5 . 1 1 48 48 THR CA C 48 57.421 57.421 58.115 -0.694 19879 1358 1 5 . 1 1 48 48 THR CB C 48 69.457 69.457 69.877 -0.420 19879 1359 1 5 . 1 1 48 48 THR H H 48 7.459 7.459 7.662 -0.203 19879 1360 1 5 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.332 0.004 19879 1361 1 5 . 1 1 49 49 PRO CA C 49 64.167 64.167 64.801 -0.634 19879 1362 1 5 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.972 -0.724 19879 1363 1 5 . 1 1 50 50 GLU N N 50 117.217 117.217 118.618 -1.401 19879 1364 1 5 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.958 -0.140 19879 1365 1 5 . 1 1 50 50 GLU CA C 50 60.106 60.106 60.191 -0.085 19879 1366 1 5 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.244 -1.140 19879 1367 1 5 . 1 1 50 50 GLU H H 50 9.036 9.036 8.866 0.170 19879 1368 1 5 . 1 1 51 51 GLU N N 51 117.482 117.482 118.368 -0.886 19879 1369 1 5 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.064 -0.153 19879 1370 1 5 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.635 -0.028 19879 1371 1 5 . 1 1 51 51 GLU CB C 51 30.604 30.604 28.940 1.664 19879 1372 1 5 . 1 1 51 51 GLU H H 51 7.561 7.561 8.026 -0.465 19879 1373 1 5 . 1 1 52 52 GLN N N 52 118.967 118.967 120.044 -1.077 19879 1374 1 5 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.968 -0.179 19879 1375 1 5 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.212 -0.242 19879 1376 1 5 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.516 -0.994 19879 1377 1 5 . 1 1 52 52 GLN H H 52 8.125 8.125 7.683 0.442 19879 1378 1 5 . 1 1 53 53 ALA N N 53 119.946 119.946 121.299 -1.353 19879 1379 1 5 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.983 -0.236 19879 1380 1 5 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.140 -0.381 19879 1381 1 5 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.315 0.039 19879 1382 1 5 . 1 1 53 53 ALA H H 53 8.698 8.698 7.720 0.978 19879 1383 1 5 . 1 1 54 54 LYS N N 54 115.558 115.558 118.351 -2.793 19879 1384 1 5 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.936 -0.244 19879 1385 1 5 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.308 -0.172 19879 1386 1 5 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.406 -0.613 19879 1387 1 5 . 1 1 54 54 LYS H H 54 7.647 7.647 7.621 0.026 19879 1388 1 5 . 1 1 55 55 LYS N N 55 119.514 119.514 119.605 -0.091 19879 1389 1 5 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.823 0.029 19879 1390 1 5 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.773 -2.404 19879 1391 1 5 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.120 -2.019 19879 1392 1 5 . 1 1 55 55 LYS H H 55 7.593 7.593 7.891 -0.298 19879 1393 1 5 . 1 1 56 56 LEU N N 56 118.162 118.162 121.272 -3.110 19879 1394 1 5 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.201 -0.366 19879 1395 1 5 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.524 -0.643 19879 1396 1 5 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.192 -1.130 19879 1397 1 5 . 1 1 56 56 LEU H H 56 8.035 8.035 7.532 0.503 19879 1398 1 5 . 1 1 57 57 ILE N N 57 116.360 116.360 118.083 -1.723 19879 1399 1 5 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.578 -0.046 19879 1400 1 5 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.404 -2.797 19879 1401 1 5 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.455 -2.263 19879 1402 1 5 . 1 1 57 57 ILE H H 57 7.769 7.769 8.090 -0.321 19879 1403 1 5 . 1 1 58 58 ASP N N 58 121.683 121.683 120.235 1.448 19879 1404 1 5 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.372 -0.136 19879 1405 1 5 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.204 -0.124 19879 1406 1 5 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.772 -0.775 19879 1407 1 5 . 1 1 58 58 ASP H H 58 7.859 7.859 7.586 0.273 19879 1408 1 5 . 1 1 59 59 PHE N N 59 115.587 115.587 116.604 -1.017 19879 1409 1 5 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.388 0.062 19879 1410 1 5 . 1 1 59 59 PHE CA C 59 57.353 57.353 60.203 -2.850 19879 1411 1 5 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.437 -2.687 19879 1412 1 5 . 1 1 59 59 PHE H H 59 7.968 7.968 7.432 0.536 19879 1413 1 5 . 1 1 60 60 ILE N N 60 117.997 117.997 116.279 1.718 19879 1414 1 5 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.048 -0.264 19879 1415 1 5 . 1 1 60 60 ILE CA C 60 63.825 63.825 64.053 -0.228 19879 1416 1 5 . 1 1 60 60 ILE CB C 60 37.937 37.937 37.913 0.024 19879 1417 1 5 . 1 1 60 60 ILE H H 60 7.787 7.787 8.044 -0.257 19879 1418 1 5 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.264 -0.131 19879 1419 1 5 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.843 -0.382 19879 1420 1 5 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.185 -2.196 19879 1421 1 6 . 1 1 2 2 THR N N 2 116.344 116.344 116.086 0.258 19879 1422 1 6 . 1 1 2 2 THR HA H 2 4.607 4.607 4.815 -0.208 19879 1423 1 6 . 1 1 2 2 THR CA C 2 59.469 59.469 60.305 -0.836 19879 1424 1 6 . 1 1 2 2 THR CB C 2 67.629 67.629 69.492 -1.863 19879 1425 1 6 . 1 1 2 2 THR H H 2 8.950 8.950 8.351 0.599 19879 1426 1 6 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.331 -0.156 19879 1427 1 6 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.870 0.313 19879 1428 1 6 . 1 1 3 3 PRO CB C 3 30.966 30.966 31.974 -1.008 19879 1429 1 6 . 1 1 4 4 GLU N N 4 116.437 116.437 117.294 -0.857 19879 1430 1 6 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.157 -0.141 19879 1431 1 6 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.544 0.282 19879 1432 1 6 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.195 -0.931 19879 1433 1 6 . 1 1 4 4 GLU H H 4 8.943 8.943 8.695 0.248 19879 1434 1 6 . 1 1 5 5 GLN N N 5 120.183 120.183 117.538 2.645 19879 1435 1 6 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.209 -0.465 19879 1436 1 6 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.734 0.365 19879 1437 1 6 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.753 -0.912 19879 1438 1 6 . 1 1 5 5 GLN H H 5 7.708 7.708 8.327 -0.619 19879 1439 1 6 . 1 1 6 6 ARG N N 6 119.108 119.108 118.188 0.920 19879 1440 1 6 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.197 -0.107 19879 1441 1 6 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.622 0.337 19879 1442 1 6 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.123 -0.944 19879 1443 1 6 . 1 1 6 6 ARG H H 6 8.391 8.391 7.909 0.482 19879 1444 1 6 . 1 1 7 7 GLU N N 7 116.726 116.726 117.205 -0.479 19879 1445 1 6 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.175 -0.080 19879 1446 1 6 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.802 -0.448 19879 1447 1 6 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.196 -1.055 19879 1448 1 6 . 1 1 7 7 GLU H H 7 8.000 8.000 7.966 0.034 19879 1449 1 6 . 1 1 8 8 PHE N N 8 119.217 119.217 116.274 2.943 19879 1450 1 6 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.634 0.026 19879 1451 1 6 . 1 1 8 8 PHE CA C 8 58.055 58.055 58.875 -0.820 19879 1452 1 6 . 1 1 8 8 PHE CB C 8 40.736 40.736 41.015 -0.279 19879 1453 1 6 . 1 1 8 8 PHE H H 8 7.706 7.706 7.569 0.137 19879 1454 1 6 . 1 1 9 9 LEU N N 9 119.532 119.532 122.003 -2.471 19879 1455 1 6 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.348 -0.356 19879 1456 1 6 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.653 -1.027 19879 1457 1 6 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.078 -0.784 19879 1458 1 6 . 1 1 9 9 LEU H H 9 7.840 7.840 7.824 0.016 19879 1459 1 6 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.274 -0.169 19879 1460 1 6 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.129 0.553 19879 1461 1 6 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.104 -0.615 19879 1462 1 6 . 1 1 11 11 GLU N N 11 116.603 116.603 117.389 -0.786 19879 1463 1 6 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.166 -0.187 19879 1464 1 6 . 1 1 11 11 GLU CA C 11 58.338 58.338 59.132 -0.794 19879 1465 1 6 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.773 -1.409 19879 1466 1 6 . 1 1 11 11 GLU H H 11 8.019 8.019 8.591 -0.572 19879 1467 1 6 . 1 1 12 12 ILE N N 12 120.060 120.060 117.327 2.733 19879 1468 1 6 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.014 -0.692 19879 1469 1 6 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.101 1.424 19879 1470 1 6 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.516 -0.398 19879 1471 1 6 . 1 1 12 12 ILE H H 12 7.398 7.398 7.306 0.092 19879 1472 1 6 . 1 1 13 13 LEU N N 13 117.822 117.822 121.307 -3.485 19879 1473 1 6 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.862 -0.161 19879 1474 1 6 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.277 -0.918 19879 1475 1 6 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.517 -0.985 19879 1476 1 6 . 1 1 13 13 LEU H H 13 7.492 7.492 7.681 -0.189 19879 1477 1 6 . 1 1 14 14 ALA N N 14 118.447 118.447 119.329 -0.882 19879 1478 1 6 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.979 -0.028 19879 1479 1 6 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.796 -0.631 19879 1480 1 6 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.185 -0.949 19879 1481 1 6 . 1 1 14 14 ALA H H 14 8.038 8.038 7.983 0.055 19879 1482 1 6 . 1 1 15 15 GLU N N 15 117.320 117.320 117.950 -0.630 19879 1483 1 6 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.100 -0.008 19879 1484 1 6 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.399 -0.907 19879 1485 1 6 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.781 -1.334 19879 1486 1 6 . 1 1 15 15 GLU H H 15 7.085 7.085 7.881 -0.796 19879 1487 1 6 . 1 1 16 16 ILE N N 16 116.223 116.223 120.397 -4.174 19879 1488 1 6 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.225 -0.617 19879 1489 1 6 . 1 1 16 16 ILE CA C 16 64.020 64.020 63.469 0.551 19879 1490 1 6 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.540 -0.818 19879 1491 1 6 . 1 1 16 16 ILE H H 16 7.331 7.331 7.511 -0.180 19879 1492 1 6 . 1 1 17 17 ILE N N 17 116.602 116.602 119.443 -2.841 19879 1493 1 6 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.771 -0.123 19879 1494 1 6 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.293 -1.014 19879 1495 1 6 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.511 -0.052 19879 1496 1 6 . 1 1 17 17 ILE H H 17 8.214 8.214 7.553 0.661 19879 1497 1 6 . 1 1 18 18 ALA N N 18 119.329 119.329 121.900 -2.571 19879 1498 1 6 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.282 -0.102 19879 1499 1 6 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.606 0.130 19879 1500 1 6 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.359 -0.785 19879 1501 1 6 . 1 1 18 18 ALA H H 18 8.056 8.056 8.367 -0.311 19879 1502 1 6 . 1 1 19 19 ASN N N 19 110.910 110.910 114.927 -4.017 19879 1503 1 6 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.770 0.252 19879 1504 1 6 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.550 1.040 19879 1505 1 6 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.521 1.573 19879 1506 1 6 . 1 1 19 19 ASN H H 19 7.295 7.295 7.674 -0.379 19879 1507 1 6 . 1 1 20 20 LEU N N 20 119.881 119.881 121.138 -1.257 19879 1508 1 6 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.405 0.318 19879 1509 1 6 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.604 -1.117 19879 1510 1 6 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.752 -0.944 19879 1511 1 6 . 1 1 20 20 LEU H H 20 8.134 8.134 7.351 0.783 19879 1512 1 6 . 1 1 21 21 ASP N N 21 119.289 119.289 124.144 -4.855 19879 1513 1 6 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.003 0.112 19879 1514 1 6 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.906 -2.333 19879 1515 1 6 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.103 -0.851 19879 1516 1 6 . 1 1 21 21 ASP H H 21 8.081 8.081 8.293 -0.212 19879 1517 1 6 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.224 -0.288 19879 1518 1 6 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.942 -0.591 19879 1519 1 6 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.792 -0.265 19879 1520 1 6 . 1 1 23 23 THR N N 23 109.956 109.956 110.069 -0.113 19879 1521 1 6 . 1 1 23 23 THR HA H 23 3.770 3.770 4.093 -0.323 19879 1522 1 6 . 1 1 23 23 THR CA C 23 65.649 65.649 65.418 0.230 19879 1523 1 6 . 1 1 23 23 THR CB C 23 67.525 67.525 68.579 -1.054 19879 1524 1 6 . 1 1 23 23 THR H H 23 8.130 8.130 8.069 0.062 19879 1525 1 6 . 1 1 24 24 LYS N N 24 121.423 121.423 122.401 -0.978 19879 1526 1 6 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.190 -0.026 19879 1527 1 6 . 1 1 24 24 LYS CA C 24 57.783 57.783 59.016 -1.232 19879 1528 1 6 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.603 -1.174 19879 1529 1 6 . 1 1 24 24 LYS H H 24 7.410 7.410 7.906 -0.496 19879 1530 1 6 . 1 1 25 25 ILE N N 25 118.727 118.727 116.270 2.457 19879 1531 1 6 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.828 -0.380 19879 1532 1 6 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.953 -0.014 19879 1533 1 6 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.924 -0.776 19879 1534 1 6 . 1 1 25 25 ILE H H 25 7.255 7.255 7.421 -0.166 19879 1535 1 6 . 1 1 26 26 LEU N N 26 117.967 117.967 121.377 -3.410 19879 1536 1 6 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.938 -0.205 19879 1537 1 6 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.585 -1.001 19879 1538 1 6 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.614 -0.744 19879 1539 1 6 . 1 1 26 26 LEU H H 26 7.893 7.893 7.614 0.279 19879 1540 1 6 . 1 1 27 27 GLU N N 27 117.202 117.202 118.970 -1.768 19879 1541 1 6 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.964 -0.168 19879 1542 1 6 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.968 -0.986 19879 1543 1 6 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.302 -0.527 19879 1544 1 6 . 1 1 27 27 GLU H H 27 7.851 7.851 7.605 0.246 19879 1545 1 6 . 1 1 28 28 GLU N N 28 119.243 119.243 117.940 1.303 19879 1546 1 6 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.184 -0.057 19879 1547 1 6 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.643 -1.426 19879 1548 1 6 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.297 -1.098 19879 1549 1 6 . 1 1 28 28 GLU H H 28 7.597 7.597 8.031 -0.434 19879 1550 1 6 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.126 -0.251 19879 1551 1 6 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.412 0.030 19879 1552 1 6 . 1 1 29 29 LEU CB C 29 40.811 40.811 41.998 -1.187 19879 1553 1 6 . 1 1 30 30 LEU N N 30 121.505 121.505 119.181 2.324 19879 1554 1 6 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.012 0.103 19879 1555 1 6 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.484 0.375 19879 1556 1 6 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.603 -0.337 19879 1557 1 6 . 1 1 30 30 LEU H H 30 8.508 8.508 7.749 0.759 19879 1558 1 6 . 1 1 31 31 ARG N N 31 120.484 120.484 118.217 2.267 19879 1559 1 6 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.103 -0.054 19879 1560 1 6 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.577 -0.108 19879 1561 1 6 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.145 -0.773 19879 1562 1 6 . 1 1 31 31 ARG H H 31 8.274 8.274 7.536 0.738 19879 1563 1 6 . 1 1 32 32 ARG N N 32 114.502 114.502 117.908 -3.406 19879 1564 1 6 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.382 0.071 19879 1565 1 6 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.161 -2.499 19879 1566 1 6 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.377 -0.876 19879 1567 1 6 . 1 1 32 32 ARG H H 32 7.291 7.291 7.750 -0.459 19879 1568 1 6 . 1 1 33 33 GLY N N 33 108.310 108.310 107.484 0.826 19879 1569 1 6 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.214 0.377 19879 1570 1 6 . 1 1 33 33 GLY H H 33 8.134 8.134 7.517 0.617 19879 1571 1 6 . 1 1 34 34 LEU N N 34 117.715 117.715 119.191 -1.476 19879 1572 1 6 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.468 -0.063 19879 1573 1 6 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.526 -2.198 19879 1574 1 6 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.970 -1.440 19879 1575 1 6 . 1 1 34 34 LEU H H 34 8.121 8.121 8.036 0.085 19879 1576 1 6 . 1 1 35 35 LEU N N 35 119.920 119.920 118.736 1.184 19879 1577 1 6 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.499 0.066 19879 1578 1 6 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.616 -0.793 19879 1579 1 6 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.391 2.336 19879 1580 1 6 . 1 1 35 35 LEU H H 35 7.219 7.219 7.561 -0.342 19879 1581 1 6 . 1 1 36 36 THR N N 36 115.405 115.405 113.929 1.476 19879 1582 1 6 . 1 1 36 36 THR HA H 36 4.743 4.743 4.775 -0.032 19879 1583 1 6 . 1 1 36 36 THR CA C 36 59.034 59.034 58.171 0.863 19879 1584 1 6 . 1 1 36 36 THR CB C 36 68.143 68.143 69.628 -1.485 19879 1585 1 6 . 1 1 36 36 THR H H 36 8.948 8.948 8.141 0.807 19879 1586 1 6 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.333 -0.246 19879 1587 1 6 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.109 -0.002 19879 1588 1 6 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.650 -0.813 19879 1589 1 6 . 1 1 38 38 ALA N N 38 119.090 119.090 120.695 -1.605 19879 1590 1 6 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.195 -0.095 19879 1591 1 6 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.874 -0.587 19879 1592 1 6 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.403 -0.714 19879 1593 1 6 . 1 1 38 38 ALA H H 38 7.975 7.975 8.310 -0.335 19879 1594 1 6 . 1 1 39 39 GLU N N 39 120.475 120.475 118.888 1.587 19879 1595 1 6 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.105 -0.320 19879 1596 1 6 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.441 -0.157 19879 1597 1 6 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.402 -0.146 19879 1598 1 6 . 1 1 39 39 GLU H H 39 7.592 7.592 7.616 -0.024 19879 1599 1 6 . 1 1 40 40 LEU N N 40 118.126 118.126 121.484 -3.358 19879 1600 1 6 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.922 -0.095 19879 1601 1 6 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.212 -0.193 19879 1602 1 6 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.101 -1.157 19879 1603 1 6 . 1 1 40 40 LEU H H 40 7.878 7.878 7.968 -0.090 19879 1604 1 6 . 1 1 41 41 GLN N N 41 116.956 116.956 116.384 0.572 19879 1605 1 6 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.939 -0.228 19879 1606 1 6 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.752 -1.192 19879 1607 1 6 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.082 -0.548 19879 1608 1 6 . 1 1 41 41 GLN H H 41 7.957 7.957 8.027 -0.070 19879 1609 1 6 . 1 1 42 42 GLU N N 42 117.014 117.014 120.198 -3.184 19879 1610 1 6 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.159 -0.124 19879 1611 1 6 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.156 -0.291 19879 1612 1 6 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.740 -0.641 19879 1613 1 6 . 1 1 42 42 GLU H H 42 7.676 7.676 7.595 0.081 19879 1614 1 6 . 1 1 43 43 VAL N N 43 116.546 116.546 119.202 -2.656 19879 1615 1 6 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.933 -0.265 19879 1616 1 6 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.703 0.891 19879 1617 1 6 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.127 -1.508 19879 1618 1 6 . 1 1 43 43 VAL H H 43 7.566 7.566 7.539 0.027 19879 1619 1 6 . 1 1 44 44 LEU N N 44 118.168 118.168 117.741 0.427 19879 1620 1 6 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.274 -0.329 19879 1621 1 6 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.628 -0.264 19879 1622 1 6 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.335 -1.787 19879 1623 1 6 . 1 1 44 44 LEU H H 44 8.199 8.199 8.260 -0.061 19879 1624 1 6 . 1 1 45 45 ASP N N 45 116.834 116.834 118.724 -1.890 19879 1625 1 6 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.550 -0.072 19879 1626 1 6 . 1 1 45 45 ASP CA C 45 54.734 54.734 57.089 -2.354 19879 1627 1 6 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.806 -1.250 19879 1628 1 6 . 1 1 45 45 ASP H H 45 7.776 7.776 7.521 0.255 19879 1629 1 6 . 1 1 46 46 LEU N N 46 121.360 121.360 117.008 4.352 19879 1630 1 6 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.353 0.089 19879 1631 1 6 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.485 -1.426 19879 1632 1 6 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.386 -1.239 19879 1633 1 6 . 1 1 46 46 LEU H H 46 7.548 7.548 7.292 0.256 19879 1634 1 6 . 1 1 47 47 LYS N N 47 116.693 116.693 120.510 -3.817 19879 1635 1 6 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.455 -0.278 19879 1636 1 6 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.191 1.268 19879 1637 1 6 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.594 0.191 19879 1638 1 6 . 1 1 47 47 LYS H H 47 8.586 8.586 8.486 0.100 19879 1639 1 6 . 1 1 48 48 THR N N 48 107.567 107.567 112.901 -5.334 19879 1640 1 6 . 1 1 48 48 THR HA H 48 5.013 5.013 4.741 0.272 19879 1641 1 6 . 1 1 48 48 THR CA C 48 57.421 57.421 58.764 -1.343 19879 1642 1 6 . 1 1 48 48 THR CB C 48 69.457 69.457 68.533 0.924 19879 1643 1 6 . 1 1 48 48 THR H H 48 7.459 7.459 7.560 -0.101 19879 1644 1 6 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.159 0.177 19879 1645 1 6 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.335 -1.168 19879 1646 1 6 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.859 -0.611 19879 1647 1 6 . 1 1 50 50 GLU N N 50 117.217 117.217 116.115 1.102 19879 1648 1 6 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.983 -0.165 19879 1649 1 6 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.784 0.322 19879 1650 1 6 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.966 -0.862 19879 1651 1 6 . 1 1 50 50 GLU H H 50 9.036 9.036 8.813 0.223 19879 1652 1 6 . 1 1 51 51 GLU N N 51 117.482 117.482 119.391 -1.909 19879 1653 1 6 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.123 -0.212 19879 1654 1 6 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.943 -0.336 19879 1655 1 6 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.237 1.367 19879 1656 1 6 . 1 1 51 51 GLU H H 51 7.561 7.561 7.677 -0.116 19879 1657 1 6 . 1 1 52 52 GLN N N 52 118.967 118.967 119.365 -0.398 19879 1658 1 6 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.973 -0.184 19879 1659 1 6 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.237 -0.267 19879 1660 1 6 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.628 -1.106 19879 1661 1 6 . 1 1 52 52 GLN H H 52 8.125 8.125 7.990 0.135 19879 1662 1 6 . 1 1 53 53 ALA N N 53 119.946 119.946 121.170 -1.224 19879 1663 1 6 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.968 -0.221 19879 1664 1 6 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.084 -0.325 19879 1665 1 6 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.229 0.125 19879 1666 1 6 . 1 1 53 53 ALA H H 53 8.698 8.698 7.712 0.986 19879 1667 1 6 . 1 1 54 54 LYS N N 54 115.558 115.558 118.315 -2.757 19879 1668 1 6 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.941 -0.249 19879 1669 1 6 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.503 -0.367 19879 1670 1 6 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.369 -0.576 19879 1671 1 6 . 1 1 54 54 LYS H H 54 7.647 7.647 7.733 -0.086 19879 1672 1 6 . 1 1 55 55 LYS N N 55 119.514 119.514 119.554 -0.040 19879 1673 1 6 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.880 -0.028 19879 1674 1 6 . 1 1 55 55 LYS CA C 55 56.369 56.369 59.254 -2.885 19879 1675 1 6 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.146 -2.045 19879 1676 1 6 . 1 1 55 55 LYS H H 55 7.593 7.593 7.995 -0.402 19879 1677 1 6 . 1 1 56 56 LEU N N 56 118.162 118.162 121.142 -2.980 19879 1678 1 6 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.138 -0.303 19879 1679 1 6 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.626 -0.745 19879 1680 1 6 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.152 -1.090 19879 1681 1 6 . 1 1 56 56 LEU H H 56 8.035 8.035 7.583 0.452 19879 1682 1 6 . 1 1 57 57 ILE N N 57 116.360 116.360 118.394 -2.034 19879 1683 1 6 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.569 -0.037 19879 1684 1 6 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.439 -2.832 19879 1685 1 6 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.533 -2.341 19879 1686 1 6 . 1 1 57 57 ILE H H 57 7.769 7.769 7.841 -0.072 19879 1687 1 6 . 1 1 58 58 ASP N N 58 121.683 121.683 119.449 2.234 19879 1688 1 6 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.395 -0.159 19879 1689 1 6 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.391 -0.311 19879 1690 1 6 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.646 -0.649 19879 1691 1 6 . 1 1 58 58 ASP H H 58 7.859 7.859 7.885 -0.026 19879 1692 1 6 . 1 1 59 59 PHE N N 59 115.587 115.587 116.831 -1.244 19879 1693 1 6 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.415 0.035 19879 1694 1 6 . 1 1 59 59 PHE CA C 59 57.353 57.353 60.181 -2.828 19879 1695 1 6 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.898 -3.148 19879 1696 1 6 . 1 1 59 59 PHE H H 59 7.968 7.968 7.415 0.553 19879 1697 1 6 . 1 1 60 60 ILE N N 60 117.997 117.997 114.648 3.349 19879 1698 1 6 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.113 -0.329 19879 1699 1 6 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.626 0.199 19879 1700 1 6 . 1 1 60 60 ILE CB C 60 37.937 37.937 37.910 0.027 19879 1701 1 6 . 1 1 60 60 ILE H H 60 7.787 7.787 7.874 -0.087 19879 1702 1 6 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.233 -0.100 19879 1703 1 6 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.848 -0.387 19879 1704 1 6 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.135 -2.146 19879 1705 1 7 . 1 1 2 2 THR N N 2 116.344 116.344 113.879 2.465 19879 1706 1 7 . 1 1 2 2 THR HA H 2 4.607 4.607 4.913 -0.306 19879 1707 1 7 . 1 1 2 2 THR CA C 2 59.469 59.469 58.988 0.481 19879 1708 1 7 . 1 1 2 2 THR CB C 2 67.629 67.629 69.458 -1.829 19879 1709 1 7 . 1 1 2 2 THR H H 2 8.950 8.950 7.977 0.973 19879 1710 1 7 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.303 -0.128 19879 1711 1 7 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.065 0.118 19879 1712 1 7 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.090 -1.123 19879 1713 1 7 . 1 1 4 4 GLU N N 4 116.437 116.437 115.873 0.564 19879 1714 1 7 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.441 -0.425 19879 1715 1 7 . 1 1 4 4 GLU CA C 4 59.826 59.826 58.752 1.074 19879 1716 1 7 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.195 -0.931 19879 1717 1 7 . 1 1 4 4 GLU H H 4 8.943 8.943 8.724 0.219 19879 1718 1 7 . 1 1 5 5 GLN N N 5 120.183 120.183 118.493 1.690 19879 1719 1 7 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.262 -0.518 19879 1720 1 7 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.726 0.373 19879 1721 1 7 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.962 -1.121 19879 1722 1 7 . 1 1 5 5 GLN H H 5 7.708 7.708 7.643 0.065 19879 1723 1 7 . 1 1 6 6 ARG N N 6 119.108 119.108 117.737 1.371 19879 1724 1 7 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.159 -0.069 19879 1725 1 7 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.219 0.740 19879 1726 1 7 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.119 -0.940 19879 1727 1 7 . 1 1 6 6 ARG H H 6 8.391 8.391 7.763 0.628 19879 1728 1 7 . 1 1 7 7 GLU N N 7 116.726 116.726 118.412 -1.686 19879 1729 1 7 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.144 -0.049 19879 1730 1 7 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.288 -0.935 19879 1731 1 7 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.407 -1.266 19879 1732 1 7 . 1 1 7 7 GLU H H 7 8.000 8.000 7.599 0.401 19879 1733 1 7 . 1 1 8 8 PHE N N 8 119.217 119.217 116.585 2.632 19879 1734 1 7 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.869 -0.209 19879 1735 1 7 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.251 -1.196 19879 1736 1 7 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.953 0.783 19879 1737 1 7 . 1 1 8 8 PHE H H 8 7.706 7.706 7.684 0.022 19879 1738 1 7 . 1 1 9 9 LEU N N 9 119.532 119.532 122.389 -2.857 19879 1739 1 7 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.169 -0.177 19879 1740 1 7 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.935 -1.309 19879 1741 1 7 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.095 -0.801 19879 1742 1 7 . 1 1 9 9 LEU H H 9 7.840 7.840 7.597 0.243 19879 1743 1 7 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.282 -0.177 19879 1744 1 7 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.151 0.531 19879 1745 1 7 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.090 -0.601 19879 1746 1 7 . 1 1 11 11 GLU N N 11 116.603 116.603 117.138 -0.535 19879 1747 1 7 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.240 -0.261 19879 1748 1 7 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.835 -0.497 19879 1749 1 7 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.945 -1.581 19879 1750 1 7 . 1 1 11 11 GLU H H 11 8.019 8.019 8.451 -0.432 19879 1751 1 7 . 1 1 12 12 ILE N N 12 120.060 120.060 117.951 2.109 19879 1752 1 7 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.029 -0.707 19879 1753 1 7 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.236 1.289 19879 1754 1 7 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.684 -0.565 19879 1755 1 7 . 1 1 12 12 ILE H H 12 7.398 7.398 7.333 0.065 19879 1756 1 7 . 1 1 13 13 LEU N N 13 117.822 117.822 120.899 -3.077 19879 1757 1 7 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.873 -0.172 19879 1758 1 7 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.119 -0.760 19879 1759 1 7 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.690 -1.158 19879 1760 1 7 . 1 1 13 13 LEU H H 13 7.492 7.492 7.755 -0.263 19879 1761 1 7 . 1 1 14 14 ALA N N 14 118.447 118.447 119.894 -1.447 19879 1762 1 7 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.985 -0.034 19879 1763 1 7 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.104 -0.939 19879 1764 1 7 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.098 -0.862 19879 1765 1 7 . 1 1 14 14 ALA H H 14 8.038 8.038 7.869 0.169 19879 1766 1 7 . 1 1 15 15 GLU N N 15 117.320 117.320 116.224 1.096 19879 1767 1 7 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.181 -0.089 19879 1768 1 7 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.991 -0.499 19879 1769 1 7 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.639 -1.192 19879 1770 1 7 . 1 1 15 15 GLU H H 15 7.085 7.085 7.931 -0.846 19879 1771 1 7 . 1 1 16 16 ILE N N 16 116.223 116.223 118.534 -2.311 19879 1772 1 7 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.051 -0.443 19879 1773 1 7 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.582 1.438 19879 1774 1 7 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.012 -1.290 19879 1775 1 7 . 1 1 16 16 ILE H H 16 7.331 7.331 7.327 0.004 19879 1776 1 7 . 1 1 17 17 ILE N N 17 116.602 116.602 120.194 -3.592 19879 1777 1 7 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.775 -0.127 19879 1778 1 7 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.746 -1.466 19879 1779 1 7 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.827 -0.368 19879 1780 1 7 . 1 1 17 17 ILE H H 17 8.214 8.214 7.532 0.682 19879 1781 1 7 . 1 1 18 18 ALA N N 18 119.329 119.329 119.930 -0.601 19879 1782 1 7 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.345 -0.165 19879 1783 1 7 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.238 0.498 19879 1784 1 7 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.255 -0.681 19879 1785 1 7 . 1 1 18 18 ALA H H 18 8.056 8.056 8.047 0.009 19879 1786 1 7 . 1 1 19 19 ASN N N 19 110.910 110.910 115.539 -4.629 19879 1787 1 7 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.880 0.142 19879 1788 1 7 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.964 0.626 19879 1789 1 7 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.353 0.741 19879 1790 1 7 . 1 1 19 19 ASN H H 19 7.295 7.295 7.682 -0.387 19879 1791 1 7 . 1 1 20 20 LEU N N 20 119.881 119.881 120.754 -0.873 19879 1792 1 7 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.535 0.188 19879 1793 1 7 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.700 -1.213 19879 1794 1 7 . 1 1 20 20 LEU CB C 20 43.809 43.809 45.188 -1.379 19879 1795 1 7 . 1 1 20 20 LEU H H 20 8.134 8.134 7.281 0.853 19879 1796 1 7 . 1 1 21 21 ASP N N 21 119.289 119.289 124.161 -4.872 19879 1797 1 7 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.048 0.067 19879 1798 1 7 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.676 -2.103 19879 1799 1 7 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.071 -0.819 19879 1800 1 7 . 1 1 21 21 ASP H H 21 8.081 8.081 8.354 -0.273 19879 1801 1 7 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.238 -0.302 19879 1802 1 7 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.646 -0.295 19879 1803 1 7 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.896 -0.369 19879 1804 1 7 . 1 1 23 23 THR N N 23 109.956 109.956 110.762 -0.806 19879 1805 1 7 . 1 1 23 23 THR HA H 23 3.770 3.770 4.158 -0.388 19879 1806 1 7 . 1 1 23 23 THR CA C 23 65.649 65.649 65.803 -0.154 19879 1807 1 7 . 1 1 23 23 THR CB C 23 67.525 67.525 68.233 -0.708 19879 1808 1 7 . 1 1 23 23 THR H H 23 8.130 8.130 8.287 -0.157 19879 1809 1 7 . 1 1 24 24 LYS N N 24 121.423 121.423 121.814 -0.391 19879 1810 1 7 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.276 -0.112 19879 1811 1 7 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.846 -1.063 19879 1812 1 7 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.636 -1.207 19879 1813 1 7 . 1 1 24 24 LYS H H 24 7.410 7.410 7.718 -0.308 19879 1814 1 7 . 1 1 25 25 ILE N N 25 118.727 118.727 115.591 3.136 19879 1815 1 7 . 1 1 25 25 ILE HA H 25 3.448 3.448 4.005 -0.557 19879 1816 1 7 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.569 0.370 19879 1817 1 7 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.936 -0.788 19879 1818 1 7 . 1 1 25 25 ILE H H 25 7.255 7.255 7.409 -0.154 19879 1819 1 7 . 1 1 26 26 LEU N N 26 117.967 117.967 121.631 -3.664 19879 1820 1 7 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.973 -0.240 19879 1821 1 7 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.363 -0.779 19879 1822 1 7 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.791 -0.921 19879 1823 1 7 . 1 1 26 26 LEU H H 26 7.893 7.893 7.604 0.289 19879 1824 1 7 . 1 1 27 27 GLU N N 27 117.202 117.202 117.851 -0.649 19879 1825 1 7 . 1 1 27 27 GLU HA H 27 3.796 3.796 4.006 -0.210 19879 1826 1 7 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.669 -0.687 19879 1827 1 7 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.052 -0.278 19879 1828 1 7 . 1 1 27 27 GLU H H 27 7.851 7.851 7.760 0.091 19879 1829 1 7 . 1 1 28 28 GLU N N 28 119.243 119.243 118.296 0.947 19879 1830 1 7 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.197 -0.070 19879 1831 1 7 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.785 -1.568 19879 1832 1 7 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.241 -1.042 19879 1833 1 7 . 1 1 28 28 GLU H H 28 7.597 7.597 7.818 -0.221 19879 1834 1 7 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.128 -0.253 19879 1835 1 7 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.325 0.117 19879 1836 1 7 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.001 -1.190 19879 1837 1 7 . 1 1 30 30 LEU N N 30 121.505 121.505 118.871 2.634 19879 1838 1 7 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.030 0.085 19879 1839 1 7 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.412 0.447 19879 1840 1 7 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.609 -0.343 19879 1841 1 7 . 1 1 30 30 LEU H H 30 8.508 8.508 7.656 0.852 19879 1842 1 7 . 1 1 31 31 ARG N N 31 120.484 120.484 118.008 2.476 19879 1843 1 7 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.101 -0.052 19879 1844 1 7 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.547 -0.078 19879 1845 1 7 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.098 -0.725 19879 1846 1 7 . 1 1 31 31 ARG H H 31 8.274 8.274 7.551 0.723 19879 1847 1 7 . 1 1 32 32 ARG N N 32 114.502 114.502 118.064 -3.562 19879 1848 1 7 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.377 0.076 19879 1849 1 7 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.257 -2.595 19879 1850 1 7 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.512 -1.011 19879 1851 1 7 . 1 1 32 32 ARG H H 32 7.291 7.291 7.823 -0.532 19879 1852 1 7 . 1 1 33 33 GLY N N 33 108.310 108.310 107.381 0.929 19879 1853 1 7 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.346 0.245 19879 1854 1 7 . 1 1 33 33 GLY H H 33 8.134 8.134 7.569 0.565 19879 1855 1 7 . 1 1 34 34 LEU N N 34 117.715 117.715 119.324 -1.609 19879 1856 1 7 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.427 -0.022 19879 1857 1 7 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.300 -1.972 19879 1858 1 7 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.050 -1.520 19879 1859 1 7 . 1 1 34 34 LEU H H 34 8.121 8.121 7.721 0.400 19879 1860 1 7 . 1 1 35 35 LEU N N 35 119.920 119.920 119.526 0.394 19879 1861 1 7 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.521 0.044 19879 1862 1 7 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.778 -0.954 19879 1863 1 7 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.244 2.482 19879 1864 1 7 . 1 1 35 35 LEU H H 35 7.219 7.219 7.398 -0.179 19879 1865 1 7 . 1 1 36 36 THR N N 36 115.405 115.405 115.043 0.362 19879 1866 1 7 . 1 1 36 36 THR HA H 36 4.743 4.743 4.772 -0.029 19879 1867 1 7 . 1 1 36 36 THR CA C 36 59.034 59.034 58.322 0.712 19879 1868 1 7 . 1 1 36 36 THR CB C 36 68.143 68.143 69.119 -0.976 19879 1869 1 7 . 1 1 36 36 THR H H 36 8.948 8.948 8.198 0.750 19879 1870 1 7 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.299 -0.212 19879 1871 1 7 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.212 -0.105 19879 1872 1 7 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.585 -0.748 19879 1873 1 7 . 1 1 38 38 ALA N N 38 119.090 119.090 120.644 -1.554 19879 1874 1 7 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.132 -0.032 19879 1875 1 7 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.945 -0.658 19879 1876 1 7 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.524 -0.835 19879 1877 1 7 . 1 1 38 38 ALA H H 38 7.975 7.975 8.223 -0.248 19879 1878 1 7 . 1 1 39 39 GLU N N 39 120.475 120.475 118.892 1.583 19879 1879 1 7 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.032 -0.247 19879 1880 1 7 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.797 -0.513 19879 1881 1 7 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.286 -0.030 19879 1882 1 7 . 1 1 39 39 GLU H H 39 7.592 7.592 7.614 -0.022 19879 1883 1 7 . 1 1 40 40 LEU N N 40 118.126 118.126 120.894 -2.768 19879 1884 1 7 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.974 -0.147 19879 1885 1 7 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.164 -0.145 19879 1886 1 7 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.104 -1.160 19879 1887 1 7 . 1 1 40 40 LEU H H 40 7.878 7.878 7.965 -0.087 19879 1888 1 7 . 1 1 41 41 GLN N N 41 116.956 116.956 117.979 -1.023 19879 1889 1 7 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.936 -0.225 19879 1890 1 7 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.848 -1.288 19879 1891 1 7 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.273 -0.739 19879 1892 1 7 . 1 1 41 41 GLN H H 41 7.957 7.957 8.081 -0.124 19879 1893 1 7 . 1 1 42 42 GLU N N 42 117.014 117.014 120.109 -3.095 19879 1894 1 7 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.131 -0.096 19879 1895 1 7 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.376 -0.511 19879 1896 1 7 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.585 -0.486 19879 1897 1 7 . 1 1 42 42 GLU H H 42 7.676 7.676 7.698 -0.022 19879 1898 1 7 . 1 1 43 43 VAL N N 43 116.546 116.546 119.642 -3.096 19879 1899 1 7 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.800 -0.132 19879 1900 1 7 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.516 0.077 19879 1901 1 7 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.854 -1.235 19879 1902 1 7 . 1 1 43 43 VAL H H 43 7.566 7.566 7.430 0.136 19879 1903 1 7 . 1 1 44 44 LEU N N 44 118.168 118.168 118.009 0.159 19879 1904 1 7 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.230 -0.285 19879 1905 1 7 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.331 0.033 19879 1906 1 7 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.270 -1.722 19879 1907 1 7 . 1 1 44 44 LEU H H 44 8.199 8.199 8.118 0.081 19879 1908 1 7 . 1 1 45 45 ASP N N 45 116.834 116.834 118.022 -1.188 19879 1909 1 7 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.491 -0.013 19879 1910 1 7 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.731 -1.998 19879 1911 1 7 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.303 -0.747 19879 1912 1 7 . 1 1 45 45 ASP H H 45 7.776 7.776 7.391 0.385 19879 1913 1 7 . 1 1 46 46 LEU N N 46 121.360 121.360 118.209 3.151 19879 1914 1 7 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.517 -0.075 19879 1915 1 7 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.203 -0.144 19879 1916 1 7 . 1 1 46 46 LEU CB C 46 41.147 41.147 41.211 -0.064 19879 1917 1 7 . 1 1 46 46 LEU H H 46 7.548 7.548 7.427 0.121 19879 1918 1 7 . 1 1 47 47 LYS N N 47 116.693 116.693 121.423 -4.730 19879 1919 1 7 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.413 -0.236 19879 1920 1 7 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.326 1.133 19879 1921 1 7 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.876 -0.090 19879 1922 1 7 . 1 1 47 47 LYS H H 47 8.586 8.586 8.703 -0.117 19879 1923 1 7 . 1 1 48 48 THR N N 48 107.567 107.567 113.371 -5.804 19879 1924 1 7 . 1 1 48 48 THR HA H 48 5.013 5.013 4.614 0.399 19879 1925 1 7 . 1 1 48 48 THR CA C 48 57.421 57.421 59.010 -1.589 19879 1926 1 7 . 1 1 48 48 THR CB C 48 69.457 69.457 69.102 0.355 19879 1927 1 7 . 1 1 48 48 THR H H 48 7.459 7.459 7.577 -0.118 19879 1928 1 7 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.115 0.221 19879 1929 1 7 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.162 -0.994 19879 1930 1 7 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.866 -0.619 19879 1931 1 7 . 1 1 50 50 GLU N N 50 117.217 117.217 116.410 0.807 19879 1932 1 7 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.958 -0.140 19879 1933 1 7 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.801 0.305 19879 1934 1 7 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.053 -0.949 19879 1935 1 7 . 1 1 50 50 GLU H H 50 9.036 9.036 8.879 0.157 19879 1936 1 7 . 1 1 51 51 GLU N N 51 117.482 117.482 119.015 -1.533 19879 1937 1 7 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.123 -0.212 19879 1938 1 7 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.044 -0.437 19879 1939 1 7 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.272 1.332 19879 1940 1 7 . 1 1 51 51 GLU H H 51 7.561 7.561 7.742 -0.181 19879 1941 1 7 . 1 1 52 52 GLN N N 52 118.967 118.967 119.008 -0.041 19879 1942 1 7 . 1 1 52 52 GLN HA H 52 3.789 3.789 4.051 -0.262 19879 1943 1 7 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.085 -0.115 19879 1944 1 7 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.392 -0.870 19879 1945 1 7 . 1 1 52 52 GLN H H 52 8.125 8.125 7.862 0.263 19879 1946 1 7 . 1 1 53 53 ALA N N 53 119.946 119.946 121.687 -1.741 19879 1947 1 7 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.989 -0.242 19879 1948 1 7 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.131 -0.372 19879 1949 1 7 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.325 0.029 19879 1950 1 7 . 1 1 53 53 ALA H H 53 8.698 8.698 7.730 0.968 19879 1951 1 7 . 1 1 54 54 LYS N N 54 115.558 115.558 118.031 -2.473 19879 1952 1 7 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.950 -0.258 19879 1953 1 7 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.481 -0.345 19879 1954 1 7 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.216 -0.423 19879 1955 1 7 . 1 1 54 54 LYS H H 54 7.647 7.647 7.724 -0.077 19879 1956 1 7 . 1 1 55 55 LYS N N 55 119.514 119.514 119.429 0.085 19879 1957 1 7 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.022 -0.170 19879 1958 1 7 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.876 -2.507 19879 1959 1 7 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.364 -2.263 19879 1960 1 7 . 1 1 55 55 LYS H H 55 7.593 7.593 8.061 -0.468 19879 1961 1 7 . 1 1 56 56 LEU N N 56 118.162 118.162 121.349 -3.187 19879 1962 1 7 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.184 -0.349 19879 1963 1 7 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.111 -0.230 19879 1964 1 7 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.284 -1.222 19879 1965 1 7 . 1 1 56 56 LEU H H 56 8.035 8.035 7.537 0.498 19879 1966 1 7 . 1 1 57 57 ILE N N 57 116.360 116.360 118.055 -1.695 19879 1967 1 7 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.559 -0.027 19879 1968 1 7 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.460 -2.853 19879 1969 1 7 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.513 -2.321 19879 1970 1 7 . 1 1 57 57 ILE H H 57 7.769 7.769 7.939 -0.170 19879 1971 1 7 . 1 1 58 58 ASP N N 58 121.683 121.683 119.908 1.775 19879 1972 1 7 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.375 -0.139 19879 1973 1 7 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.029 0.051 19879 1974 1 7 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.856 -0.859 19879 1975 1 7 . 1 1 58 58 ASP H H 58 7.859 7.859 7.847 0.012 19879 1976 1 7 . 1 1 59 59 PHE N N 59 115.587 115.587 115.822 -0.235 19879 1977 1 7 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.502 -0.052 19879 1978 1 7 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.187 -1.834 19879 1979 1 7 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.788 -3.038 19879 1980 1 7 . 1 1 59 59 PHE H H 59 7.968 7.968 7.340 0.628 19879 1981 1 7 . 1 1 60 60 ILE N N 60 117.997 117.997 117.003 0.994 19879 1982 1 7 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.203 -0.419 19879 1983 1 7 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.243 0.582 19879 1984 1 7 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.212 -0.275 19879 1985 1 7 . 1 1 60 60 ILE H H 60 7.787 7.787 7.617 0.170 19879 1986 1 7 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.274 -0.141 19879 1987 1 7 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.849 -0.388 19879 1988 1 7 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.318 -2.329 19879 1989 1 8 . 1 1 2 2 THR N N 2 116.344 116.344 113.781 2.563 19879 1990 1 8 . 1 1 2 2 THR HA H 2 4.607 4.607 4.844 -0.237 19879 1991 1 8 . 1 1 2 2 THR CA C 2 59.469 59.469 59.211 0.258 19879 1992 1 8 . 1 1 2 2 THR CB C 2 67.629 67.629 70.675 -3.046 19879 1993 1 8 . 1 1 2 2 THR H H 2 8.950 8.950 8.043 0.907 19879 1994 1 8 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.325 -0.150 19879 1995 1 8 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.014 0.169 19879 1996 1 8 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.146 -1.180 19879 1997 1 8 . 1 1 4 4 GLU N N 4 116.437 116.437 116.194 0.243 19879 1998 1 8 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.194 -0.178 19879 1999 1 8 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.177 0.649 19879 2000 1 8 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.465 -1.201 19879 2001 1 8 . 1 1 4 4 GLU H H 4 8.943 8.943 8.621 0.322 19879 2002 1 8 . 1 1 5 5 GLN N N 5 120.183 120.183 117.984 2.199 19879 2003 1 8 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.430 -0.686 19879 2004 1 8 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.499 0.600 19879 2005 1 8 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.268 -1.427 19879 2006 1 8 . 1 1 5 5 GLN H H 5 7.708 7.708 7.648 0.060 19879 2007 1 8 . 1 1 6 6 ARG N N 6 119.108 119.108 118.276 0.832 19879 2008 1 8 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.194 -0.104 19879 2009 1 8 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.317 0.642 19879 2010 1 8 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.165 -0.986 19879 2011 1 8 . 1 1 6 6 ARG H H 6 8.391 8.391 7.864 0.527 19879 2012 1 8 . 1 1 7 7 GLU N N 7 116.726 116.726 117.028 -0.302 19879 2013 1 8 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.183 -0.088 19879 2014 1 8 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.021 -0.667 19879 2015 1 8 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.231 -1.090 19879 2016 1 8 . 1 1 7 7 GLU H H 7 8.000 8.000 7.795 0.205 19879 2017 1 8 . 1 1 8 8 PHE N N 8 119.217 119.217 117.009 2.208 19879 2018 1 8 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.615 0.045 19879 2019 1 8 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.742 -1.687 19879 2020 1 8 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.651 0.085 19879 2021 1 8 . 1 1 8 8 PHE H H 8 7.706 7.706 7.758 -0.052 19879 2022 1 8 . 1 1 9 9 LEU N N 9 119.532 119.532 121.973 -2.441 19879 2023 1 8 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.105 -0.113 19879 2024 1 8 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.536 -1.910 19879 2025 1 8 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.201 -0.907 19879 2026 1 8 . 1 1 9 9 LEU H H 9 7.840 7.840 8.140 -0.300 19879 2027 1 8 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.375 -0.270 19879 2028 1 8 . 1 1 10 10 PRO CA C 10 65.682 65.682 64.761 0.921 19879 2029 1 8 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.120 -0.631 19879 2030 1 8 . 1 1 11 11 GLU N N 11 116.603 116.603 117.273 -0.670 19879 2031 1 8 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.322 -0.343 19879 2032 1 8 . 1 1 11 11 GLU CA C 11 58.338 58.338 57.087 1.252 19879 2033 1 8 . 1 1 11 11 GLU CB C 11 28.364 28.364 30.927 -2.563 19879 2034 1 8 . 1 1 11 11 GLU H H 11 8.019 8.019 7.631 0.388 19879 2035 1 8 . 1 1 12 12 ILE N N 12 120.060 120.060 117.780 2.280 19879 2036 1 8 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.061 -0.739 19879 2037 1 8 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.856 0.669 19879 2038 1 8 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.699 -0.581 19879 2039 1 8 . 1 1 12 12 ILE H H 12 7.398 7.398 7.633 -0.235 19879 2040 1 8 . 1 1 13 13 LEU N N 13 117.822 117.822 118.292 -0.470 19879 2041 1 8 . 1 1 13 13 LEU HA H 13 3.701 3.701 4.045 -0.344 19879 2042 1 8 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.797 -0.438 19879 2043 1 8 . 1 1 13 13 LEU CB C 13 40.532 40.532 40.262 0.270 19879 2044 1 8 . 1 1 13 13 LEU H H 13 7.492 7.492 7.489 0.003 19879 2045 1 8 . 1 1 14 14 ALA N N 14 118.447 118.447 120.855 -2.408 19879 2046 1 8 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.013 -0.062 19879 2047 1 8 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.822 -0.657 19879 2048 1 8 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.352 -1.116 19879 2049 1 8 . 1 1 14 14 ALA H H 14 8.038 8.038 7.782 0.256 19879 2050 1 8 . 1 1 15 15 GLU N N 15 117.320 117.320 116.669 0.651 19879 2051 1 8 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.180 -0.088 19879 2052 1 8 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.028 -0.536 19879 2053 1 8 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.668 -1.221 19879 2054 1 8 . 1 1 15 15 GLU H H 15 7.085 7.085 7.913 -0.828 19879 2055 1 8 . 1 1 16 16 ILE N N 16 116.223 116.223 118.650 -2.427 19879 2056 1 8 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.058 -0.450 19879 2057 1 8 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.608 1.412 19879 2058 1 8 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.939 -1.217 19879 2059 1 8 . 1 1 16 16 ILE H H 16 7.331 7.331 7.162 0.169 19879 2060 1 8 . 1 1 17 17 ILE N N 17 116.602 116.602 120.360 -3.758 19879 2061 1 8 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.728 -0.080 19879 2062 1 8 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.758 -1.479 19879 2063 1 8 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.693 -0.234 19879 2064 1 8 . 1 1 17 17 ILE H H 17 8.214 8.214 7.552 0.662 19879 2065 1 8 . 1 1 18 18 ALA N N 18 119.329 119.329 120.189 -0.860 19879 2066 1 8 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.312 -0.132 19879 2067 1 8 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.350 0.386 19879 2068 1 8 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.189 -0.615 19879 2069 1 8 . 1 1 18 18 ALA H H 18 8.056 8.056 8.061 -0.005 19879 2070 1 8 . 1 1 19 19 ASN N N 19 110.910 110.910 115.588 -4.678 19879 2071 1 8 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.860 0.162 19879 2072 1 8 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.844 0.746 19879 2073 1 8 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.286 0.808 19879 2074 1 8 . 1 1 19 19 ASN H H 19 7.295 7.295 7.720 -0.425 19879 2075 1 8 . 1 1 20 20 LEU N N 20 119.881 119.881 121.192 -1.311 19879 2076 1 8 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.640 0.083 19879 2077 1 8 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.607 -1.120 19879 2078 1 8 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.658 -0.849 19879 2079 1 8 . 1 1 20 20 LEU H H 20 8.134 8.134 7.297 0.837 19879 2080 1 8 . 1 1 21 21 ASP N N 21 119.289 119.289 124.427 -5.138 19879 2081 1 8 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.037 0.078 19879 2082 1 8 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.971 -2.398 19879 2083 1 8 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.274 -1.022 19879 2084 1 8 . 1 1 21 21 ASP H H 21 8.081 8.081 8.486 -0.405 19879 2085 1 8 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.172 -0.236 19879 2086 1 8 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.859 -0.507 19879 2087 1 8 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.951 -0.424 19879 2088 1 8 . 1 1 23 23 THR N N 23 109.956 109.956 111.837 -1.881 19879 2089 1 8 . 1 1 23 23 THR HA H 23 3.770 3.770 4.041 -0.271 19879 2090 1 8 . 1 1 23 23 THR CA C 23 65.649 65.649 65.777 -0.128 19879 2091 1 8 . 1 1 23 23 THR CB C 23 67.525 67.525 68.170 -0.645 19879 2092 1 8 . 1 1 23 23 THR H H 23 8.130 8.130 8.263 -0.133 19879 2093 1 8 . 1 1 24 24 LYS N N 24 121.423 121.423 121.561 -0.138 19879 2094 1 8 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.125 0.039 19879 2095 1 8 . 1 1 24 24 LYS CA C 24 57.783 57.783 59.113 -1.330 19879 2096 1 8 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.488 -1.059 19879 2097 1 8 . 1 1 24 24 LYS H H 24 7.410 7.410 7.637 -0.227 19879 2098 1 8 . 1 1 25 25 ILE N N 25 118.727 118.727 115.832 2.895 19879 2099 1 8 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.836 -0.388 19879 2100 1 8 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.886 0.053 19879 2101 1 8 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.824 -0.676 19879 2102 1 8 . 1 1 25 25 ILE H H 25 7.255 7.255 7.413 -0.158 19879 2103 1 8 . 1 1 26 26 LEU N N 26 117.967 117.967 121.260 -3.293 19879 2104 1 8 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.936 -0.203 19879 2105 1 8 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.373 -0.789 19879 2106 1 8 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.842 -0.972 19879 2107 1 8 . 1 1 26 26 LEU H H 26 7.893 7.893 7.490 0.403 19879 2108 1 8 . 1 1 27 27 GLU N N 27 117.202 117.202 118.085 -0.883 19879 2109 1 8 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.986 -0.190 19879 2110 1 8 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.624 -0.642 19879 2111 1 8 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.186 -0.412 19879 2112 1 8 . 1 1 27 27 GLU H H 27 7.851 7.851 7.690 0.161 19879 2113 1 8 . 1 1 28 28 GLU N N 28 119.243 119.243 119.329 -0.086 19879 2114 1 8 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.154 -0.027 19879 2115 1 8 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.628 -1.411 19879 2116 1 8 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.297 -1.098 19879 2117 1 8 . 1 1 28 28 GLU H H 28 7.597 7.597 7.749 -0.152 19879 2118 1 8 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.084 -0.209 19879 2119 1 8 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.757 -0.315 19879 2120 1 8 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.142 -1.331 19879 2121 1 8 . 1 1 30 30 LEU N N 30 121.505 121.505 118.218 3.287 19879 2122 1 8 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.054 0.061 19879 2123 1 8 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.236 0.623 19879 2124 1 8 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.735 -0.469 19879 2125 1 8 . 1 1 30 30 LEU H H 30 8.508 8.508 7.568 0.940 19879 2126 1 8 . 1 1 31 31 ARG N N 31 120.484 120.484 119.485 0.999 19879 2127 1 8 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.119 -0.070 19879 2128 1 8 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.562 -0.093 19879 2129 1 8 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.178 -0.805 19879 2130 1 8 . 1 1 31 31 ARG H H 31 8.274 8.274 7.487 0.787 19879 2131 1 8 . 1 1 32 32 ARG N N 32 114.502 114.502 117.246 -2.744 19879 2132 1 8 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.368 0.085 19879 2133 1 8 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.960 -2.298 19879 2134 1 8 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.128 -0.627 19879 2135 1 8 . 1 1 32 32 ARG H H 32 7.291 7.291 7.780 -0.489 19879 2136 1 8 . 1 1 33 33 GLY N N 33 108.310 108.310 107.472 0.838 19879 2137 1 8 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.405 0.186 19879 2138 1 8 . 1 1 33 33 GLY H H 33 8.134 8.134 7.592 0.542 19879 2139 1 8 . 1 1 34 34 LEU N N 34 117.715 117.715 119.193 -1.478 19879 2140 1 8 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.524 -0.119 19879 2141 1 8 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.089 -1.761 19879 2142 1 8 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.063 -1.533 19879 2143 1 8 . 1 1 34 34 LEU H H 34 8.121 8.121 7.825 0.296 19879 2144 1 8 . 1 1 35 35 LEU N N 35 119.920 119.920 119.952 -0.032 19879 2145 1 8 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.705 -0.140 19879 2146 1 8 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.899 -1.076 19879 2147 1 8 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.395 2.331 19879 2148 1 8 . 1 1 35 35 LEU H H 35 7.219 7.219 7.499 -0.280 19879 2149 1 8 . 1 1 36 36 THR N N 36 115.405 115.405 114.648 0.757 19879 2150 1 8 . 1 1 36 36 THR HA H 36 4.743 4.743 4.807 -0.064 19879 2151 1 8 . 1 1 36 36 THR CA C 36 59.034 59.034 58.655 0.379 19879 2152 1 8 . 1 1 36 36 THR CB C 36 68.143 68.143 69.127 -0.984 19879 2153 1 8 . 1 1 36 36 THR H H 36 8.948 8.948 8.362 0.586 19879 2154 1 8 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.423 -0.336 19879 2155 1 8 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.058 0.049 19879 2156 1 8 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.488 -0.651 19879 2157 1 8 . 1 1 38 38 ALA N N 38 119.090 119.090 119.811 -0.721 19879 2158 1 8 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.214 -0.114 19879 2159 1 8 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.863 -0.576 19879 2160 1 8 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.366 -0.676 19879 2161 1 8 . 1 1 38 38 ALA H H 38 7.975 7.975 8.439 -0.464 19879 2162 1 8 . 1 1 39 39 GLU N N 39 120.475 120.475 118.739 1.736 19879 2163 1 8 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.112 -0.327 19879 2164 1 8 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.748 -0.464 19879 2165 1 8 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.717 -0.461 19879 2166 1 8 . 1 1 39 39 GLU H H 39 7.592 7.592 7.776 -0.184 19879 2167 1 8 . 1 1 40 40 LEU N N 40 118.126 118.126 121.606 -3.480 19879 2168 1 8 . 1 1 40 40 LEU HA H 40 3.827 3.827 4.058 -0.231 19879 2169 1 8 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.356 -0.337 19879 2170 1 8 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.179 -1.235 19879 2171 1 8 . 1 1 40 40 LEU H H 40 7.878 7.878 8.040 -0.162 19879 2172 1 8 . 1 1 41 41 GLN N N 41 116.956 116.956 117.334 -0.378 19879 2173 1 8 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.996 -0.285 19879 2174 1 8 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.544 -0.984 19879 2175 1 8 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.306 -0.772 19879 2176 1 8 . 1 1 41 41 GLN H H 41 7.957 7.957 8.220 -0.263 19879 2177 1 8 . 1 1 42 42 GLU N N 42 117.014 117.014 119.879 -2.865 19879 2178 1 8 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.168 -0.133 19879 2179 1 8 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.307 -0.442 19879 2180 1 8 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.579 -0.480 19879 2181 1 8 . 1 1 42 42 GLU H H 42 7.676 7.676 7.633 0.043 19879 2182 1 8 . 1 1 43 43 VAL N N 43 116.546 116.546 119.207 -2.661 19879 2183 1 8 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.938 -0.270 19879 2184 1 8 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.554 1.040 19879 2185 1 8 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.671 -1.052 19879 2186 1 8 . 1 1 43 43 VAL H H 43 7.566 7.566 7.514 0.052 19879 2187 1 8 . 1 1 44 44 LEU N N 44 118.168 118.168 117.371 0.797 19879 2188 1 8 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.233 -0.288 19879 2189 1 8 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.388 -0.024 19879 2190 1 8 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.094 -1.546 19879 2191 1 8 . 1 1 44 44 LEU H H 44 8.199 8.199 8.073 0.126 19879 2192 1 8 . 1 1 45 45 ASP N N 45 116.834 116.834 117.733 -0.899 19879 2193 1 8 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.606 -0.128 19879 2194 1 8 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.140 -1.406 19879 2195 1 8 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.765 -1.209 19879 2196 1 8 . 1 1 45 45 ASP H H 45 7.776 7.776 7.699 0.076 19879 2197 1 8 . 1 1 46 46 LEU N N 46 121.360 121.360 118.233 3.127 19879 2198 1 8 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.397 0.045 19879 2199 1 8 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.193 -1.134 19879 2200 1 8 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.353 -1.206 19879 2201 1 8 . 1 1 46 46 LEU H H 46 7.548 7.548 7.386 0.162 19879 2202 1 8 . 1 1 47 47 LYS N N 47 116.693 116.693 120.793 -4.100 19879 2203 1 8 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.358 -0.181 19879 2204 1 8 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.908 1.551 19879 2205 1 8 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.400 0.385 19879 2206 1 8 . 1 1 47 47 LYS H H 47 8.586 8.586 8.447 0.139 19879 2207 1 8 . 1 1 48 48 THR N N 48 107.567 107.567 113.049 -5.482 19879 2208 1 8 . 1 1 48 48 THR HA H 48 5.013 5.013 4.753 0.260 19879 2209 1 8 . 1 1 48 48 THR CA C 48 57.421 57.421 58.597 -1.176 19879 2210 1 8 . 1 1 48 48 THR CB C 48 69.457 69.457 69.056 0.401 19879 2211 1 8 . 1 1 48 48 THR H H 48 7.459 7.459 7.621 -0.162 19879 2212 1 8 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.188 0.148 19879 2213 1 8 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.334 -1.167 19879 2214 1 8 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.732 -0.484 19879 2215 1 8 . 1 1 50 50 GLU N N 50 117.217 117.217 117.029 0.188 19879 2216 1 8 . 1 1 50 50 GLU HA H 50 3.818 3.818 4.087 -0.269 19879 2217 1 8 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.824 0.282 19879 2218 1 8 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.895 -0.791 19879 2219 1 8 . 1 1 50 50 GLU H H 50 9.036 9.036 8.829 0.207 19879 2220 1 8 . 1 1 51 51 GLU N N 51 117.482 117.482 119.596 -2.114 19879 2221 1 8 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.154 -0.243 19879 2222 1 8 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.938 -0.331 19879 2223 1 8 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.295 1.309 19879 2224 1 8 . 1 1 51 51 GLU H H 51 7.561 7.561 7.833 -0.272 19879 2225 1 8 . 1 1 52 52 GLN N N 52 118.967 118.967 119.182 -0.215 19879 2226 1 8 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.939 -0.150 19879 2227 1 8 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.113 -0.143 19879 2228 1 8 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.670 -1.148 19879 2229 1 8 . 1 1 52 52 GLN H H 52 8.125 8.125 8.058 0.067 19879 2230 1 8 . 1 1 53 53 ALA N N 53 119.946 119.946 121.581 -1.635 19879 2231 1 8 . 1 1 53 53 ALA HA H 53 3.747 3.747 4.040 -0.293 19879 2232 1 8 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.006 -0.247 19879 2233 1 8 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.266 0.088 19879 2234 1 8 . 1 1 53 53 ALA H H 53 8.698 8.698 7.737 0.961 19879 2235 1 8 . 1 1 54 54 LYS N N 54 115.558 115.558 117.492 -1.934 19879 2236 1 8 . 1 1 54 54 LYS HA H 54 3.692 3.692 4.010 -0.318 19879 2237 1 8 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.378 -0.242 19879 2238 1 8 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.218 -0.425 19879 2239 1 8 . 1 1 54 54 LYS H H 54 7.647 7.647 7.675 -0.028 19879 2240 1 8 . 1 1 55 55 LYS N N 55 119.514 119.514 119.202 0.312 19879 2241 1 8 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.213 -0.361 19879 2242 1 8 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.750 -2.381 19879 2243 1 8 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.377 -2.276 19879 2244 1 8 . 1 1 55 55 LYS H H 55 7.593 7.593 7.922 -0.329 19879 2245 1 8 . 1 1 56 56 LEU N N 56 118.162 118.162 121.048 -2.886 19879 2246 1 8 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.125 -0.290 19879 2247 1 8 . 1 1 56 56 LEU CA C 56 57.881 57.881 57.753 0.128 19879 2248 1 8 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.157 -1.095 19879 2249 1 8 . 1 1 56 56 LEU H H 56 8.035 8.035 7.182 0.853 19879 2250 1 8 . 1 1 57 57 ILE N N 57 116.360 116.360 118.725 -2.365 19879 2251 1 8 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.586 -0.054 19879 2252 1 8 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.647 -3.040 19879 2253 1 8 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.680 -2.488 19879 2254 1 8 . 1 1 57 57 ILE H H 57 7.769 7.769 7.682 0.087 19879 2255 1 8 . 1 1 58 58 ASP N N 58 121.683 121.683 119.893 1.790 19879 2256 1 8 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.487 -0.251 19879 2257 1 8 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.757 -0.677 19879 2258 1 8 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.697 -0.700 19879 2259 1 8 . 1 1 58 58 ASP H H 58 7.859 7.859 8.020 -0.161 19879 2260 1 8 . 1 1 59 59 PHE N N 59 115.587 115.587 118.906 -3.319 19879 2261 1 8 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.292 0.158 19879 2262 1 8 . 1 1 59 59 PHE CA C 59 57.353 57.353 61.462 -4.109 19879 2263 1 8 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.945 -3.195 19879 2264 1 8 . 1 1 59 59 PHE H H 59 7.968 7.968 7.627 0.341 19879 2265 1 8 . 1 1 60 60 ILE N N 60 117.997 117.997 114.788 3.209 19879 2266 1 8 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.209 -0.425 19879 2267 1 8 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.158 0.667 19879 2268 1 8 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.149 -0.212 19879 2269 1 8 . 1 1 60 60 ILE H H 60 7.787 7.787 7.646 0.141 19879 2270 1 8 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.321 -0.188 19879 2271 1 8 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.472 -0.011 19879 2272 1 8 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.361 -2.372 19879 2273 1 9 . 1 1 2 2 THR N N 2 116.344 116.344 114.060 2.284 19879 2274 1 9 . 1 1 2 2 THR HA H 2 4.607 4.607 4.812 -0.205 19879 2275 1 9 . 1 1 2 2 THR CA C 2 59.469 59.469 59.312 0.157 19879 2276 1 9 . 1 1 2 2 THR CB C 2 67.629 67.629 70.514 -2.885 19879 2277 1 9 . 1 1 2 2 THR H H 2 8.950 8.950 7.673 1.277 19879 2278 1 9 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.326 -0.151 19879 2279 1 9 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.114 0.069 19879 2280 1 9 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.052 -1.086 19879 2281 1 9 . 1 1 4 4 GLU N N 4 116.437 116.437 116.248 0.189 19879 2282 1 9 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.268 -0.252 19879 2283 1 9 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.131 0.695 19879 2284 1 9 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.455 -1.191 19879 2285 1 9 . 1 1 4 4 GLU H H 4 8.943 8.943 8.750 0.193 19879 2286 1 9 . 1 1 5 5 GLN N N 5 120.183 120.183 119.100 1.083 19879 2287 1 9 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.251 -0.507 19879 2288 1 9 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.723 0.376 19879 2289 1 9 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.115 -1.274 19879 2290 1 9 . 1 1 5 5 GLN H H 5 7.708 7.708 7.710 -0.002 19879 2291 1 9 . 1 1 6 6 ARG N N 6 119.108 119.108 117.877 1.231 19879 2292 1 9 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.143 -0.053 19879 2293 1 9 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.298 0.661 19879 2294 1 9 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.114 -0.935 19879 2295 1 9 . 1 1 6 6 ARG H H 6 8.391 8.391 7.859 0.532 19879 2296 1 9 . 1 1 7 7 GLU N N 7 116.726 116.726 117.592 -0.866 19879 2297 1 9 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.165 -0.070 19879 2298 1 9 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.577 -0.223 19879 2299 1 9 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.123 -0.982 19879 2300 1 9 . 1 1 7 7 GLU H H 7 8.000 8.000 7.640 0.360 19879 2301 1 9 . 1 1 8 8 PHE N N 8 119.217 119.217 116.486 2.731 19879 2302 1 9 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.630 0.030 19879 2303 1 9 . 1 1 8 8 PHE CA C 8 58.055 58.055 58.751 -0.696 19879 2304 1 9 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.898 -0.162 19879 2305 1 9 . 1 1 8 8 PHE H H 8 7.706 7.706 7.667 0.039 19879 2306 1 9 . 1 1 9 9 LEU N N 9 119.532 119.532 121.557 -2.025 19879 2307 1 9 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.237 -0.244 19879 2308 1 9 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.972 -1.346 19879 2309 1 9 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.961 -0.666 19879 2310 1 9 . 1 1 9 9 LEU H H 9 7.840 7.840 7.778 0.062 19879 2311 1 9 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.361 -0.256 19879 2312 1 9 . 1 1 10 10 PRO CA C 10 65.682 65.682 64.366 1.316 19879 2313 1 9 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.085 -0.596 19879 2314 1 9 . 1 1 11 11 GLU N N 11 116.603 116.603 116.410 0.193 19879 2315 1 9 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.349 -0.370 19879 2316 1 9 . 1 1 11 11 GLU CA C 11 58.338 58.338 57.786 0.552 19879 2317 1 9 . 1 1 11 11 GLU CB C 11 28.364 28.364 30.598 -2.234 19879 2318 1 9 . 1 1 11 11 GLU H H 11 8.019 8.019 8.009 0.010 19879 2319 1 9 . 1 1 12 12 ILE N N 12 120.060 120.060 117.445 2.615 19879 2320 1 9 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.063 -0.741 19879 2321 1 9 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.684 0.841 19879 2322 1 9 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.675 -0.557 19879 2323 1 9 . 1 1 12 12 ILE H H 12 7.398 7.398 7.308 0.090 19879 2324 1 9 . 1 1 13 13 LEU N N 13 117.822 117.822 118.445 -0.623 19879 2325 1 9 . 1 1 13 13 LEU HA H 13 3.701 3.701 4.048 -0.347 19879 2326 1 9 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.765 -0.406 19879 2327 1 9 . 1 1 13 13 LEU CB C 13 40.532 40.532 40.277 0.255 19879 2328 1 9 . 1 1 13 13 LEU H H 13 7.492 7.492 7.479 0.013 19879 2329 1 9 . 1 1 14 14 ALA N N 14 118.447 118.447 121.419 -2.972 19879 2330 1 9 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.010 -0.059 19879 2331 1 9 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.071 -0.906 19879 2332 1 9 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.125 -0.889 19879 2333 1 9 . 1 1 14 14 ALA H H 14 8.038 8.038 7.839 0.199 19879 2334 1 9 . 1 1 15 15 GLU N N 15 117.320 117.320 116.802 0.518 19879 2335 1 9 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.163 -0.071 19879 2336 1 9 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.193 -0.701 19879 2337 1 9 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.621 -1.174 19879 2338 1 9 . 1 1 15 15 GLU H H 15 7.085 7.085 8.046 -0.961 19879 2339 1 9 . 1 1 16 16 ILE N N 16 116.223 116.223 118.549 -2.326 19879 2340 1 9 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.025 -0.417 19879 2341 1 9 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.657 1.363 19879 2342 1 9 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.700 -0.978 19879 2343 1 9 . 1 1 16 16 ILE H H 16 7.331 7.331 7.134 0.197 19879 2344 1 9 . 1 1 17 17 ILE N N 17 116.602 116.602 120.313 -3.711 19879 2345 1 9 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.733 -0.085 19879 2346 1 9 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.729 -1.450 19879 2347 1 9 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.673 -0.214 19879 2348 1 9 . 1 1 17 17 ILE H H 17 8.214 8.214 7.546 0.668 19879 2349 1 9 . 1 1 18 18 ALA N N 18 119.329 119.329 120.178 -0.849 19879 2350 1 9 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.313 -0.133 19879 2351 1 9 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.351 0.385 19879 2352 1 9 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.269 -0.695 19879 2353 1 9 . 1 1 18 18 ALA H H 18 8.056 8.056 8.094 -0.038 19879 2354 1 9 . 1 1 19 19 ASN N N 19 110.910 110.910 115.626 -4.716 19879 2355 1 9 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.898 0.124 19879 2356 1 9 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.917 0.673 19879 2357 1 9 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.342 0.752 19879 2358 1 9 . 1 1 19 19 ASN H H 19 7.295 7.295 7.746 -0.451 19879 2359 1 9 . 1 1 20 20 LEU N N 20 119.881 119.881 120.825 -0.944 19879 2360 1 9 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.464 0.259 19879 2361 1 9 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.640 -1.153 19879 2362 1 9 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.842 -1.033 19879 2363 1 9 . 1 1 20 20 LEU H H 20 8.134 8.134 7.290 0.844 19879 2364 1 9 . 1 1 21 21 ASP N N 21 119.289 119.289 123.948 -4.659 19879 2365 1 9 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.035 0.080 19879 2366 1 9 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.741 -2.168 19879 2367 1 9 . 1 1 21 21 ASP CB C 21 41.252 41.252 41.975 -0.723 19879 2368 1 9 . 1 1 21 21 ASP H H 21 8.081 8.081 8.326 -0.245 19879 2369 1 9 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.164 -0.228 19879 2370 1 9 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.922 -0.571 19879 2371 1 9 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.739 -0.212 19879 2372 1 9 . 1 1 23 23 THR N N 23 109.956 109.956 110.136 -0.180 19879 2373 1 9 . 1 1 23 23 THR HA H 23 3.770 3.770 4.063 -0.293 19879 2374 1 9 . 1 1 23 23 THR CA C 23 65.649 65.649 65.433 0.216 19879 2375 1 9 . 1 1 23 23 THR CB C 23 67.525 67.525 68.551 -1.026 19879 2376 1 9 . 1 1 23 23 THR H H 23 8.130 8.130 8.049 0.081 19879 2377 1 9 . 1 1 24 24 LYS N N 24 121.423 121.423 122.580 -1.157 19879 2378 1 9 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.160 0.004 19879 2379 1 9 . 1 1 24 24 LYS CA C 24 57.783 57.783 59.077 -1.294 19879 2380 1 9 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.560 -1.131 19879 2381 1 9 . 1 1 24 24 LYS H H 24 7.410 7.410 7.907 -0.497 19879 2382 1 9 . 1 1 25 25 ILE N N 25 118.727 118.727 115.346 3.381 19879 2383 1 9 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.899 -0.451 19879 2384 1 9 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.783 0.156 19879 2385 1 9 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.814 -0.666 19879 2386 1 9 . 1 1 25 25 ILE H H 25 7.255 7.255 7.387 -0.132 19879 2387 1 9 . 1 1 26 26 LEU N N 26 117.967 117.967 121.246 -3.279 19879 2388 1 9 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.913 -0.180 19879 2389 1 9 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.320 -0.736 19879 2390 1 9 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.547 -0.677 19879 2391 1 9 . 1 1 26 26 LEU H H 26 7.893 7.893 7.580 0.313 19879 2392 1 9 . 1 1 27 27 GLU N N 27 117.202 117.202 118.742 -1.540 19879 2393 1 9 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.966 -0.170 19879 2394 1 9 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.618 -0.636 19879 2395 1 9 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.317 -0.543 19879 2396 1 9 . 1 1 27 27 GLU H H 27 7.851 7.851 7.717 0.134 19879 2397 1 9 . 1 1 28 28 GLU N N 28 119.243 119.243 118.298 0.945 19879 2398 1 9 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.181 -0.054 19879 2399 1 9 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.423 -1.206 19879 2400 1 9 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.539 -1.340 19879 2401 1 9 . 1 1 28 28 GLU H H 28 7.597 7.597 7.992 -0.395 19879 2402 1 9 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.137 -0.262 19879 2403 1 9 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.283 0.159 19879 2404 1 9 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.038 -1.227 19879 2405 1 9 . 1 1 30 30 LEU N N 30 121.505 121.505 119.072 2.433 19879 2406 1 9 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.044 0.071 19879 2407 1 9 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.496 0.363 19879 2408 1 9 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.677 -0.411 19879 2409 1 9 . 1 1 30 30 LEU H H 30 8.508 8.508 7.700 0.808 19879 2410 1 9 . 1 1 31 31 ARG N N 31 120.484 120.484 118.237 2.247 19879 2411 1 9 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.116 -0.067 19879 2412 1 9 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.522 -0.053 19879 2413 1 9 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.150 -0.777 19879 2414 1 9 . 1 1 31 31 ARG H H 31 8.274 8.274 7.515 0.759 19879 2415 1 9 . 1 1 32 32 ARG N N 32 114.502 114.502 117.611 -3.109 19879 2416 1 9 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.384 0.069 19879 2417 1 9 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.131 -2.469 19879 2418 1 9 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.234 -0.733 19879 2419 1 9 . 1 1 32 32 ARG H H 32 7.291 7.291 7.818 -0.527 19879 2420 1 9 . 1 1 33 33 GLY N N 33 108.310 108.310 107.595 0.715 19879 2421 1 9 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.377 0.214 19879 2422 1 9 . 1 1 33 33 GLY H H 33 8.134 8.134 7.556 0.578 19879 2423 1 9 . 1 1 34 34 LEU N N 34 117.715 117.715 119.401 -1.686 19879 2424 1 9 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.509 -0.104 19879 2425 1 9 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.206 -1.879 19879 2426 1 9 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.968 -1.438 19879 2427 1 9 . 1 1 34 34 LEU H H 34 8.121 8.121 7.746 0.375 19879 2428 1 9 . 1 1 35 35 LEU N N 35 119.920 119.920 120.176 -0.256 19879 2429 1 9 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.716 -0.151 19879 2430 1 9 . 1 1 35 35 LEU CA C 35 52.823 52.823 54.000 -1.177 19879 2431 1 9 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.130 2.596 19879 2432 1 9 . 1 1 35 35 LEU H H 35 7.219 7.219 7.500 -0.281 19879 2433 1 9 . 1 1 36 36 THR N N 36 115.405 115.405 115.693 -0.288 19879 2434 1 9 . 1 1 36 36 THR HA H 36 4.743 4.743 4.798 -0.055 19879 2435 1 9 . 1 1 36 36 THR CA C 36 59.034 59.034 58.672 0.362 19879 2436 1 9 . 1 1 36 36 THR CB C 36 68.143 68.143 69.123 -0.980 19879 2437 1 9 . 1 1 36 36 THR H H 36 8.948 8.948 8.380 0.569 19879 2438 1 9 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.379 -0.292 19879 2439 1 9 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.172 -0.065 19879 2440 1 9 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.474 -0.637 19879 2441 1 9 . 1 1 38 38 ALA N N 38 119.090 119.090 119.654 -0.564 19879 2442 1 9 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.226 -0.126 19879 2443 1 9 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.831 -0.544 19879 2444 1 9 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.371 -0.682 19879 2445 1 9 . 1 1 38 38 ALA H H 38 7.975 7.975 8.430 -0.455 19879 2446 1 9 . 1 1 39 39 GLU N N 39 120.475 120.475 118.774 1.701 19879 2447 1 9 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.116 -0.331 19879 2448 1 9 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.722 -0.438 19879 2449 1 9 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.717 -0.461 19879 2450 1 9 . 1 1 39 39 GLU H H 39 7.592 7.592 7.832 -0.240 19879 2451 1 9 . 1 1 40 40 LEU N N 40 118.126 118.126 121.581 -3.455 19879 2452 1 9 . 1 1 40 40 LEU HA H 40 3.827 3.827 4.066 -0.239 19879 2453 1 9 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.300 -0.281 19879 2454 1 9 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.158 -1.214 19879 2455 1 9 . 1 1 40 40 LEU H H 40 7.878 7.878 8.046 -0.168 19879 2456 1 9 . 1 1 41 41 GLN N N 41 116.956 116.956 117.801 -0.845 19879 2457 1 9 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.976 -0.265 19879 2458 1 9 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.929 -1.369 19879 2459 1 9 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.302 -0.768 19879 2460 1 9 . 1 1 41 41 GLN H H 41 7.957 7.957 8.080 -0.123 19879 2461 1 9 . 1 1 42 42 GLU N N 42 117.014 117.014 119.375 -2.361 19879 2462 1 9 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.150 -0.115 19879 2463 1 9 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.222 -0.357 19879 2464 1 9 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.216 -0.117 19879 2465 1 9 . 1 1 42 42 GLU H H 42 7.676 7.676 7.554 0.122 19879 2466 1 9 . 1 1 43 43 VAL N N 43 116.546 116.546 118.974 -2.428 19879 2467 1 9 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.878 -0.210 19879 2468 1 9 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.121 0.473 19879 2469 1 9 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.903 -1.284 19879 2470 1 9 . 1 1 43 43 VAL H H 43 7.566 7.566 7.512 0.054 19879 2471 1 9 . 1 1 44 44 LEU N N 44 118.168 118.168 117.894 0.274 19879 2472 1 9 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.276 -0.331 19879 2473 1 9 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.353 0.011 19879 2474 1 9 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.271 -1.723 19879 2475 1 9 . 1 1 44 44 LEU H H 44 8.199 8.199 8.091 0.108 19879 2476 1 9 . 1 1 45 45 ASP N N 45 116.834 116.834 118.190 -1.356 19879 2477 1 9 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.560 -0.082 19879 2478 1 9 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.301 -1.567 19879 2479 1 9 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.847 -1.291 19879 2480 1 9 . 1 1 45 45 ASP H H 45 7.776 7.776 7.473 0.303 19879 2481 1 9 . 1 1 46 46 LEU N N 46 121.360 121.360 118.166 3.194 19879 2482 1 9 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.400 0.042 19879 2483 1 9 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.284 -1.225 19879 2484 1 9 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.388 -1.241 19879 2485 1 9 . 1 1 46 46 LEU H H 46 7.548 7.548 7.398 0.150 19879 2486 1 9 . 1 1 47 47 LYS N N 47 116.693 116.693 120.257 -3.564 19879 2487 1 9 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.406 -0.229 19879 2488 1 9 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.781 1.679 19879 2489 1 9 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.563 0.222 19879 2490 1 9 . 1 1 47 47 LYS H H 47 8.586 8.586 8.517 0.069 19879 2491 1 9 . 1 1 48 48 THR N N 48 107.567 107.567 113.864 -6.297 19879 2492 1 9 . 1 1 48 48 THR HA H 48 5.013 5.013 4.756 0.257 19879 2493 1 9 . 1 1 48 48 THR CA C 48 57.421 57.421 58.477 -1.056 19879 2494 1 9 . 1 1 48 48 THR CB C 48 69.457 69.457 68.970 0.487 19879 2495 1 9 . 1 1 48 48 THR H H 48 7.459 7.459 7.559 -0.100 19879 2496 1 9 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.172 0.164 19879 2497 1 9 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.403 -1.236 19879 2498 1 9 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.791 -0.543 19879 2499 1 9 . 1 1 50 50 GLU N N 50 117.217 117.217 116.792 0.425 19879 2500 1 9 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.987 -0.169 19879 2501 1 9 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.953 0.153 19879 2502 1 9 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.002 -0.898 19879 2503 1 9 . 1 1 50 50 GLU H H 50 9.036 9.036 8.808 0.228 19879 2504 1 9 . 1 1 51 51 GLU N N 51 117.482 117.482 119.599 -2.117 19879 2505 1 9 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.081 -0.170 19879 2506 1 9 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.126 -0.519 19879 2507 1 9 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.387 1.218 19879 2508 1 9 . 1 1 51 51 GLU H H 51 7.561 7.561 7.755 -0.194 19879 2509 1 9 . 1 1 52 52 GLN N N 52 118.967 118.967 119.004 -0.037 19879 2510 1 9 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.959 -0.170 19879 2511 1 9 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.070 -0.100 19879 2512 1 9 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.621 -1.099 19879 2513 1 9 . 1 1 52 52 GLN H H 52 8.125 8.125 8.097 0.028 19879 2514 1 9 . 1 1 53 53 ALA N N 53 119.946 119.946 121.500 -1.554 19879 2515 1 9 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.964 -0.217 19879 2516 1 9 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.144 -0.385 19879 2517 1 9 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.224 0.131 19879 2518 1 9 . 1 1 53 53 ALA H H 53 8.698 8.698 7.748 0.950 19879 2519 1 9 . 1 1 54 54 LYS N N 54 115.558 115.558 117.847 -2.289 19879 2520 1 9 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.989 -0.297 19879 2521 1 9 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.514 -0.378 19879 2522 1 9 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.216 -0.423 19879 2523 1 9 . 1 1 54 54 LYS H H 54 7.647 7.647 7.589 0.058 19879 2524 1 9 . 1 1 55 55 LYS N N 55 119.514 119.514 119.283 0.231 19879 2525 1 9 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.184 -0.333 19879 2526 1 9 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.733 -2.364 19879 2527 1 9 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.229 -2.128 19879 2528 1 9 . 1 1 55 55 LYS H H 55 7.593 7.593 7.920 -0.327 19879 2529 1 9 . 1 1 56 56 LEU N N 56 118.162 118.162 121.352 -3.190 19879 2530 1 9 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.080 -0.245 19879 2531 1 9 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.066 -0.185 19879 2532 1 9 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.190 -1.128 19879 2533 1 9 . 1 1 56 56 LEU H H 56 8.035 8.035 7.441 0.594 19879 2534 1 9 . 1 1 57 57 ILE N N 57 116.360 116.360 118.888 -2.528 19879 2535 1 9 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.585 -0.053 19879 2536 1 9 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.740 -3.134 19879 2537 1 9 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.680 -2.488 19879 2538 1 9 . 1 1 57 57 ILE H H 57 7.769 7.769 7.815 -0.046 19879 2539 1 9 . 1 1 58 58 ASP N N 58 121.683 121.683 120.118 1.565 19879 2540 1 9 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.500 -0.264 19879 2541 1 9 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.924 -0.844 19879 2542 1 9 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.736 -0.739 19879 2543 1 9 . 1 1 58 58 ASP H H 58 7.859 7.859 8.066 -0.207 19879 2544 1 9 . 1 1 59 59 PHE N N 59 115.587 115.587 117.700 -2.113 19879 2545 1 9 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.321 0.129 19879 2546 1 9 . 1 1 59 59 PHE CA C 59 57.353 57.353 61.249 -3.896 19879 2547 1 9 . 1 1 59 59 PHE CB C 59 36.750 36.750 40.019 -3.269 19879 2548 1 9 . 1 1 59 59 PHE H H 59 7.968 7.968 7.331 0.637 19879 2549 1 9 . 1 1 60 60 ILE N N 60 117.997 117.997 115.849 2.148 19879 2550 1 9 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.189 -0.405 19879 2551 1 9 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.386 0.439 19879 2552 1 9 . 1 1 60 60 ILE CB C 60 37.937 37.937 37.928 0.009 19879 2553 1 9 . 1 1 60 60 ILE H H 60 7.787 7.787 7.686 0.101 19879 2554 1 9 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.224 -0.091 19879 2555 1 9 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.080 -0.619 19879 2556 1 9 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.115 -2.126 19879 2557 1 10 . 1 1 2 2 THR N N 2 116.344 116.344 113.745 2.599 19879 2558 1 10 . 1 1 2 2 THR HA H 2 4.607 4.607 4.818 -0.211 19879 2559 1 10 . 1 1 2 2 THR CA C 2 59.469 59.469 59.249 0.220 19879 2560 1 10 . 1 1 2 2 THR CB C 2 67.629 67.629 70.334 -2.705 19879 2561 1 10 . 1 1 2 2 THR H H 2 8.950 8.950 7.705 1.245 19879 2562 1 10 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.299 -0.124 19879 2563 1 10 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.051 0.132 19879 2564 1 10 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.168 -1.202 19879 2565 1 10 . 1 1 4 4 GLU N N 4 116.437 116.437 116.998 -0.561 19879 2566 1 10 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.364 -0.348 19879 2567 1 10 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.808 0.018 19879 2568 1 10 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.210 -0.946 19879 2569 1 10 . 1 1 4 4 GLU H H 4 8.943 8.943 8.916 0.027 19879 2570 1 10 . 1 1 5 5 GLN N N 5 120.183 120.183 118.460 1.723 19879 2571 1 10 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.543 -0.799 19879 2572 1 10 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.434 0.665 19879 2573 1 10 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.282 -1.440 19879 2574 1 10 . 1 1 5 5 GLN H H 5 7.708 7.708 7.692 0.016 19879 2575 1 10 . 1 1 6 6 ARG N N 6 119.108 119.108 118.700 0.408 19879 2576 1 10 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.159 -0.069 19879 2577 1 10 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.699 0.260 19879 2578 1 10 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.325 -1.146 19879 2579 1 10 . 1 1 6 6 ARG H H 6 8.391 8.391 8.138 0.253 19879 2580 1 10 . 1 1 7 7 GLU N N 7 116.726 116.726 118.337 -1.611 19879 2581 1 10 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.267 -0.172 19879 2582 1 10 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.486 -1.132 19879 2583 1 10 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.160 -1.019 19879 2584 1 10 . 1 1 7 7 GLU H H 7 8.000 8.000 7.889 0.111 19879 2585 1 10 . 1 1 8 8 PHE N N 8 119.217 119.217 117.442 1.775 19879 2586 1 10 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.661 -0.001 19879 2587 1 10 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.370 -1.315 19879 2588 1 10 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.620 1.116 19879 2589 1 10 . 1 1 8 8 PHE H H 8 7.706 7.706 8.078 -0.372 19879 2590 1 10 . 1 1 9 9 LEU N N 9 119.532 119.532 121.984 -2.452 19879 2591 1 10 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.353 -0.361 19879 2592 1 10 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.088 -0.462 19879 2593 1 10 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.312 -1.018 19879 2594 1 10 . 1 1 9 9 LEU H H 9 7.840 7.840 7.528 0.312 19879 2595 1 10 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.298 -0.193 19879 2596 1 10 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.099 0.583 19879 2597 1 10 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.134 -0.645 19879 2598 1 10 . 1 1 11 11 GLU N N 11 116.603 116.603 116.827 -0.224 19879 2599 1 10 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.189 -0.210 19879 2600 1 10 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.719 -0.381 19879 2601 1 10 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.852 -1.488 19879 2602 1 10 . 1 1 11 11 GLU H H 11 8.019 8.019 8.506 -0.487 19879 2603 1 10 . 1 1 12 12 ILE N N 12 120.060 120.060 117.326 2.734 19879 2604 1 10 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.032 -0.710 19879 2605 1 10 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.029 1.496 19879 2606 1 10 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.706 -0.588 19879 2607 1 10 . 1 1 12 12 ILE H H 12 7.398 7.398 7.342 0.056 19879 2608 1 10 . 1 1 13 13 LEU N N 13 117.822 117.822 120.850 -3.028 19879 2609 1 10 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.895 -0.194 19879 2610 1 10 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.138 -0.779 19879 2611 1 10 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.637 -1.105 19879 2612 1 10 . 1 1 13 13 LEU H H 13 7.492 7.492 7.677 -0.185 19879 2613 1 10 . 1 1 14 14 ALA N N 14 118.447 118.447 119.712 -1.265 19879 2614 1 10 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.014 -0.063 19879 2615 1 10 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.022 -0.857 19879 2616 1 10 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.178 -0.942 19879 2617 1 10 . 1 1 14 14 ALA H H 14 8.038 8.038 7.666 0.372 19879 2618 1 10 . 1 1 15 15 GLU N N 15 117.320 117.320 116.628 0.692 19879 2619 1 10 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.179 -0.087 19879 2620 1 10 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.986 -0.494 19879 2621 1 10 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.744 -1.297 19879 2622 1 10 . 1 1 15 15 GLU H H 15 7.085 7.085 7.867 -0.782 19879 2623 1 10 . 1 1 16 16 ILE N N 16 116.223 116.223 118.598 -2.375 19879 2624 1 10 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.075 -0.467 19879 2625 1 10 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.428 1.591 19879 2626 1 10 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.158 -1.436 19879 2627 1 10 . 1 1 16 16 ILE H H 16 7.331 7.331 7.180 0.151 19879 2628 1 10 . 1 1 17 17 ILE N N 17 116.602 116.602 119.777 -3.175 19879 2629 1 10 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.783 -0.135 19879 2630 1 10 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.832 -1.553 19879 2631 1 10 . 1 1 17 17 ILE CB C 17 37.459 37.459 38.022 -0.563 19879 2632 1 10 . 1 1 17 17 ILE H H 17 8.214 8.214 7.460 0.754 19879 2633 1 10 . 1 1 18 18 ALA N N 18 119.329 119.329 120.328 -0.999 19879 2634 1 10 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.340 -0.160 19879 2635 1 10 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.334 0.402 19879 2636 1 10 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.277 -0.703 19879 2637 1 10 . 1 1 18 18 ALA H H 18 8.056 8.056 7.774 0.282 19879 2638 1 10 . 1 1 19 19 ASN N N 19 110.910 110.910 115.634 -4.724 19879 2639 1 10 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.857 0.165 19879 2640 1 10 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.878 0.712 19879 2641 1 10 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.945 1.149 19879 2642 1 10 . 1 1 19 19 ASN H H 19 7.295 7.295 7.801 -0.506 19879 2643 1 10 . 1 1 20 20 LEU N N 20 119.881 119.881 120.485 -0.604 19879 2644 1 10 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.583 0.140 19879 2645 1 10 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.681 -1.194 19879 2646 1 10 . 1 1 20 20 LEU CB C 20 43.809 43.809 45.271 -1.462 19879 2647 1 10 . 1 1 20 20 LEU H H 20 8.134 8.134 7.369 0.765 19879 2648 1 10 . 1 1 21 21 ASP N N 21 119.289 119.289 123.976 -4.687 19879 2649 1 10 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.069 0.046 19879 2650 1 10 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.925 -2.352 19879 2651 1 10 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.805 -1.553 19879 2652 1 10 . 1 1 21 21 ASP H H 21 8.081 8.081 8.455 -0.374 19879 2653 1 10 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.247 -0.311 19879 2654 1 10 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.797 -0.446 19879 2655 1 10 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.839 -0.312 19879 2656 1 10 . 1 1 23 23 THR N N 23 109.956 109.956 110.665 -0.709 19879 2657 1 10 . 1 1 23 23 THR HA H 23 3.770 3.770 4.145 -0.375 19879 2658 1 10 . 1 1 23 23 THR CA C 23 65.649 65.649 65.701 -0.052 19879 2659 1 10 . 1 1 23 23 THR CB C 23 67.525 67.525 68.221 -0.696 19879 2660 1 10 . 1 1 23 23 THR H H 23 8.130 8.130 8.266 -0.136 19879 2661 1 10 . 1 1 24 24 LYS N N 24 121.423 121.423 122.184 -0.761 19879 2662 1 10 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.236 -0.072 19879 2663 1 10 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.777 -0.994 19879 2664 1 10 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.683 -1.254 19879 2665 1 10 . 1 1 24 24 LYS H H 24 7.410 7.410 7.636 -0.226 19879 2666 1 10 . 1 1 25 25 ILE N N 25 118.727 118.727 115.533 3.194 19879 2667 1 10 . 1 1 25 25 ILE HA H 25 3.448 3.448 4.201 -0.753 19879 2668 1 10 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.206 0.733 19879 2669 1 10 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.977 -0.829 19879 2670 1 10 . 1 1 25 25 ILE H H 25 7.255 7.255 7.420 -0.165 19879 2671 1 10 . 1 1 26 26 LEU N N 26 117.967 117.967 121.800 -3.833 19879 2672 1 10 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.876 -0.143 19879 2673 1 10 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.612 -1.028 19879 2674 1 10 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.742 -0.872 19879 2675 1 10 . 1 1 26 26 LEU H H 26 7.893 7.893 7.618 0.275 19879 2676 1 10 . 1 1 27 27 GLU N N 27 117.202 117.202 117.890 -0.688 19879 2677 1 10 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.929 -0.133 19879 2678 1 10 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.553 -0.571 19879 2679 1 10 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.267 -0.492 19879 2680 1 10 . 1 1 27 27 GLU H H 27 7.851 7.851 8.129 -0.278 19879 2681 1 10 . 1 1 28 28 GLU N N 28 119.243 119.243 119.468 -0.225 19879 2682 1 10 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.124 0.003 19879 2683 1 10 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.898 -1.681 19879 2684 1 10 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.301 -1.102 19879 2685 1 10 . 1 1 28 28 GLU H H 28 7.597 7.597 7.605 -0.008 19879 2686 1 10 . 1 1 29 29 LEU HA H 29 3.875 3.875 3.939 -0.064 19879 2687 1 10 . 1 1 29 29 LEU CA C 29 57.442 57.442 58.056 -0.614 19879 2688 1 10 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.061 -1.250 19879 2689 1 10 . 1 1 30 30 LEU N N 30 121.505 121.505 118.495 3.010 19879 2690 1 10 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.041 0.074 19879 2691 1 10 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.249 0.610 19879 2692 1 10 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.633 -0.367 19879 2693 1 10 . 1 1 30 30 LEU H H 30 8.508 8.508 7.850 0.658 19879 2694 1 10 . 1 1 31 31 ARG N N 31 120.484 120.484 119.124 1.360 19879 2695 1 10 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.112 -0.063 19879 2696 1 10 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.315 0.154 19879 2697 1 10 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.090 -0.717 19879 2698 1 10 . 1 1 31 31 ARG H H 31 8.274 8.274 7.572 0.702 19879 2699 1 10 . 1 1 32 32 ARG N N 32 114.502 114.502 116.771 -2.269 19879 2700 1 10 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.401 0.052 19879 2701 1 10 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.821 -2.159 19879 2702 1 10 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.509 -1.008 19879 2703 1 10 . 1 1 32 32 ARG H H 32 7.291 7.291 7.646 -0.355 19879 2704 1 10 . 1 1 33 33 GLY N N 33 108.310 108.310 107.567 0.743 19879 2705 1 10 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.357 0.234 19879 2706 1 10 . 1 1 33 33 GLY H H 33 8.134 8.134 7.686 0.448 19879 2707 1 10 . 1 1 34 34 LEU N N 34 117.715 117.715 119.195 -1.480 19879 2708 1 10 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.460 -0.055 19879 2709 1 10 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.126 -1.798 19879 2710 1 10 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.139 -1.609 19879 2711 1 10 . 1 1 34 34 LEU H H 34 8.121 8.121 8.052 0.069 19879 2712 1 10 . 1 1 35 35 LEU N N 35 119.920 119.920 119.387 0.533 19879 2713 1 10 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.536 0.029 19879 2714 1 10 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.869 -1.046 19879 2715 1 10 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.010 2.716 19879 2716 1 10 . 1 1 35 35 LEU H H 35 7.219 7.219 7.522 -0.303 19879 2717 1 10 . 1 1 36 36 THR N N 36 115.405 115.405 114.677 0.728 19879 2718 1 10 . 1 1 36 36 THR HA H 36 4.743 4.743 4.861 -0.118 19879 2719 1 10 . 1 1 36 36 THR CA C 36 59.034 59.034 57.884 1.150 19879 2720 1 10 . 1 1 36 36 THR CB C 36 68.143 68.143 69.363 -1.220 19879 2721 1 10 . 1 1 36 36 THR H H 36 8.948 8.948 8.192 0.756 19879 2722 1 10 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.267 -0.180 19879 2723 1 10 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.231 -0.124 19879 2724 1 10 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.464 -0.627 19879 2725 1 10 . 1 1 38 38 ALA N N 38 119.090 119.090 120.459 -1.369 19879 2726 1 10 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.166 -0.066 19879 2727 1 10 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.886 -0.599 19879 2728 1 10 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.386 -0.697 19879 2729 1 10 . 1 1 38 38 ALA H H 38 7.975 7.975 8.290 -0.315 19879 2730 1 10 . 1 1 39 39 GLU N N 39 120.475 120.475 118.817 1.658 19879 2731 1 10 . 1 1 39 39 GLU HA H 39 3.785 3.785 3.972 -0.187 19879 2732 1 10 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.259 0.025 19879 2733 1 10 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.219 0.037 19879 2734 1 10 . 1 1 39 39 GLU H H 39 7.592 7.592 7.564 0.028 19879 2735 1 10 . 1 1 40 40 LEU N N 40 118.126 118.126 121.399 -3.273 19879 2736 1 10 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.842 -0.015 19879 2737 1 10 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.180 -0.161 19879 2738 1 10 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.105 -1.161 19879 2739 1 10 . 1 1 40 40 LEU H H 40 7.878 7.878 8.271 -0.393 19879 2740 1 10 . 1 1 41 41 GLN N N 41 116.956 116.956 116.875 0.081 19879 2741 1 10 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.918 -0.207 19879 2742 1 10 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.742 -1.182 19879 2743 1 10 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.281 -0.747 19879 2744 1 10 . 1 1 41 41 GLN H H 41 7.957 7.957 7.931 0.026 19879 2745 1 10 . 1 1 42 42 GLU N N 42 117.014 117.014 119.179 -2.165 19879 2746 1 10 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.158 -0.123 19879 2747 1 10 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.185 -0.320 19879 2748 1 10 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.804 -0.705 19879 2749 1 10 . 1 1 42 42 GLU H H 42 7.676 7.676 7.789 -0.113 19879 2750 1 10 . 1 1 43 43 VAL N N 43 116.546 116.546 119.305 -2.759 19879 2751 1 10 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.896 -0.228 19879 2752 1 10 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.969 0.626 19879 2753 1 10 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.929 -1.310 19879 2754 1 10 . 1 1 43 43 VAL H H 43 7.566 7.566 7.528 0.038 19879 2755 1 10 . 1 1 44 44 LEU N N 44 118.168 118.168 118.525 -0.357 19879 2756 1 10 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.271 -0.326 19879 2757 1 10 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.185 0.179 19879 2758 1 10 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.257 -1.709 19879 2759 1 10 . 1 1 44 44 LEU H H 44 8.199 8.199 8.151 0.048 19879 2760 1 10 . 1 1 45 45 ASP N N 45 116.834 116.834 118.822 -1.988 19879 2761 1 10 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.548 -0.070 19879 2762 1 10 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.615 -1.881 19879 2763 1 10 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.614 -1.058 19879 2764 1 10 . 1 1 45 45 ASP H H 45 7.776 7.776 7.396 0.380 19879 2765 1 10 . 1 1 46 46 LEU N N 46 121.360 121.360 117.333 4.027 19879 2766 1 10 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.366 0.076 19879 2767 1 10 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.225 -1.166 19879 2768 1 10 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.520 -1.373 19879 2769 1 10 . 1 1 46 46 LEU H H 46 7.548 7.548 7.416 0.132 19879 2770 1 10 . 1 1 47 47 LYS N N 47 116.693 116.693 120.379 -3.686 19879 2771 1 10 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.443 -0.266 19879 2772 1 10 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.033 1.426 19879 2773 1 10 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.394 0.391 19879 2774 1 10 . 1 1 47 47 LYS H H 47 8.586 8.586 8.543 0.043 19879 2775 1 10 . 1 1 48 48 THR N N 48 107.567 107.567 113.768 -6.201 19879 2776 1 10 . 1 1 48 48 THR HA H 48 5.013 5.013 4.763 0.250 19879 2777 1 10 . 1 1 48 48 THR CA C 48 57.421 57.421 58.443 -1.022 19879 2778 1 10 . 1 1 48 48 THR CB C 48 69.457 69.457 68.979 0.478 19879 2779 1 10 . 1 1 48 48 THR H H 48 7.459 7.459 7.562 -0.103 19879 2780 1 10 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.166 0.170 19879 2781 1 10 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.460 -1.293 19879 2782 1 10 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.789 -0.541 19879 2783 1 10 . 1 1 50 50 GLU N N 50 117.217 117.217 116.405 0.812 19879 2784 1 10 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.966 -0.148 19879 2785 1 10 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.883 0.223 19879 2786 1 10 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.980 -0.876 19879 2787 1 10 . 1 1 50 50 GLU H H 50 9.036 9.036 8.864 0.172 19879 2788 1 10 . 1 1 51 51 GLU N N 51 117.482 117.482 119.551 -2.069 19879 2789 1 10 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.075 -0.164 19879 2790 1 10 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.003 -0.396 19879 2791 1 10 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.404 1.200 19879 2792 1 10 . 1 1 51 51 GLU H H 51 7.561 7.561 7.693 -0.132 19879 2793 1 10 . 1 1 52 52 GLN N N 52 118.967 118.967 119.230 -0.263 19879 2794 1 10 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.985 -0.196 19879 2795 1 10 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.231 -0.261 19879 2796 1 10 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.628 -1.106 19879 2797 1 10 . 1 1 52 52 GLN H H 52 8.125 8.125 8.098 0.026 19879 2798 1 10 . 1 1 53 53 ALA N N 53 119.946 119.946 121.263 -1.317 19879 2799 1 10 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.971 -0.224 19879 2800 1 10 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.147 -0.388 19879 2801 1 10 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.272 0.082 19879 2802 1 10 . 1 1 53 53 ALA H H 53 8.698 8.698 7.726 0.972 19879 2803 1 10 . 1 1 54 54 LYS N N 54 115.558 115.558 118.249 -2.691 19879 2804 1 10 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.929 -0.237 19879 2805 1 10 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.461 -0.325 19879 2806 1 10 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.344 -0.551 19879 2807 1 10 . 1 1 54 54 LYS H H 54 7.647 7.647 7.678 -0.031 19879 2808 1 10 . 1 1 55 55 LYS N N 55 119.514 119.514 119.572 -0.058 19879 2809 1 10 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.851 0.001 19879 2810 1 10 . 1 1 55 55 LYS CA C 55 56.369 56.369 59.009 -2.640 19879 2811 1 10 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.194 -2.092 19879 2812 1 10 . 1 1 55 55 LYS H H 55 7.593 7.593 7.903 -0.310 19879 2813 1 10 . 1 1 56 56 LEU N N 56 118.162 118.162 121.109 -2.947 19879 2814 1 10 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.136 -0.301 19879 2815 1 10 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.594 -0.714 19879 2816 1 10 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.182 -1.120 19879 2817 1 10 . 1 1 56 56 LEU H H 56 8.035 8.035 7.565 0.470 19879 2818 1 10 . 1 1 57 57 ILE N N 57 116.360 116.360 118.029 -1.669 19879 2819 1 10 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.572 -0.040 19879 2820 1 10 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.350 -2.743 19879 2821 1 10 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.529 -2.337 19879 2822 1 10 . 1 1 57 57 ILE H H 57 7.769 7.769 7.861 -0.092 19879 2823 1 10 . 1 1 58 58 ASP N N 58 121.683 121.683 120.209 1.474 19879 2824 1 10 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.401 -0.165 19879 2825 1 10 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.709 -0.629 19879 2826 1 10 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.544 -0.547 19879 2827 1 10 . 1 1 58 58 ASP H H 58 7.859 7.859 7.782 0.077 19879 2828 1 10 . 1 1 59 59 PHE N N 59 115.587 115.587 117.085 -1.498 19879 2829 1 10 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.424 0.026 19879 2830 1 10 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.772 -2.419 19879 2831 1 10 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.417 -2.667 19879 2832 1 10 . 1 1 59 59 PHE H H 59 7.968 7.968 7.668 0.300 19879 2833 1 10 . 1 1 60 60 ILE N N 60 117.997 117.997 114.855 3.142 19879 2834 1 10 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.213 -0.429 19879 2835 1 10 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.570 1.255 19879 2836 1 10 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.127 -0.190 19879 2837 1 10 . 1 1 60 60 ILE H H 60 7.787 7.787 7.628 0.159 19879 2838 1 10 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.247 -0.114 19879 2839 1 10 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.055 -0.594 19879 2840 1 10 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.143 -2.154 19879 2841 1 11 . 1 1 2 2 THR N N 2 116.344 116.344 115.610 0.734 19879 2842 1 11 . 1 1 2 2 THR HA H 2 4.607 4.607 4.860 -0.253 19879 2843 1 11 . 1 1 2 2 THR CA C 2 59.469 59.469 59.484 -0.015 19879 2844 1 11 . 1 1 2 2 THR CB C 2 67.629 67.629 69.034 -1.405 19879 2845 1 11 . 1 1 2 2 THR H H 2 8.950 8.950 8.349 0.601 19879 2846 1 11 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.280 -0.105 19879 2847 1 11 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.257 -0.074 19879 2848 1 11 . 1 1 3 3 PRO CB C 3 30.966 30.966 31.944 -0.978 19879 2849 1 11 . 1 1 4 4 GLU N N 4 116.437 116.437 117.230 -0.793 19879 2850 1 11 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.260 -0.244 19879 2851 1 11 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.341 0.485 19879 2852 1 11 . 1 1 4 4 GLU CB C 4 28.264 28.264 28.931 -0.667 19879 2853 1 11 . 1 1 4 4 GLU H H 4 8.943 8.943 8.539 0.404 19879 2854 1 11 . 1 1 5 5 GLN N N 5 120.183 120.183 118.189 1.994 19879 2855 1 11 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.319 -0.575 19879 2856 1 11 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.814 0.285 19879 2857 1 11 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.821 -0.980 19879 2858 1 11 . 1 1 5 5 GLN H H 5 7.708 7.708 8.341 -0.633 19879 2859 1 11 . 1 1 6 6 ARG N N 6 119.108 119.108 118.177 0.931 19879 2860 1 11 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.230 -0.140 19879 2861 1 11 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.661 0.298 19879 2862 1 11 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.184 -1.005 19879 2863 1 11 . 1 1 6 6 ARG H H 6 8.391 8.391 8.268 0.123 19879 2864 1 11 . 1 1 7 7 GLU N N 7 116.726 116.726 116.844 -0.118 19879 2865 1 11 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.256 -0.161 19879 2866 1 11 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.718 -0.364 19879 2867 1 11 . 1 1 7 7 GLU CB C 7 29.141 29.141 29.958 -0.817 19879 2868 1 11 . 1 1 7 7 GLU H H 7 8.000 8.000 8.064 -0.064 19879 2869 1 11 . 1 1 8 8 PHE N N 8 119.217 119.217 116.455 2.762 19879 2870 1 11 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.533 0.127 19879 2871 1 11 . 1 1 8 8 PHE CA C 8 58.055 58.055 60.353 -2.298 19879 2872 1 11 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.613 0.123 19879 2873 1 11 . 1 1 8 8 PHE H H 8 7.706 7.706 7.614 0.092 19879 2874 1 11 . 1 1 9 9 LEU N N 9 119.532 119.532 121.895 -2.363 19879 2875 1 11 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.166 -0.174 19879 2876 1 11 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.483 -1.857 19879 2877 1 11 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.038 -0.744 19879 2878 1 11 . 1 1 9 9 LEU H H 9 7.840 7.840 8.212 -0.372 19879 2879 1 11 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.255 -0.150 19879 2880 1 11 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.348 0.334 19879 2881 1 11 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.074 -0.585 19879 2882 1 11 . 1 1 11 11 GLU N N 11 116.603 116.603 117.492 -0.889 19879 2883 1 11 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.219 -0.240 19879 2884 1 11 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.776 -0.438 19879 2885 1 11 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.963 -1.599 19879 2886 1 11 . 1 1 11 11 GLU H H 11 8.019 8.019 7.739 0.280 19879 2887 1 11 . 1 1 12 12 ILE N N 12 120.060 120.060 117.898 2.162 19879 2888 1 11 . 1 1 12 12 ILE HA H 12 3.322 3.322 3.988 -0.666 19879 2889 1 11 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.697 0.828 19879 2890 1 11 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.622 -0.504 19879 2891 1 11 . 1 1 12 12 ILE H H 12 7.398 7.398 7.438 -0.040 19879 2892 1 11 . 1 1 13 13 LEU N N 13 117.822 117.822 120.706 -2.884 19879 2893 1 11 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.866 -0.165 19879 2894 1 11 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.388 -1.029 19879 2895 1 11 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.353 -0.821 19879 2896 1 11 . 1 1 13 13 LEU H H 13 7.492 7.492 7.837 -0.345 19879 2897 1 11 . 1 1 14 14 ALA N N 14 118.447 118.447 120.158 -1.711 19879 2898 1 11 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.988 -0.037 19879 2899 1 11 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.811 -0.646 19879 2900 1 11 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.216 -0.980 19879 2901 1 11 . 1 1 14 14 ALA H H 14 8.038 8.038 7.993 0.045 19879 2902 1 11 . 1 1 15 15 GLU N N 15 117.320 117.320 116.952 0.368 19879 2903 1 11 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.142 -0.050 19879 2904 1 11 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.060 -0.569 19879 2905 1 11 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.715 -1.268 19879 2906 1 11 . 1 1 15 15 GLU H H 15 7.085 7.085 7.771 -0.686 19879 2907 1 11 . 1 1 16 16 ILE N N 16 116.223 116.223 118.270 -2.047 19879 2908 1 11 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.068 -0.460 19879 2909 1 11 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.931 1.089 19879 2910 1 11 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.030 -1.308 19879 2911 1 11 . 1 1 16 16 ILE H H 16 7.331 7.331 7.416 -0.085 19879 2912 1 11 . 1 1 17 17 ILE N N 17 116.602 116.602 120.229 -3.627 19879 2913 1 11 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.734 -0.086 19879 2914 1 11 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.842 -1.563 19879 2915 1 11 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.868 -0.409 19879 2916 1 11 . 1 1 17 17 ILE H H 17 8.214 8.214 7.504 0.710 19879 2917 1 11 . 1 1 18 18 ALA N N 18 119.329 119.329 120.051 -0.722 19879 2918 1 11 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.327 -0.147 19879 2919 1 11 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.306 0.430 19879 2920 1 11 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.180 -0.606 19879 2921 1 11 . 1 1 18 18 ALA H H 18 8.056 8.056 7.914 0.142 19879 2922 1 11 . 1 1 19 19 ASN N N 19 110.910 110.910 115.755 -4.845 19879 2923 1 11 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.855 0.167 19879 2924 1 11 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.873 0.717 19879 2925 1 11 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.114 0.980 19879 2926 1 11 . 1 1 19 19 ASN H H 19 7.295 7.295 7.714 -0.419 19879 2927 1 11 . 1 1 20 20 LEU N N 20 119.881 119.881 120.972 -1.091 19879 2928 1 11 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.704 0.019 19879 2929 1 11 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.696 -1.208 19879 2930 1 11 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.954 -1.145 19879 2931 1 11 . 1 1 20 20 LEU H H 20 8.134 8.134 7.331 0.803 19879 2932 1 11 . 1 1 21 21 ASP N N 21 119.289 119.289 123.995 -4.706 19879 2933 1 11 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.065 0.050 19879 2934 1 11 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.974 -2.401 19879 2935 1 11 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.248 -0.996 19879 2936 1 11 . 1 1 21 21 ASP H H 21 8.081 8.081 8.546 -0.465 19879 2937 1 11 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.244 -0.308 19879 2938 1 11 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.977 -0.626 19879 2939 1 11 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.814 -0.287 19879 2940 1 11 . 1 1 23 23 THR N N 23 109.956 109.956 109.682 0.274 19879 2941 1 11 . 1 1 23 23 THR HA H 23 3.770 3.770 4.113 -0.343 19879 2942 1 11 . 1 1 23 23 THR CA C 23 65.649 65.649 65.231 0.418 19879 2943 1 11 . 1 1 23 23 THR CB C 23 67.525 67.525 68.561 -1.036 19879 2944 1 11 . 1 1 23 23 THR H H 23 8.130 8.130 8.116 0.014 19879 2945 1 11 . 1 1 24 24 LYS N N 24 121.423 121.423 122.257 -0.834 19879 2946 1 11 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.219 -0.055 19879 2947 1 11 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.856 -1.073 19879 2948 1 11 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.691 -1.262 19879 2949 1 11 . 1 1 24 24 LYS H H 24 7.410 7.410 7.798 -0.388 19879 2950 1 11 . 1 1 25 25 ILE N N 25 118.727 118.727 116.328 2.399 19879 2951 1 11 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.761 -0.313 19879 2952 1 11 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.790 0.149 19879 2953 1 11 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.858 -0.710 19879 2954 1 11 . 1 1 25 25 ILE H H 25 7.255 7.255 7.408 -0.153 19879 2955 1 11 . 1 1 26 26 LEU N N 26 117.967 117.967 121.837 -3.870 19879 2956 1 11 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.886 -0.153 19879 2957 1 11 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.692 -1.108 19879 2958 1 11 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.781 -0.911 19879 2959 1 11 . 1 1 26 26 LEU H H 26 7.893 7.893 7.643 0.250 19879 2960 1 11 . 1 1 27 27 GLU N N 27 117.202 117.202 118.495 -1.293 19879 2961 1 11 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.976 -0.180 19879 2962 1 11 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.908 -0.926 19879 2963 1 11 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.209 -0.435 19879 2964 1 11 . 1 1 27 27 GLU H H 27 7.851 7.851 7.683 0.168 19879 2965 1 11 . 1 1 28 28 GLU N N 28 119.243 119.243 118.236 1.007 19879 2966 1 11 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.171 -0.044 19879 2967 1 11 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.585 -1.368 19879 2968 1 11 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.210 -1.011 19879 2969 1 11 . 1 1 28 28 GLU H H 28 7.597 7.597 7.851 -0.254 19879 2970 1 11 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.109 -0.234 19879 2971 1 11 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.638 -0.196 19879 2972 1 11 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.084 -1.273 19879 2973 1 11 . 1 1 30 30 LEU N N 30 121.505 121.505 118.724 2.781 19879 2974 1 11 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.034 0.081 19879 2975 1 11 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.333 0.526 19879 2976 1 11 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.655 -0.389 19879 2977 1 11 . 1 1 30 30 LEU H H 30 8.508 8.508 7.728 0.780 19879 2978 1 11 . 1 1 31 31 ARG N N 31 120.484 120.484 117.986 2.498 19879 2979 1 11 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.098 -0.049 19879 2980 1 11 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.560 -0.091 19879 2981 1 11 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.112 -0.739 19879 2982 1 11 . 1 1 31 31 ARG H H 31 8.274 8.274 7.553 0.721 19879 2983 1 11 . 1 1 32 32 ARG N N 32 114.502 114.502 118.101 -3.599 19879 2984 1 11 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.389 0.064 19879 2985 1 11 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.201 -2.539 19879 2986 1 11 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.559 -1.058 19879 2987 1 11 . 1 1 32 32 ARG H H 32 7.291 7.291 7.801 -0.510 19879 2988 1 11 . 1 1 33 33 GLY N N 33 108.310 108.310 107.575 0.735 19879 2989 1 11 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.344 0.247 19879 2990 1 11 . 1 1 33 33 GLY H H 33 8.134 8.134 7.565 0.569 19879 2991 1 11 . 1 1 34 34 LEU N N 34 117.715 117.715 119.493 -1.778 19879 2992 1 11 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.524 -0.119 19879 2993 1 11 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.014 -1.687 19879 2994 1 11 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.968 -1.438 19879 2995 1 11 . 1 1 34 34 LEU H H 34 8.121 8.121 7.760 0.361 19879 2996 1 11 . 1 1 35 35 LEU N N 35 119.920 119.920 119.181 0.739 19879 2997 1 11 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.575 -0.010 19879 2998 1 11 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.792 -0.969 19879 2999 1 11 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.359 2.367 19879 3000 1 11 . 1 1 35 35 LEU H H 35 7.219 7.219 7.518 -0.299 19879 3001 1 11 . 1 1 36 36 THR N N 36 115.405 115.405 114.741 0.664 19879 3002 1 11 . 1 1 36 36 THR HA H 36 4.743 4.743 4.859 -0.116 19879 3003 1 11 . 1 1 36 36 THR CA C 36 59.034 59.034 57.923 1.111 19879 3004 1 11 . 1 1 36 36 THR CB C 36 68.143 68.143 69.357 -1.214 19879 3005 1 11 . 1 1 36 36 THR H H 36 8.948 8.948 8.208 0.740 19879 3006 1 11 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.321 -0.234 19879 3007 1 11 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.056 0.051 19879 3008 1 11 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.529 -0.692 19879 3009 1 11 . 1 1 38 38 ALA N N 38 119.090 119.090 120.886 -1.796 19879 3010 1 11 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.183 -0.083 19879 3011 1 11 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.886 -0.599 19879 3012 1 11 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.414 -0.725 19879 3013 1 11 . 1 1 38 38 ALA H H 38 7.975 7.975 8.287 -0.312 19879 3014 1 11 . 1 1 39 39 GLU N N 39 120.475 120.475 119.065 1.410 19879 3015 1 11 . 1 1 39 39 GLU HA H 39 3.785 3.785 3.984 -0.199 19879 3016 1 11 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.611 -0.327 19879 3017 1 11 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.296 -0.040 19879 3018 1 11 . 1 1 39 39 GLU H H 39 7.592 7.592 7.544 0.048 19879 3019 1 11 . 1 1 40 40 LEU N N 40 118.126 118.126 121.050 -2.924 19879 3020 1 11 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.933 -0.106 19879 3021 1 11 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.169 -0.150 19879 3022 1 11 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.162 -1.218 19879 3023 1 11 . 1 1 40 40 LEU H H 40 7.878 7.878 8.002 -0.124 19879 3024 1 11 . 1 1 41 41 GLN N N 41 116.956 116.956 117.860 -0.904 19879 3025 1 11 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.934 -0.223 19879 3026 1 11 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.672 -1.112 19879 3027 1 11 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.291 -0.757 19879 3028 1 11 . 1 1 41 41 GLN H H 41 7.957 7.957 8.080 -0.123 19879 3029 1 11 . 1 1 42 42 GLU N N 42 117.014 117.014 118.917 -1.903 19879 3030 1 11 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.141 -0.106 19879 3031 1 11 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.053 -0.188 19879 3032 1 11 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.969 -0.870 19879 3033 1 11 . 1 1 42 42 GLU H H 42 7.676 7.676 7.669 0.007 19879 3034 1 11 . 1 1 43 43 VAL N N 43 116.546 116.546 119.610 -3.064 19879 3035 1 11 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.945 -0.277 19879 3036 1 11 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.439 1.155 19879 3037 1 11 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.662 -1.043 19879 3038 1 11 . 1 1 43 43 VAL H H 43 7.566 7.566 7.529 0.037 19879 3039 1 11 . 1 1 44 44 LEU N N 44 118.168 118.168 117.708 0.460 19879 3040 1 11 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.310 -0.365 19879 3041 1 11 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.378 -0.014 19879 3042 1 11 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.158 -1.610 19879 3043 1 11 . 1 1 44 44 LEU H H 44 8.199 8.199 8.264 -0.065 19879 3044 1 11 . 1 1 45 45 ASP N N 45 116.834 116.834 119.506 -2.672 19879 3045 1 11 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.546 -0.068 19879 3046 1 11 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.491 -1.757 19879 3047 1 11 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.752 -1.196 19879 3048 1 11 . 1 1 45 45 ASP H H 45 7.776 7.776 7.467 0.309 19879 3049 1 11 . 1 1 46 46 LEU N N 46 121.360 121.360 117.352 4.008 19879 3050 1 11 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.424 0.018 19879 3051 1 11 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.929 -0.870 19879 3052 1 11 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.686 -1.539 19879 3053 1 11 . 1 1 46 46 LEU H H 46 7.548 7.548 7.415 0.133 19879 3054 1 11 . 1 1 47 47 LYS N N 47 116.693 116.693 119.708 -3.015 19879 3055 1 11 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.432 -0.255 19879 3056 1 11 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.995 1.464 19879 3057 1 11 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.636 0.149 19879 3058 1 11 . 1 1 47 47 LYS H H 47 8.586 8.586 8.460 0.126 19879 3059 1 11 . 1 1 48 48 THR N N 48 107.567 107.567 114.005 -6.438 19879 3060 1 11 . 1 1 48 48 THR HA H 48 5.013 5.013 4.631 0.382 19879 3061 1 11 . 1 1 48 48 THR CA C 48 57.421 57.421 58.225 -0.804 19879 3062 1 11 . 1 1 48 48 THR CB C 48 69.457 69.457 69.836 -0.379 19879 3063 1 11 . 1 1 48 48 THR H H 48 7.459 7.459 7.637 -0.178 19879 3064 1 11 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.225 0.111 19879 3065 1 11 . 1 1 49 49 PRO CA C 49 64.167 64.167 64.794 -0.627 19879 3066 1 11 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.937 -0.689 19879 3067 1 11 . 1 1 50 50 GLU N N 50 117.217 117.217 118.517 -1.300 19879 3068 1 11 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.966 -0.148 19879 3069 1 11 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.781 0.325 19879 3070 1 11 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.827 -0.723 19879 3071 1 11 . 1 1 50 50 GLU H H 50 9.036 9.036 8.816 0.220 19879 3072 1 11 . 1 1 51 51 GLU N N 51 117.482 117.482 119.155 -1.673 19879 3073 1 11 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.125 -0.214 19879 3074 1 11 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.903 -0.296 19879 3075 1 11 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.154 1.450 19879 3076 1 11 . 1 1 51 51 GLU H H 51 7.561 7.561 8.490 -0.929 19879 3077 1 11 . 1 1 52 52 GLN N N 52 118.967 118.967 119.296 -0.329 19879 3078 1 11 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.958 -0.169 19879 3079 1 11 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.264 -0.293 19879 3080 1 11 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.591 -1.069 19879 3081 1 11 . 1 1 52 52 GLN H H 52 8.125 8.125 7.747 0.378 19879 3082 1 11 . 1 1 53 53 ALA N N 53 119.946 119.946 121.554 -1.608 19879 3083 1 11 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.960 -0.213 19879 3084 1 11 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.191 -0.432 19879 3085 1 11 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.341 0.013 19879 3086 1 11 . 1 1 53 53 ALA H H 53 8.698 8.698 7.645 1.053 19879 3087 1 11 . 1 1 54 54 LYS N N 54 115.558 115.558 117.574 -2.016 19879 3088 1 11 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.922 -0.230 19879 3089 1 11 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.256 -0.120 19879 3090 1 11 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.120 -0.327 19879 3091 1 11 . 1 1 54 54 LYS H H 54 7.647 7.647 7.658 -0.011 19879 3092 1 11 . 1 1 55 55 LYS N N 55 119.514 119.514 119.617 -0.103 19879 3093 1 11 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.794 0.058 19879 3094 1 11 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.722 -2.353 19879 3095 1 11 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.216 -2.115 19879 3096 1 11 . 1 1 55 55 LYS H H 55 7.593 7.593 7.777 -0.184 19879 3097 1 11 . 1 1 56 56 LEU N N 56 118.162 118.162 121.207 -3.045 19879 3098 1 11 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.171 -0.336 19879 3099 1 11 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.362 -0.481 19879 3100 1 11 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.165 -1.103 19879 3101 1 11 . 1 1 56 56 LEU H H 56 8.035 8.035 7.516 0.519 19879 3102 1 11 . 1 1 57 57 ILE N N 57 116.360 116.360 117.608 -1.248 19879 3103 1 11 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.581 -0.049 19879 3104 1 11 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.250 -2.643 19879 3105 1 11 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.435 -2.243 19879 3106 1 11 . 1 1 57 57 ILE H H 57 7.769 7.769 7.746 0.023 19879 3107 1 11 . 1 1 58 58 ASP N N 58 121.683 121.683 120.401 1.282 19879 3108 1 11 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.379 -0.143 19879 3109 1 11 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.030 0.050 19879 3110 1 11 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.715 -0.718 19879 3111 1 11 . 1 1 58 58 ASP H H 58 7.859 7.859 7.578 0.281 19879 3112 1 11 . 1 1 59 59 PHE N N 59 115.587 115.587 116.103 -0.516 19879 3113 1 11 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.408 0.042 19879 3114 1 11 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.719 -2.366 19879 3115 1 11 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.548 -2.798 19879 3116 1 11 . 1 1 59 59 PHE H H 59 7.968 7.968 7.584 0.384 19879 3117 1 11 . 1 1 60 60 ILE N N 60 117.997 117.997 113.659 4.338 19879 3118 1 11 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.175 -0.391 19879 3119 1 11 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.453 1.372 19879 3120 1 11 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.140 -0.203 19879 3121 1 11 . 1 1 60 60 ILE H H 60 7.787 7.787 7.589 0.198 19879 3122 1 11 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.253 -0.120 19879 3123 1 11 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.053 -0.592 19879 3124 1 11 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.131 -2.142 19879 3125 1 12 . 1 1 2 2 THR N N 2 116.344 116.344 114.706 1.638 19879 3126 1 12 . 1 1 2 2 THR HA H 2 4.607 4.607 4.935 -0.328 19879 3127 1 12 . 1 1 2 2 THR CA C 2 59.469 59.469 58.754 0.716 19879 3128 1 12 . 1 1 2 2 THR CB C 2 67.629 67.629 70.420 -2.791 19879 3129 1 12 . 1 1 2 2 THR H H 2 8.950 8.950 8.040 0.910 19879 3130 1 12 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.307 -0.132 19879 3131 1 12 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.185 -0.002 19879 3132 1 12 . 1 1 3 3 PRO CB C 3 30.966 30.966 31.780 -0.814 19879 3133 1 12 . 1 1 4 4 GLU N N 4 116.437 116.437 115.252 1.185 19879 3134 1 12 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.237 -0.221 19879 3135 1 12 . 1 1 4 4 GLU CA C 4 59.826 59.826 58.925 0.901 19879 3136 1 12 . 1 1 4 4 GLU CB C 4 28.264 28.264 28.702 -0.438 19879 3137 1 12 . 1 1 4 4 GLU H H 4 8.943 8.943 8.789 0.154 19879 3138 1 12 . 1 1 5 5 GLN N N 5 120.183 120.183 119.549 0.634 19879 3139 1 12 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.264 -0.520 19879 3140 1 12 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.462 0.637 19879 3141 1 12 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.959 -1.117 19879 3142 1 12 . 1 1 5 5 GLN H H 5 7.708 7.708 7.709 -0.001 19879 3143 1 12 . 1 1 6 6 ARG N N 6 119.108 119.108 117.841 1.267 19879 3144 1 12 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.159 -0.069 19879 3145 1 12 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.266 0.694 19879 3146 1 12 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.157 -0.978 19879 3147 1 12 . 1 1 6 6 ARG H H 6 8.391 8.391 7.842 0.549 19879 3148 1 12 . 1 1 7 7 GLU N N 7 116.726 116.726 118.507 -1.781 19879 3149 1 12 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.137 -0.042 19879 3150 1 12 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.328 -0.974 19879 3151 1 12 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.318 -1.177 19879 3152 1 12 . 1 1 7 7 GLU H H 7 8.000 8.000 7.606 0.394 19879 3153 1 12 . 1 1 8 8 PHE N N 8 119.217 119.217 117.038 2.179 19879 3154 1 12 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.519 0.141 19879 3155 1 12 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.678 -1.623 19879 3156 1 12 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.607 1.129 19879 3157 1 12 . 1 1 8 8 PHE H H 8 7.706 7.706 7.655 0.051 19879 3158 1 12 . 1 1 9 9 LEU N N 9 119.532 119.532 122.226 -2.694 19879 3159 1 12 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.169 -0.177 19879 3160 1 12 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.941 -1.315 19879 3161 1 12 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.044 -0.750 19879 3162 1 12 . 1 1 9 9 LEU H H 9 7.840 7.840 7.540 0.300 19879 3163 1 12 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.254 -0.149 19879 3164 1 12 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.272 0.410 19879 3165 1 12 . 1 1 10 10 PRO CB C 10 30.489 30.489 30.926 -0.437 19879 3166 1 12 . 1 1 11 11 GLU N N 11 116.603 116.603 116.657 -0.054 19879 3167 1 12 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.244 -0.265 19879 3168 1 12 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.873 -0.535 19879 3169 1 12 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.631 -1.267 19879 3170 1 12 . 1 1 11 11 GLU H H 11 8.019 8.019 8.536 -0.517 19879 3171 1 12 . 1 1 12 12 ILE N N 12 120.060 120.060 117.151 2.909 19879 3172 1 12 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.029 -0.708 19879 3173 1 12 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.288 1.237 19879 3174 1 12 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.593 -0.475 19879 3175 1 12 . 1 1 12 12 ILE H H 12 7.398 7.398 7.246 0.152 19879 3176 1 12 . 1 1 13 13 LEU N N 13 117.822 117.822 120.659 -2.837 19879 3177 1 12 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.893 -0.192 19879 3178 1 12 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.719 -0.360 19879 3179 1 12 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.188 -0.656 19879 3180 1 12 . 1 1 13 13 LEU H H 13 7.492 7.492 7.906 -0.414 19879 3181 1 12 . 1 1 14 14 ALA N N 14 118.447 118.447 120.331 -1.884 19879 3182 1 12 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.939 0.012 19879 3183 1 12 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.115 -0.951 19879 3184 1 12 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.175 -0.939 19879 3185 1 12 . 1 1 14 14 ALA H H 14 8.038 8.038 7.985 0.053 19879 3186 1 12 . 1 1 15 15 GLU N N 15 117.320 117.320 117.201 0.119 19879 3187 1 12 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.136 -0.044 19879 3188 1 12 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.284 -0.792 19879 3189 1 12 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.574 -1.127 19879 3190 1 12 . 1 1 15 15 GLU H H 15 7.085 7.085 8.089 -1.004 19879 3191 1 12 . 1 1 16 16 ILE N N 16 116.223 116.223 120.035 -3.812 19879 3192 1 12 . 1 1 16 16 ILE HA H 16 3.608 3.608 3.952 -0.344 19879 3193 1 12 . 1 1 16 16 ILE CA C 16 64.020 64.020 63.244 0.776 19879 3194 1 12 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.461 -0.739 19879 3195 1 12 . 1 1 16 16 ILE H H 16 7.331 7.331 7.136 0.195 19879 3196 1 12 . 1 1 17 17 ILE N N 17 116.602 116.602 119.318 -2.716 19879 3197 1 12 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.773 -0.125 19879 3198 1 12 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.297 -1.018 19879 3199 1 12 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.786 -0.327 19879 3200 1 12 . 1 1 17 17 ILE H H 17 8.214 8.214 7.466 0.748 19879 3201 1 12 . 1 1 18 18 ALA N N 18 119.329 119.329 120.056 -0.727 19879 3202 1 12 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.243 -0.063 19879 3203 1 12 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.519 0.217 19879 3204 1 12 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.432 -0.858 19879 3205 1 12 . 1 1 18 18 ALA H H 18 8.056 8.056 7.748 0.308 19879 3206 1 12 . 1 1 19 19 ASN N N 19 110.910 110.910 114.855 -3.945 19879 3207 1 12 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.813 0.209 19879 3208 1 12 . 1 1 19 19 ASN CA C 19 53.590 53.590 53.913 -0.322 19879 3209 1 12 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.734 0.360 19879 3210 1 12 . 1 1 19 19 ASN H H 19 7.295 7.295 8.054 -0.759 19879 3211 1 12 . 1 1 20 20 LEU N N 20 119.881 119.881 122.401 -2.520 19879 3212 1 12 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.005 0.718 19879 3213 1 12 . 1 1 20 20 LEU CA C 20 53.487 53.487 55.100 -1.613 19879 3214 1 12 . 1 1 20 20 LEU CB C 20 43.809 43.809 43.142 0.667 19879 3215 1 12 . 1 1 20 20 LEU H H 20 8.134 8.134 7.615 0.519 19879 3216 1 12 . 1 1 21 21 ASP N N 21 119.289 119.289 124.028 -4.739 19879 3217 1 12 . 1 1 21 21 ASP HA H 21 5.115 5.115 4.971 0.144 19879 3218 1 12 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.827 -2.254 19879 3219 1 12 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.356 -1.104 19879 3220 1 12 . 1 1 21 21 ASP H H 21 8.081 8.081 8.077 0.004 19879 3221 1 12 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.231 -0.295 19879 3222 1 12 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.922 -0.571 19879 3223 1 12 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.918 -0.390 19879 3224 1 12 . 1 1 23 23 THR N N 23 109.956 109.956 110.419 -0.463 19879 3225 1 12 . 1 1 23 23 THR HA H 23 3.770 3.770 4.149 -0.379 19879 3226 1 12 . 1 1 23 23 THR CA C 23 65.649 65.649 65.753 -0.104 19879 3227 1 12 . 1 1 23 23 THR CB C 23 67.525 67.525 68.206 -0.681 19879 3228 1 12 . 1 1 23 23 THR H H 23 8.130 8.130 8.265 -0.135 19879 3229 1 12 . 1 1 24 24 LYS N N 24 121.423 121.423 121.677 -0.254 19879 3230 1 12 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.260 -0.096 19879 3231 1 12 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.717 -0.934 19879 3232 1 12 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.657 -1.228 19879 3233 1 12 . 1 1 24 24 LYS H H 24 7.410 7.410 7.660 -0.250 19879 3234 1 12 . 1 1 25 25 ILE N N 25 118.727 118.727 115.243 3.484 19879 3235 1 12 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.928 -0.480 19879 3236 1 12 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.411 0.528 19879 3237 1 12 . 1 1 25 25 ILE CB C 25 37.148 37.148 38.104 -0.956 19879 3238 1 12 . 1 1 25 25 ILE H H 25 7.255 7.255 7.443 -0.188 19879 3239 1 12 . 1 1 26 26 LEU N N 26 117.967 117.967 121.925 -3.958 19879 3240 1 12 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.922 -0.189 19879 3241 1 12 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.658 -1.074 19879 3242 1 12 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.799 -0.929 19879 3243 1 12 . 1 1 26 26 LEU H H 26 7.893 7.893 7.640 0.253 19879 3244 1 12 . 1 1 27 27 GLU N N 27 117.202 117.202 116.875 0.327 19879 3245 1 12 . 1 1 27 27 GLU HA H 27 3.796 3.796 4.062 -0.266 19879 3246 1 12 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.202 -0.220 19879 3247 1 12 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.092 -0.318 19879 3248 1 12 . 1 1 27 27 GLU H H 27 7.851 7.851 8.080 -0.229 19879 3249 1 12 . 1 1 28 28 GLU N N 28 119.243 119.243 119.501 -0.258 19879 3250 1 12 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.187 -0.060 19879 3251 1 12 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.628 -1.411 19879 3252 1 12 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.644 -1.445 19879 3253 1 12 . 1 1 28 28 GLU H H 28 7.597 7.597 7.708 -0.111 19879 3254 1 12 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.163 -0.288 19879 3255 1 12 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.541 -0.099 19879 3256 1 12 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.125 -1.314 19879 3257 1 12 . 1 1 30 30 LEU N N 30 121.505 121.505 119.475 2.030 19879 3258 1 12 . 1 1 30 30 LEU HA H 30 4.115 4.115 3.961 0.154 19879 3259 1 12 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.553 0.306 19879 3260 1 12 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.745 -0.479 19879 3261 1 12 . 1 1 30 30 LEU H H 30 8.508 8.508 7.732 0.776 19879 3262 1 12 . 1 1 31 31 ARG N N 31 120.484 120.484 117.392 3.092 19879 3263 1 12 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.137 -0.088 19879 3264 1 12 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.068 0.401 19879 3265 1 12 . 1 1 31 31 ARG CB C 31 29.373 29.373 29.923 -0.550 19879 3266 1 12 . 1 1 31 31 ARG H H 31 8.274 8.274 7.549 0.725 19879 3267 1 12 . 1 1 32 32 ARG N N 32 114.502 114.502 117.663 -3.161 19879 3268 1 12 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.385 0.068 19879 3269 1 12 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.074 -2.412 19879 3270 1 12 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.500 -0.999 19879 3271 1 12 . 1 1 32 32 ARG H H 32 7.291 7.291 7.462 -0.171 19879 3272 1 12 . 1 1 33 33 GLY N N 33 108.310 108.310 107.542 0.768 19879 3273 1 12 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.225 0.366 19879 3274 1 12 . 1 1 33 33 GLY H H 33 8.134 8.134 7.503 0.631 19879 3275 1 12 . 1 1 34 34 LEU N N 34 117.715 117.715 119.099 -1.384 19879 3276 1 12 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.452 -0.047 19879 3277 1 12 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.118 -1.790 19879 3278 1 12 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.997 -1.467 19879 3279 1 12 . 1 1 34 34 LEU H H 34 8.121 8.121 7.701 0.420 19879 3280 1 12 . 1 1 35 35 LEU N N 35 119.920 119.920 119.505 0.415 19879 3281 1 12 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.515 0.050 19879 3282 1 12 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.876 -1.053 19879 3283 1 12 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.151 2.575 19879 3284 1 12 . 1 1 35 35 LEU H H 35 7.219 7.219 7.716 -0.497 19879 3285 1 12 . 1 1 36 36 THR N N 36 115.405 115.405 115.224 0.181 19879 3286 1 12 . 1 1 36 36 THR HA H 36 4.743 4.743 4.791 -0.048 19879 3287 1 12 . 1 1 36 36 THR CA C 36 59.034 59.034 58.255 0.779 19879 3288 1 12 . 1 1 36 36 THR CB C 36 68.143 68.143 69.223 -1.080 19879 3289 1 12 . 1 1 36 36 THR H H 36 8.948 8.948 8.166 0.782 19879 3290 1 12 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.278 -0.191 19879 3291 1 12 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.296 -0.189 19879 3292 1 12 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.585 -0.749 19879 3293 1 12 . 1 1 38 38 ALA N N 38 119.090 119.090 120.594 -1.504 19879 3294 1 12 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.170 -0.070 19879 3295 1 12 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.883 -0.596 19879 3296 1 12 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.392 -0.703 19879 3297 1 12 . 1 1 38 38 ALA H H 38 7.975 7.975 8.275 -0.300 19879 3298 1 12 . 1 1 39 39 GLU N N 39 120.475 120.475 118.864 1.611 19879 3299 1 12 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.012 -0.227 19879 3300 1 12 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.281 0.003 19879 3301 1 12 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.265 -0.008 19879 3302 1 12 . 1 1 39 39 GLU H H 39 7.592 7.592 7.558 0.034 19879 3303 1 12 . 1 1 40 40 LEU N N 40 118.126 118.126 121.357 -3.231 19879 3304 1 12 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.839 -0.012 19879 3305 1 12 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.200 -0.181 19879 3306 1 12 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.102 -1.158 19879 3307 1 12 . 1 1 40 40 LEU H H 40 7.878 7.878 8.271 -0.393 19879 3308 1 12 . 1 1 41 41 GLN N N 41 116.956 116.956 117.384 -0.428 19879 3309 1 12 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.922 -0.211 19879 3310 1 12 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.812 -1.252 19879 3311 1 12 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.326 -0.792 19879 3312 1 12 . 1 1 41 41 GLN H H 41 7.957 7.957 7.886 0.071 19879 3313 1 12 . 1 1 42 42 GLU N N 42 117.014 117.014 118.772 -1.758 19879 3314 1 12 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.150 -0.115 19879 3315 1 12 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.143 -0.278 19879 3316 1 12 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.602 -0.503 19879 3317 1 12 . 1 1 42 42 GLU H H 42 7.676 7.676 7.499 0.177 19879 3318 1 12 . 1 1 43 43 VAL N N 43 116.546 116.546 119.509 -2.963 19879 3319 1 12 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.964 -0.296 19879 3320 1 12 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.340 1.254 19879 3321 1 12 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.650 -1.031 19879 3322 1 12 . 1 1 43 43 VAL H H 43 7.566 7.566 7.544 0.022 19879 3323 1 12 . 1 1 44 44 LEU N N 44 118.168 118.168 117.957 0.211 19879 3324 1 12 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.300 -0.355 19879 3325 1 12 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.404 -0.040 19879 3326 1 12 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.172 -1.624 19879 3327 1 12 . 1 1 44 44 LEU H H 44 8.199 8.199 8.205 -0.006 19879 3328 1 12 . 1 1 45 45 ASP N N 45 116.834 116.834 119.391 -2.557 19879 3329 1 12 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.547 -0.069 19879 3330 1 12 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.483 -1.749 19879 3331 1 12 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.734 -1.178 19879 3332 1 12 . 1 1 45 45 ASP H H 45 7.776 7.776 7.460 0.316 19879 3333 1 12 . 1 1 46 46 LEU N N 46 121.360 121.360 117.221 4.139 19879 3334 1 12 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.360 0.082 19879 3335 1 12 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.173 -1.114 19879 3336 1 12 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.589 -1.442 19879 3337 1 12 . 1 1 46 46 LEU H H 46 7.548 7.548 7.411 0.137 19879 3338 1 12 . 1 1 47 47 LYS N N 47 116.693 116.693 119.969 -3.276 19879 3339 1 12 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.452 -0.275 19879 3340 1 12 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.984 1.475 19879 3341 1 12 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.464 0.321 19879 3342 1 12 . 1 1 47 47 LYS H H 47 8.586 8.586 8.534 0.052 19879 3343 1 12 . 1 1 48 48 THR N N 48 107.567 107.567 113.567 -6.000 19879 3344 1 12 . 1 1 48 48 THR HA H 48 5.013 5.013 4.768 0.245 19879 3345 1 12 . 1 1 48 48 THR CA C 48 57.421 57.421 58.403 -0.982 19879 3346 1 12 . 1 1 48 48 THR CB C 48 69.457 69.457 69.073 0.384 19879 3347 1 12 . 1 1 48 48 THR H H 48 7.459 7.459 7.553 -0.094 19879 3348 1 12 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.176 0.160 19879 3349 1 12 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.351 -1.184 19879 3350 1 12 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.785 -0.537 19879 3351 1 12 . 1 1 50 50 GLU N N 50 117.217 117.217 116.503 0.714 19879 3352 1 12 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.955 -0.137 19879 3353 1 12 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.932 0.174 19879 3354 1 12 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.999 -0.895 19879 3355 1 12 . 1 1 50 50 GLU H H 50 9.036 9.036 8.858 0.178 19879 3356 1 12 . 1 1 51 51 GLU N N 51 117.482 117.482 119.494 -2.012 19879 3357 1 12 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.070 -0.159 19879 3358 1 12 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.027 -0.420 19879 3359 1 12 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.405 1.199 19879 3360 1 12 . 1 1 51 51 GLU H H 51 7.561 7.561 7.792 -0.231 19879 3361 1 12 . 1 1 52 52 GLN N N 52 118.967 118.967 119.305 -0.338 19879 3362 1 12 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.968 -0.179 19879 3363 1 12 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.259 -0.289 19879 3364 1 12 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.590 -1.068 19879 3365 1 12 . 1 1 52 52 GLN H H 52 8.125 8.125 8.004 0.121 19879 3366 1 12 . 1 1 53 53 ALA N N 53 119.946 119.946 121.185 -1.239 19879 3367 1 12 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.941 -0.194 19879 3368 1 12 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.320 -0.561 19879 3369 1 12 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.192 0.162 19879 3370 1 12 . 1 1 53 53 ALA H H 53 8.698 8.698 7.661 1.037 19879 3371 1 12 . 1 1 54 54 LYS N N 54 115.558 115.558 118.016 -2.458 19879 3372 1 12 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.978 -0.286 19879 3373 1 12 . 1 1 54 54 LYS CA C 54 59.136 59.136 58.965 0.171 19879 3374 1 12 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.168 -0.375 19879 3375 1 12 . 1 1 54 54 LYS H H 54 7.647 7.647 7.630 0.017 19879 3376 1 12 . 1 1 55 55 LYS N N 55 119.514 119.514 119.469 0.045 19879 3377 1 12 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.890 -0.038 19879 3378 1 12 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.945 -2.576 19879 3379 1 12 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.178 -2.077 19879 3380 1 12 . 1 1 55 55 LYS H H 55 7.593 7.593 8.120 -0.527 19879 3381 1 12 . 1 1 56 56 LEU N N 56 118.162 118.162 120.932 -2.770 19879 3382 1 12 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.149 -0.314 19879 3383 1 12 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.301 -0.420 19879 3384 1 12 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.240 -1.178 19879 3385 1 12 . 1 1 56 56 LEU H H 56 8.035 8.035 7.541 0.494 19879 3386 1 12 . 1 1 57 57 ILE N N 57 116.360 116.360 118.268 -1.908 19879 3387 1 12 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.581 -0.049 19879 3388 1 12 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.259 -2.652 19879 3389 1 12 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.599 -2.407 19879 3390 1 12 . 1 1 57 57 ILE H H 57 7.769 7.769 7.656 0.113 19879 3391 1 12 . 1 1 58 58 ASP N N 58 121.683 121.683 120.093 1.590 19879 3392 1 12 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.398 -0.162 19879 3393 1 12 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.248 -0.168 19879 3394 1 12 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.531 -0.534 19879 3395 1 12 . 1 1 58 58 ASP H H 58 7.859 7.859 7.797 0.062 19879 3396 1 12 . 1 1 59 59 PHE N N 59 115.587 115.587 117.586 -1.999 19879 3397 1 12 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.439 0.011 19879 3398 1 12 . 1 1 59 59 PHE CA C 59 57.353 57.353 60.130 -2.777 19879 3399 1 12 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.626 -2.876 19879 3400 1 12 . 1 1 59 59 PHE H H 59 7.968 7.968 7.615 0.353 19879 3401 1 12 . 1 1 60 60 ILE N N 60 117.997 117.997 114.828 3.169 19879 3402 1 12 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.208 -0.424 19879 3403 1 12 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.542 1.283 19879 3404 1 12 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.045 -0.108 19879 3405 1 12 . 1 1 60 60 ILE H H 60 7.787 7.787 7.760 0.027 19879 3406 1 12 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.263 -0.130 19879 3407 1 12 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.988 -1.527 19879 3408 1 12 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.322 -2.333 19879 3409 1 13 . 1 1 2 2 THR N N 2 116.344 116.344 116.142 0.202 19879 3410 1 13 . 1 1 2 2 THR HA H 2 4.607 4.607 4.814 -0.207 19879 3411 1 13 . 1 1 2 2 THR CA C 2 59.469 59.469 60.030 -0.561 19879 3412 1 13 . 1 1 2 2 THR CB C 2 67.629 67.629 69.074 -1.445 19879 3413 1 13 . 1 1 2 2 THR H H 2 8.950 8.950 8.403 0.547 19879 3414 1 13 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.331 -0.156 19879 3415 1 13 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.095 0.088 19879 3416 1 13 . 1 1 3 3 PRO CB C 3 30.966 30.966 31.936 -0.970 19879 3417 1 13 . 1 1 4 4 GLU N N 4 116.437 116.437 117.171 -0.734 19879 3418 1 13 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.192 -0.176 19879 3419 1 13 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.481 0.345 19879 3420 1 13 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.122 -0.858 19879 3421 1 13 . 1 1 4 4 GLU H H 4 8.943 8.943 8.754 0.189 19879 3422 1 13 . 1 1 5 5 GLN N N 5 120.183 120.183 117.157 3.026 19879 3423 1 13 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.296 -0.552 19879 3424 1 13 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.783 0.316 19879 3425 1 13 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.061 -1.220 19879 3426 1 13 . 1 1 5 5 GLN H H 5 7.708 7.708 8.295 -0.587 19879 3427 1 13 . 1 1 6 6 ARG N N 6 119.108 119.108 118.411 0.697 19879 3428 1 13 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.241 -0.151 19879 3429 1 13 . 1 1 6 6 ARG CA C 6 58.959 58.959 57.950 1.009 19879 3430 1 13 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.035 -0.856 19879 3431 1 13 . 1 1 6 6 ARG H H 6 8.391 8.391 8.457 -0.066 19879 3432 1 13 . 1 1 7 7 GLU N N 7 116.726 116.726 116.217 0.509 19879 3433 1 13 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.387 -0.292 19879 3434 1 13 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.498 -0.144 19879 3435 1 13 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.163 -1.022 19879 3436 1 13 . 1 1 7 7 GLU H H 7 8.000 8.000 7.890 0.110 19879 3437 1 13 . 1 1 8 8 PHE N N 8 119.217 119.217 117.198 2.019 19879 3438 1 13 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.620 0.040 19879 3439 1 13 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.835 -1.780 19879 3440 1 13 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.988 -0.252 19879 3441 1 13 . 1 1 8 8 PHE H H 8 7.706 7.706 7.563 0.143 19879 3442 1 13 . 1 1 9 9 LEU N N 9 119.532 119.532 121.377 -1.845 19879 3443 1 13 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.242 -0.250 19879 3444 1 13 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.290 -1.664 19879 3445 1 13 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.543 -1.249 19879 3446 1 13 . 1 1 9 9 LEU H H 9 7.840 7.840 8.187 -0.347 19879 3447 1 13 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.375 -0.270 19879 3448 1 13 . 1 1 10 10 PRO CA C 10 65.682 65.682 64.362 1.320 19879 3449 1 13 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.118 -0.629 19879 3450 1 13 . 1 1 11 11 GLU N N 11 116.603 116.603 116.048 0.555 19879 3451 1 13 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.362 -0.383 19879 3452 1 13 . 1 1 11 11 GLU CA C 11 58.338 58.338 57.530 0.808 19879 3453 1 13 . 1 1 11 11 GLU CB C 11 28.364 28.364 30.516 -2.152 19879 3454 1 13 . 1 1 11 11 GLU H H 11 8.019 8.019 8.131 -0.112 19879 3455 1 13 . 1 1 12 12 ILE N N 12 120.060 120.060 117.732 2.328 19879 3456 1 13 . 1 1 12 12 ILE HA H 12 3.322 3.322 3.962 -0.640 19879 3457 1 13 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.892 0.632 19879 3458 1 13 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.686 -0.568 19879 3459 1 13 . 1 1 12 12 ILE H H 12 7.398 7.398 7.336 0.062 19879 3460 1 13 . 1 1 13 13 LEU N N 13 117.822 117.822 118.930 -1.108 19879 3461 1 13 . 1 1 13 13 LEU HA H 13 3.701 3.701 4.060 -0.359 19879 3462 1 13 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.816 -0.457 19879 3463 1 13 . 1 1 13 13 LEU CB C 13 40.532 40.532 40.115 0.416 19879 3464 1 13 . 1 1 13 13 LEU H H 13 7.492 7.492 7.559 -0.067 19879 3465 1 13 . 1 1 14 14 ALA N N 14 118.447 118.447 121.032 -2.585 19879 3466 1 13 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.996 -0.045 19879 3467 1 13 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.050 -0.885 19879 3468 1 13 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.108 -0.872 19879 3469 1 13 . 1 1 14 14 ALA H H 14 8.038 8.038 7.829 0.209 19879 3470 1 13 . 1 1 15 15 GLU N N 15 117.320 117.320 116.978 0.342 19879 3471 1 13 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.178 -0.086 19879 3472 1 13 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.047 -0.555 19879 3473 1 13 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.745 -1.298 19879 3474 1 13 . 1 1 15 15 GLU H H 15 7.085 7.085 7.914 -0.829 19879 3475 1 13 . 1 1 16 16 ILE N N 16 116.223 116.223 118.329 -2.106 19879 3476 1 13 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.031 -0.423 19879 3477 1 13 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.800 1.220 19879 3478 1 13 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.732 -1.010 19879 3479 1 13 . 1 1 16 16 ILE H H 16 7.331 7.331 7.144 0.187 19879 3480 1 13 . 1 1 17 17 ILE N N 17 116.602 116.602 120.330 -3.728 19879 3481 1 13 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.748 -0.100 19879 3482 1 13 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.738 -1.459 19879 3483 1 13 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.701 -0.242 19879 3484 1 13 . 1 1 17 17 ILE H H 17 8.214 8.214 7.554 0.660 19879 3485 1 13 . 1 1 18 18 ALA N N 18 119.329 119.329 120.134 -0.805 19879 3486 1 13 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.324 -0.144 19879 3487 1 13 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.316 0.420 19879 3488 1 13 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.215 -0.641 19879 3489 1 13 . 1 1 18 18 ALA H H 18 8.056 8.056 8.027 0.029 19879 3490 1 13 . 1 1 19 19 ASN N N 19 110.910 110.910 115.500 -4.590 19879 3491 1 13 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.885 0.137 19879 3492 1 13 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.884 0.706 19879 3493 1 13 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.369 0.725 19879 3494 1 13 . 1 1 19 19 ASN H H 19 7.295 7.295 7.735 -0.440 19879 3495 1 13 . 1 1 20 20 LEU N N 20 119.881 119.881 121.070 -1.189 19879 3496 1 13 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.612 0.111 19879 3497 1 13 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.488 -1.001 19879 3498 1 13 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.700 -0.891 19879 3499 1 13 . 1 1 20 20 LEU H H 20 8.134 8.134 7.333 0.801 19879 3500 1 13 . 1 1 21 21 ASP N N 21 119.289 119.289 124.168 -4.879 19879 3501 1 13 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.095 0.020 19879 3502 1 13 . 1 1 21 21 ASP CA C 21 49.573 49.573 52.024 -2.451 19879 3503 1 13 . 1 1 21 21 ASP CB C 21 41.252 41.252 43.108 -1.856 19879 3504 1 13 . 1 1 21 21 ASP H H 21 8.081 8.081 8.467 -0.386 19879 3505 1 13 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.279 -0.343 19879 3506 1 13 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.944 -0.593 19879 3507 1 13 . 1 1 22 22 PRO CB C 22 31.527 31.527 32.058 -0.531 19879 3508 1 13 . 1 1 23 23 THR N N 23 109.956 109.956 111.626 -1.670 19879 3509 1 13 . 1 1 23 23 THR HA H 23 3.770 3.770 4.085 -0.315 19879 3510 1 13 . 1 1 23 23 THR CA C 23 65.649 65.649 65.793 -0.144 19879 3511 1 13 . 1 1 23 23 THR CB C 23 67.525 67.525 68.151 -0.626 19879 3512 1 13 . 1 1 23 23 THR H H 23 8.130 8.130 8.241 -0.111 19879 3513 1 13 . 1 1 24 24 LYS N N 24 121.423 121.423 121.598 -0.175 19879 3514 1 13 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.272 -0.108 19879 3515 1 13 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.686 -0.903 19879 3516 1 13 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.416 -0.987 19879 3517 1 13 . 1 1 24 24 LYS H H 24 7.410 7.410 7.751 -0.341 19879 3518 1 13 . 1 1 25 25 ILE N N 25 118.727 118.727 115.838 2.889 19879 3519 1 13 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.878 -0.430 19879 3520 1 13 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.825 0.114 19879 3521 1 13 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.831 -0.683 19879 3522 1 13 . 1 1 25 25 ILE H H 25 7.255 7.255 7.398 -0.143 19879 3523 1 13 . 1 1 26 26 LEU N N 26 117.967 117.967 121.702 -3.735 19879 3524 1 13 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.931 -0.198 19879 3525 1 13 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.494 -0.910 19879 3526 1 13 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.860 -0.990 19879 3527 1 13 . 1 1 26 26 LEU H H 26 7.893 7.893 7.596 0.297 19879 3528 1 13 . 1 1 27 27 GLU N N 27 117.202 117.202 118.444 -1.242 19879 3529 1 13 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.971 -0.175 19879 3530 1 13 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.683 -0.701 19879 3531 1 13 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.333 -0.559 19879 3532 1 13 . 1 1 27 27 GLU H H 27 7.851 7.851 7.704 0.147 19879 3533 1 13 . 1 1 28 28 GLU N N 28 119.243 119.243 118.222 1.021 19879 3534 1 13 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.145 -0.018 19879 3535 1 13 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.067 -0.850 19879 3536 1 13 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.298 -1.099 19879 3537 1 13 . 1 1 28 28 GLU H H 28 7.597 7.597 7.874 -0.277 19879 3538 1 13 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.099 -0.224 19879 3539 1 13 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.589 -0.147 19879 3540 1 13 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.276 -1.464 19879 3541 1 13 . 1 1 30 30 LEU N N 30 121.505 121.505 118.430 3.075 19879 3542 1 13 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.042 0.073 19879 3543 1 13 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.214 0.645 19879 3544 1 13 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.715 -0.449 19879 3545 1 13 . 1 1 30 30 LEU H H 30 8.508 8.508 7.647 0.861 19879 3546 1 13 . 1 1 31 31 ARG N N 31 120.484 120.484 117.475 3.009 19879 3547 1 13 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.127 -0.078 19879 3548 1 13 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.230 0.239 19879 3549 1 13 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.194 -0.821 19879 3550 1 13 . 1 1 31 31 ARG H H 31 8.274 8.274 7.491 0.783 19879 3551 1 13 . 1 1 32 32 ARG N N 32 114.502 114.502 117.978 -3.476 19879 3552 1 13 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.427 0.026 19879 3553 1 13 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.822 -2.160 19879 3554 1 13 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.418 -0.916 19879 3555 1 13 . 1 1 32 32 ARG H H 32 7.291 7.291 7.407 -0.116 19879 3556 1 13 . 1 1 33 33 GLY N N 33 108.310 108.310 107.774 0.536 19879 3557 1 13 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.379 0.212 19879 3558 1 13 . 1 1 33 33 GLY H H 33 8.134 8.134 7.637 0.497 19879 3559 1 13 . 1 1 34 34 LEU N N 34 117.715 117.715 119.277 -1.562 19879 3560 1 13 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.457 -0.052 19879 3561 1 13 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.091 -1.763 19879 3562 1 13 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.100 -1.570 19879 3563 1 13 . 1 1 34 34 LEU H H 34 8.121 8.121 7.795 0.326 19879 3564 1 13 . 1 1 35 35 LEU N N 35 119.920 119.920 120.067 -0.147 19879 3565 1 13 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.460 0.105 19879 3566 1 13 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.834 -1.011 19879 3567 1 13 . 1 1 35 35 LEU CB C 35 46.726 46.726 43.978 2.748 19879 3568 1 13 . 1 1 35 35 LEU H H 35 7.219 7.219 7.452 -0.233 19879 3569 1 13 . 1 1 36 36 THR N N 36 115.405 115.405 114.987 0.418 19879 3570 1 13 . 1 1 36 36 THR HA H 36 4.743 4.743 4.801 -0.058 19879 3571 1 13 . 1 1 36 36 THR CA C 36 59.034 59.034 58.339 0.695 19879 3572 1 13 . 1 1 36 36 THR CB C 36 68.143 68.143 69.201 -1.058 19879 3573 1 13 . 1 1 36 36 THR H H 36 8.948 8.948 8.194 0.754 19879 3574 1 13 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.372 -0.285 19879 3575 1 13 . 1 1 37 37 PRO CA C 37 65.107 65.107 64.957 0.150 19879 3576 1 13 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.616 -0.779 19879 3577 1 13 . 1 1 38 38 ALA N N 38 119.090 119.090 120.756 -1.666 19879 3578 1 13 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.204 -0.104 19879 3579 1 13 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.852 -0.565 19879 3580 1 13 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.425 -0.736 19879 3581 1 13 . 1 1 38 38 ALA H H 38 7.975 7.975 8.305 -0.330 19879 3582 1 13 . 1 1 39 39 GLU N N 39 120.475 120.475 118.944 1.531 19879 3583 1 13 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.129 -0.344 19879 3584 1 13 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.470 -0.186 19879 3585 1 13 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.460 -0.204 19879 3586 1 13 . 1 1 39 39 GLU H H 39 7.592 7.592 7.606 -0.014 19879 3587 1 13 . 1 1 40 40 LEU N N 40 118.126 118.126 121.363 -3.237 19879 3588 1 13 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.935 -0.108 19879 3589 1 13 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.140 -0.121 19879 3590 1 13 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.117 -1.173 19879 3591 1 13 . 1 1 40 40 LEU H H 40 7.878 7.878 8.044 -0.166 19879 3592 1 13 . 1 1 41 41 GLN N N 41 116.956 116.956 116.389 0.567 19879 3593 1 13 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.967 -0.256 19879 3594 1 13 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.664 -1.104 19879 3595 1 13 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.097 -0.563 19879 3596 1 13 . 1 1 41 41 GLN H H 41 7.957 7.957 8.001 -0.044 19879 3597 1 13 . 1 1 42 42 GLU N N 42 117.014 117.014 120.689 -3.675 19879 3598 1 13 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.180 -0.145 19879 3599 1 13 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.132 -0.267 19879 3600 1 13 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.792 -0.693 19879 3601 1 13 . 1 1 42 42 GLU H H 42 7.676 7.676 7.594 0.082 19879 3602 1 13 . 1 1 43 43 VAL N N 43 116.546 116.546 119.084 -2.538 19879 3603 1 13 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.887 -0.219 19879 3604 1 13 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.952 0.642 19879 3605 1 13 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.003 -1.384 19879 3606 1 13 . 1 1 43 43 VAL H H 43 7.566 7.566 7.547 0.019 19879 3607 1 13 . 1 1 44 44 LEU N N 44 118.168 118.168 118.134 0.034 19879 3608 1 13 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.290 -0.345 19879 3609 1 13 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.564 -0.200 19879 3610 1 13 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.378 -1.830 19879 3611 1 13 . 1 1 44 44 LEU H H 44 8.199 8.199 8.174 0.026 19879 3612 1 13 . 1 1 45 45 ASP N N 45 116.834 116.834 118.440 -1.606 19879 3613 1 13 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.525 -0.047 19879 3614 1 13 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.590 -1.856 19879 3615 1 13 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.737 -1.181 19879 3616 1 13 . 1 1 45 45 ASP H H 45 7.776 7.776 7.566 0.210 19879 3617 1 13 . 1 1 46 46 LEU N N 46 121.360 121.360 117.800 3.560 19879 3618 1 13 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.379 0.063 19879 3619 1 13 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.305 -1.246 19879 3620 1 13 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.410 -1.263 19879 3621 1 13 . 1 1 46 46 LEU H H 46 7.548 7.548 7.413 0.135 19879 3622 1 13 . 1 1 47 47 LYS N N 47 116.693 116.693 120.378 -3.685 19879 3623 1 13 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.423 -0.246 19879 3624 1 13 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.849 1.610 19879 3625 1 13 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.506 0.279 19879 3626 1 13 . 1 1 47 47 LYS H H 47 8.586 8.586 8.491 0.095 19879 3627 1 13 . 1 1 48 48 THR N N 48 107.567 107.567 113.989 -6.422 19879 3628 1 13 . 1 1 48 48 THR HA H 48 5.013 5.013 4.756 0.257 19879 3629 1 13 . 1 1 48 48 THR CA C 48 57.421 57.421 58.479 -1.058 19879 3630 1 13 . 1 1 48 48 THR CB C 48 69.457 69.457 68.935 0.522 19879 3631 1 13 . 1 1 48 48 THR H H 48 7.459 7.459 7.570 -0.111 19879 3632 1 13 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.165 0.171 19879 3633 1 13 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.500 -1.333 19879 3634 1 13 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.802 -0.554 19879 3635 1 13 . 1 1 50 50 GLU N N 50 117.217 117.217 116.551 0.666 19879 3636 1 13 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.960 -0.142 19879 3637 1 13 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.928 0.178 19879 3638 1 13 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.976 -0.872 19879 3639 1 13 . 1 1 50 50 GLU H H 50 9.036 9.036 8.836 0.200 19879 3640 1 13 . 1 1 51 51 GLU N N 51 117.482 117.482 119.536 -2.054 19879 3641 1 13 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.051 -0.140 19879 3642 1 13 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.056 -0.450 19879 3643 1 13 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.372 1.232 19879 3644 1 13 . 1 1 51 51 GLU H H 51 7.561 7.561 7.721 -0.160 19879 3645 1 13 . 1 1 52 52 GLN N N 52 118.967 118.967 119.032 -0.065 19879 3646 1 13 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.977 -0.188 19879 3647 1 13 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.174 -0.204 19879 3648 1 13 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.631 -1.109 19879 3649 1 13 . 1 1 52 52 GLN H H 52 8.125 8.125 8.102 0.023 19879 3650 1 13 . 1 1 53 53 ALA N N 53 119.946 119.946 121.610 -1.664 19879 3651 1 13 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.968 -0.221 19879 3652 1 13 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.149 -0.390 19879 3653 1 13 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.258 0.096 19879 3654 1 13 . 1 1 53 53 ALA H H 53 8.698 8.698 7.706 0.992 19879 3655 1 13 . 1 1 54 54 LYS N N 54 115.558 115.558 118.208 -2.650 19879 3656 1 13 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.896 -0.204 19879 3657 1 13 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.430 -0.294 19879 3658 1 13 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.213 -0.420 19879 3659 1 13 . 1 1 54 54 LYS H H 54 7.647 7.647 7.687 -0.040 19879 3660 1 13 . 1 1 55 55 LYS N N 55 119.514 119.514 119.391 0.123 19879 3661 1 13 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.709 0.143 19879 3662 1 13 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.896 -2.527 19879 3663 1 13 . 1 1 55 55 LYS CB C 55 30.101 30.101 31.970 -1.869 19879 3664 1 13 . 1 1 55 55 LYS H H 55 7.593 7.593 7.817 -0.224 19879 3665 1 13 . 1 1 56 56 LEU N N 56 118.162 118.162 120.990 -2.828 19879 3666 1 13 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.181 -0.346 19879 3667 1 13 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.245 -0.364 19879 3668 1 13 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.199 -1.137 19879 3669 1 13 . 1 1 56 56 LEU H H 56 8.035 8.035 7.396 0.639 19879 3670 1 13 . 1 1 57 57 ILE N N 57 116.360 116.360 118.054 -1.694 19879 3671 1 13 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.545 -0.013 19879 3672 1 13 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.305 -2.698 19879 3673 1 13 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.468 -2.276 19879 3674 1 13 . 1 1 57 57 ILE H H 57 7.769 7.769 8.001 -0.232 19879 3675 1 13 . 1 1 58 58 ASP N N 58 121.683 121.683 119.834 1.849 19879 3676 1 13 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.409 -0.173 19879 3677 1 13 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.664 -0.584 19879 3678 1 13 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.440 -0.443 19879 3679 1 13 . 1 1 58 58 ASP H H 58 7.859 7.859 7.713 0.146 19879 3680 1 13 . 1 1 59 59 PHE N N 59 115.587 115.587 116.810 -1.223 19879 3681 1 13 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.408 0.042 19879 3682 1 13 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.516 -2.163 19879 3683 1 13 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.368 -2.618 19879 3684 1 13 . 1 1 59 59 PHE H H 59 7.968 7.968 7.314 0.654 19879 3685 1 13 . 1 1 60 60 ILE N N 60 117.997 117.997 113.954 4.043 19879 3686 1 13 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.195 -0.411 19879 3687 1 13 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.078 1.747 19879 3688 1 13 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.299 -0.362 19879 3689 1 13 . 1 1 60 60 ILE H H 60 7.787 7.787 7.549 0.238 19879 3690 1 13 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.283 -0.150 19879 3691 1 13 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.539 -0.078 19879 3692 1 13 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.416 -2.427 19879 3693 1 14 . 1 1 2 2 THR N N 2 116.344 116.344 118.702 -2.358 19879 3694 1 14 . 1 1 2 2 THR HA H 2 4.607 4.607 4.859 -0.252 19879 3695 1 14 . 1 1 2 2 THR CA C 2 59.469 59.469 59.695 -0.226 19879 3696 1 14 . 1 1 2 2 THR CB C 2 67.629 67.629 70.209 -2.580 19879 3697 1 14 . 1 1 2 2 THR H H 2 8.950 8.950 7.970 0.980 19879 3698 1 14 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.303 -0.128 19879 3699 1 14 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.830 0.353 19879 3700 1 14 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.141 -1.175 19879 3701 1 14 . 1 1 4 4 GLU N N 4 116.437 116.437 118.166 -1.729 19879 3702 1 14 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.196 -0.180 19879 3703 1 14 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.210 0.616 19879 3704 1 14 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.288 -1.024 19879 3705 1 14 . 1 1 4 4 GLU H H 4 8.943 8.943 8.594 0.349 19879 3706 1 14 . 1 1 5 5 GLN N N 5 120.183 120.183 117.330 2.853 19879 3707 1 14 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.335 -0.591 19879 3708 1 14 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.508 0.591 19879 3709 1 14 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.261 -1.420 19879 3710 1 14 . 1 1 5 5 GLN H H 5 7.708 7.708 7.644 0.064 19879 3711 1 14 . 1 1 6 6 ARG N N 6 119.108 119.108 119.681 -0.573 19879 3712 1 14 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.168 -0.078 19879 3713 1 14 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.542 0.417 19879 3714 1 14 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.284 -1.105 19879 3715 1 14 . 1 1 6 6 ARG H H 6 8.391 8.391 7.953 0.438 19879 3716 1 14 . 1 1 7 7 GLU N N 7 116.726 116.726 116.160 0.566 19879 3717 1 14 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.245 -0.150 19879 3718 1 14 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.861 -0.507 19879 3719 1 14 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.366 -1.224 19879 3720 1 14 . 1 1 7 7 GLU H H 7 8.000 8.000 7.917 0.083 19879 3721 1 14 . 1 1 8 8 PHE N N 8 119.217 119.217 117.127 2.090 19879 3722 1 14 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.603 0.057 19879 3723 1 14 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.944 -1.889 19879 3724 1 14 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.840 -0.104 19879 3725 1 14 . 1 1 8 8 PHE H H 8 7.706 7.706 7.634 0.072 19879 3726 1 14 . 1 1 9 9 LEU N N 9 119.532 119.532 121.803 -2.271 19879 3727 1 14 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.218 -0.226 19879 3728 1 14 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.327 -1.701 19879 3729 1 14 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.121 -0.827 19879 3730 1 14 . 1 1 9 9 LEU H H 9 7.840 7.840 8.319 -0.479 19879 3731 1 14 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.268 -0.163 19879 3732 1 14 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.305 0.378 19879 3733 1 14 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.093 -0.604 19879 3734 1 14 . 1 1 11 11 GLU N N 11 116.603 116.603 116.787 -0.184 19879 3735 1 14 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.212 -0.233 19879 3736 1 14 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.809 -0.471 19879 3737 1 14 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.798 -1.434 19879 3738 1 14 . 1 1 11 11 GLU H H 11 8.019 8.019 8.139 -0.120 19879 3739 1 14 . 1 1 12 12 ILE N N 12 120.060 120.060 117.584 2.476 19879 3740 1 14 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.007 -0.685 19879 3741 1 14 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.304 1.220 19879 3742 1 14 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.593 -0.475 19879 3743 1 14 . 1 1 12 12 ILE H H 12 7.398 7.398 7.304 0.094 19879 3744 1 14 . 1 1 13 13 LEU N N 13 117.822 117.822 120.766 -2.944 19879 3745 1 14 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.843 -0.142 19879 3746 1 14 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.428 -1.069 19879 3747 1 14 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.348 -0.816 19879 3748 1 14 . 1 1 13 13 LEU H H 13 7.492 7.492 7.803 -0.311 19879 3749 1 14 . 1 1 14 14 ALA N N 14 118.447 118.447 120.054 -1.607 19879 3750 1 14 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.971 -0.020 19879 3751 1 14 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.816 -0.651 19879 3752 1 14 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.203 -0.968 19879 3753 1 14 . 1 1 14 14 ALA H H 14 8.038 8.038 8.049 -0.011 19879 3754 1 14 . 1 1 15 15 GLU N N 15 117.320 117.320 117.323 -0.003 19879 3755 1 14 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.126 -0.034 19879 3756 1 14 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.259 -0.767 19879 3757 1 14 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.710 -1.264 19879 3758 1 14 . 1 1 15 15 GLU H H 15 7.085 7.085 7.853 -0.768 19879 3759 1 14 . 1 1 16 16 ILE N N 16 116.223 116.223 119.322 -3.099 19879 3760 1 14 . 1 1 16 16 ILE HA H 16 3.608 3.608 3.964 -0.356 19879 3761 1 14 . 1 1 16 16 ILE CA C 16 64.020 64.020 63.306 0.714 19879 3762 1 14 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.709 -0.987 19879 3763 1 14 . 1 1 16 16 ILE H H 16 7.331 7.331 7.399 -0.068 19879 3764 1 14 . 1 1 17 17 ILE N N 17 116.602 116.602 119.492 -2.890 19879 3765 1 14 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.743 -0.095 19879 3766 1 14 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.400 -1.121 19879 3767 1 14 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.772 -0.313 19879 3768 1 14 . 1 1 17 17 ILE H H 17 8.214 8.214 7.462 0.752 19879 3769 1 14 . 1 1 18 18 ALA N N 18 119.329 119.329 120.296 -0.967 19879 3770 1 14 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.225 -0.045 19879 3771 1 14 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.540 0.196 19879 3772 1 14 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.441 -0.867 19879 3773 1 14 . 1 1 18 18 ALA H H 18 8.056 8.056 7.830 0.226 19879 3774 1 14 . 1 1 19 19 ASN N N 19 110.910 110.910 115.219 -4.309 19879 3775 1 14 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.822 0.200 19879 3776 1 14 . 1 1 19 19 ASN CA C 19 53.590 53.590 54.142 -0.552 19879 3777 1 14 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.711 0.383 19879 3778 1 14 . 1 1 19 19 ASN H H 19 7.295 7.295 8.016 -0.721 19879 3779 1 14 . 1 1 20 20 LEU N N 20 119.881 119.881 122.356 -2.475 19879 3780 1 14 . 1 1 20 20 LEU HA H 20 4.723 4.723 3.754 0.969 19879 3781 1 14 . 1 1 20 20 LEU CA C 20 53.487 53.487 55.624 -2.137 19879 3782 1 14 . 1 1 20 20 LEU CB C 20 43.809 43.809 42.663 1.146 19879 3783 1 14 . 1 1 20 20 LEU H H 20 8.134 8.134 7.541 0.593 19879 3784 1 14 . 1 1 21 21 ASP N N 21 119.289 119.289 124.077 -4.788 19879 3785 1 14 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.045 0.070 19879 3786 1 14 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.855 -2.282 19879 3787 1 14 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.478 -1.226 19879 3788 1 14 . 1 1 21 21 ASP H H 21 8.081 8.081 8.165 -0.084 19879 3789 1 14 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.228 -0.292 19879 3790 1 14 . 1 1 22 22 PRO CA C 22 64.351 64.351 65.108 -0.757 19879 3791 1 14 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.933 -0.406 19879 3792 1 14 . 1 1 23 23 THR N N 23 109.956 109.956 110.697 -0.741 19879 3793 1 14 . 1 1 23 23 THR HA H 23 3.770 3.770 4.144 -0.374 19879 3794 1 14 . 1 1 23 23 THR CA C 23 65.649 65.649 66.026 -0.377 19879 3795 1 14 . 1 1 23 23 THR CB C 23 67.525 67.525 68.453 -0.928 19879 3796 1 14 . 1 1 23 23 THR H H 23 8.130 8.130 8.127 0.003 19879 3797 1 14 . 1 1 24 24 LYS N N 24 121.423 121.423 122.376 -0.953 19879 3798 1 14 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.279 -0.115 19879 3799 1 14 . 1 1 24 24 LYS CA C 24 57.783 57.783 59.169 -1.386 19879 3800 1 14 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.591 -1.162 19879 3801 1 14 . 1 1 24 24 LYS H H 24 7.410 7.410 7.780 -0.370 19879 3802 1 14 . 1 1 25 25 ILE N N 25 118.727 118.727 116.322 2.405 19879 3803 1 14 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.918 -0.470 19879 3804 1 14 . 1 1 25 25 ILE CA C 25 63.939 63.939 64.090 -0.151 19879 3805 1 14 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.836 -0.688 19879 3806 1 14 . 1 1 25 25 ILE H H 25 7.255 7.255 7.596 -0.341 19879 3807 1 14 . 1 1 26 26 LEU N N 26 117.967 117.967 121.453 -3.486 19879 3808 1 14 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.971 -0.238 19879 3809 1 14 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.516 -0.932 19879 3810 1 14 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.614 -0.744 19879 3811 1 14 . 1 1 26 26 LEU H H 26 7.893 7.893 7.639 0.254 19879 3812 1 14 . 1 1 27 27 GLU N N 27 117.202 117.202 118.910 -1.708 19879 3813 1 14 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.958 -0.162 19879 3814 1 14 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.992 -1.010 19879 3815 1 14 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.273 -0.499 19879 3816 1 14 . 1 1 27 27 GLU H H 27 7.851 7.851 7.653 0.198 19879 3817 1 14 . 1 1 28 28 GLU N N 28 119.243 119.243 119.209 0.034 19879 3818 1 14 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.199 -0.072 19879 3819 1 14 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.697 -1.480 19879 3820 1 14 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.469 -1.270 19879 3821 1 14 . 1 1 28 28 GLU H H 28 7.597 7.597 8.025 -0.428 19879 3822 1 14 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.057 -0.182 19879 3823 1 14 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.600 -0.158 19879 3824 1 14 . 1 1 29 29 LEU CB C 29 40.811 40.811 41.970 -1.159 19879 3825 1 14 . 1 1 30 30 LEU N N 30 121.505 121.505 118.692 2.813 19879 3826 1 14 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.038 0.077 19879 3827 1 14 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.373 0.486 19879 3828 1 14 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.668 -0.402 19879 3829 1 14 . 1 1 30 30 LEU H H 30 8.508 8.508 7.786 0.722 19879 3830 1 14 . 1 1 31 31 ARG N N 31 120.484 120.484 117.847 2.637 19879 3831 1 14 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.105 -0.056 19879 3832 1 14 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.528 -0.059 19879 3833 1 14 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.116 -0.743 19879 3834 1 14 . 1 1 31 31 ARG H H 31 8.274 8.274 7.526 0.748 19879 3835 1 14 . 1 1 32 32 ARG N N 32 114.502 114.502 117.878 -3.376 19879 3836 1 14 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.384 0.069 19879 3837 1 14 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.349 -2.687 19879 3838 1 14 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.545 -1.044 19879 3839 1 14 . 1 1 32 32 ARG H H 32 7.291 7.291 7.721 -0.430 19879 3840 1 14 . 1 1 33 33 GLY N N 33 108.310 108.310 107.250 1.060 19879 3841 1 14 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.263 0.328 19879 3842 1 14 . 1 1 33 33 GLY H H 33 8.134 8.134 7.534 0.600 19879 3843 1 14 . 1 1 34 34 LEU N N 34 117.715 117.715 119.531 -1.816 19879 3844 1 14 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.447 -0.042 19879 3845 1 14 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.416 -2.088 19879 3846 1 14 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.987 -1.457 19879 3847 1 14 . 1 1 34 34 LEU H H 34 8.121 8.121 7.948 0.173 19879 3848 1 14 . 1 1 35 35 LEU N N 35 119.920 119.920 119.026 0.894 19879 3849 1 14 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.529 0.036 19879 3850 1 14 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.885 -1.062 19879 3851 1 14 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.318 2.408 19879 3852 1 14 . 1 1 35 35 LEU H H 35 7.219 7.219 7.394 -0.175 19879 3853 1 14 . 1 1 36 36 THR N N 36 115.405 115.405 115.148 0.257 19879 3854 1 14 . 1 1 36 36 THR HA H 36 4.743 4.743 4.779 -0.036 19879 3855 1 14 . 1 1 36 36 THR CA C 36 59.034 59.034 58.468 0.566 19879 3856 1 14 . 1 1 36 36 THR CB C 36 68.143 68.143 69.213 -1.070 19879 3857 1 14 . 1 1 36 36 THR H H 36 8.948 8.948 8.116 0.832 19879 3858 1 14 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.307 -0.220 19879 3859 1 14 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.190 -0.083 19879 3860 1 14 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.368 -0.531 19879 3861 1 14 . 1 1 38 38 ALA N N 38 119.090 119.090 119.757 -0.667 19879 3862 1 14 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.196 -0.096 19879 3863 1 14 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.836 -0.549 19879 3864 1 14 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.408 -0.719 19879 3865 1 14 . 1 1 38 38 ALA H H 38 7.975 7.975 8.335 -0.360 19879 3866 1 14 . 1 1 39 39 GLU N N 39 120.475 120.475 118.859 1.616 19879 3867 1 14 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.068 -0.283 19879 3868 1 14 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.511 -0.227 19879 3869 1 14 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.377 -0.121 19879 3870 1 14 . 1 1 39 39 GLU H H 39 7.592 7.592 7.611 -0.019 19879 3871 1 14 . 1 1 40 40 LEU N N 40 118.126 118.126 121.410 -3.284 19879 3872 1 14 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.923 -0.096 19879 3873 1 14 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.230 -0.211 19879 3874 1 14 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.130 -1.186 19879 3875 1 14 . 1 1 40 40 LEU H H 40 7.878 7.878 7.956 -0.078 19879 3876 1 14 . 1 1 41 41 GLN N N 41 116.956 116.956 116.937 0.019 19879 3877 1 14 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.960 -0.249 19879 3878 1 14 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.916 -1.356 19879 3879 1 14 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.198 -0.664 19879 3880 1 14 . 1 1 41 41 GLN H H 41 7.957 7.957 8.010 -0.053 19879 3881 1 14 . 1 1 42 42 GLU N N 42 117.014 117.014 119.708 -2.694 19879 3882 1 14 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.176 -0.141 19879 3883 1 14 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.128 -0.263 19879 3884 1 14 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.458 -0.359 19879 3885 1 14 . 1 1 42 42 GLU H H 42 7.676 7.676 7.572 0.104 19879 3886 1 14 . 1 1 43 43 VAL N N 43 116.546 116.546 119.289 -2.743 19879 3887 1 14 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.923 -0.255 19879 3888 1 14 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.859 0.735 19879 3889 1 14 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.085 -1.466 19879 3890 1 14 . 1 1 43 43 VAL H H 43 7.566 7.566 7.518 0.048 19879 3891 1 14 . 1 1 44 44 LEU N N 44 118.168 118.168 117.924 0.244 19879 3892 1 14 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.244 -0.299 19879 3893 1 14 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.653 -0.289 19879 3894 1 14 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.326 -1.778 19879 3895 1 14 . 1 1 44 44 LEU H H 44 8.199 8.199 8.269 -0.070 19879 3896 1 14 . 1 1 45 45 ASP N N 45 116.834 116.834 117.967 -1.133 19879 3897 1 14 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.502 -0.024 19879 3898 1 14 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.787 -2.053 19879 3899 1 14 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.599 -1.043 19879 3900 1 14 . 1 1 45 45 ASP H H 45 7.776 7.776 7.518 0.258 19879 3901 1 14 . 1 1 46 46 LEU N N 46 121.360 121.360 117.541 3.819 19879 3902 1 14 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.414 0.028 19879 3903 1 14 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.206 -1.147 19879 3904 1 14 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.441 -1.294 19879 3905 1 14 . 1 1 46 46 LEU H H 46 7.548 7.548 7.398 0.150 19879 3906 1 14 . 1 1 47 47 LYS N N 47 116.693 116.693 119.957 -3.264 19879 3907 1 14 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.432 -0.255 19879 3908 1 14 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.024 1.435 19879 3909 1 14 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.671 0.114 19879 3910 1 14 . 1 1 47 47 LYS H H 47 8.586 8.586 8.515 0.071 19879 3911 1 14 . 1 1 48 48 THR N N 48 107.567 107.567 114.373 -6.806 19879 3912 1 14 . 1 1 48 48 THR HA H 48 5.013 5.013 4.745 0.268 19879 3913 1 14 . 1 1 48 48 THR CA C 48 57.421 57.421 59.076 -1.655 19879 3914 1 14 . 1 1 48 48 THR CB C 48 69.457 69.457 68.536 0.921 19879 3915 1 14 . 1 1 48 48 THR H H 48 7.459 7.459 7.619 -0.160 19879 3916 1 14 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.209 0.127 19879 3917 1 14 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.524 -1.357 19879 3918 1 14 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.899 -0.651 19879 3919 1 14 . 1 1 50 50 GLU N N 50 117.217 117.217 116.433 0.784 19879 3920 1 14 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.950 -0.132 19879 3921 1 14 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.906 0.200 19879 3922 1 14 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.996 -0.892 19879 3923 1 14 . 1 1 50 50 GLU H H 50 9.036 9.036 8.853 0.183 19879 3924 1 14 . 1 1 51 51 GLU N N 51 117.482 117.482 119.451 -1.969 19879 3925 1 14 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.065 -0.154 19879 3926 1 14 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.990 -0.383 19879 3927 1 14 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.414 1.190 19879 3928 1 14 . 1 1 51 51 GLU H H 51 7.561 7.561 7.728 -0.167 19879 3929 1 14 . 1 1 52 52 GLN N N 52 118.967 118.967 119.131 -0.164 19879 3930 1 14 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.953 -0.164 19879 3931 1 14 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.147 -0.177 19879 3932 1 14 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.601 -1.079 19879 3933 1 14 . 1 1 52 52 GLN H H 52 8.125 8.125 8.004 0.121 19879 3934 1 14 . 1 1 53 53 ALA N N 53 119.946 119.946 121.561 -1.615 19879 3935 1 14 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.937 -0.190 19879 3936 1 14 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.224 -0.465 19879 3937 1 14 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.310 0.044 19879 3938 1 14 . 1 1 53 53 ALA H H 53 8.698 8.698 7.664 1.034 19879 3939 1 14 . 1 1 54 54 LYS N N 54 115.558 115.558 117.312 -1.754 19879 3940 1 14 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.971 -0.279 19879 3941 1 14 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.122 0.014 19879 3942 1 14 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.104 -0.311 19879 3943 1 14 . 1 1 54 54 LYS H H 54 7.647 7.647 7.612 0.035 19879 3944 1 14 . 1 1 55 55 LYS N N 55 119.514 119.514 119.757 -0.243 19879 3945 1 14 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.031 -0.179 19879 3946 1 14 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.831 -2.462 19879 3947 1 14 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.256 -2.155 19879 3948 1 14 . 1 1 55 55 LYS H H 55 7.593 7.593 7.882 -0.289 19879 3949 1 14 . 1 1 56 56 LEU N N 56 118.162 118.162 121.023 -2.861 19879 3950 1 14 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.196 -0.361 19879 3951 1 14 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.189 -0.308 19879 3952 1 14 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.258 -1.196 19879 3953 1 14 . 1 1 56 56 LEU H H 56 8.035 8.035 7.557 0.478 19879 3954 1 14 . 1 1 57 57 ILE N N 57 116.360 116.360 118.099 -1.739 19879 3955 1 14 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.580 -0.048 19879 3956 1 14 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.324 -2.717 19879 3957 1 14 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.472 -2.280 19879 3958 1 14 . 1 1 57 57 ILE H H 57 7.769 7.769 7.810 -0.041 19879 3959 1 14 . 1 1 58 58 ASP N N 58 121.683 121.683 120.451 1.232 19879 3960 1 14 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.396 -0.160 19879 3961 1 14 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.158 -0.078 19879 3962 1 14 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.810 -0.813 19879 3963 1 14 . 1 1 58 58 ASP H H 58 7.859 7.859 7.741 0.118 19879 3964 1 14 . 1 1 59 59 PHE N N 59 115.587 115.587 116.139 -0.552 19879 3965 1 14 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.428 0.022 19879 3966 1 14 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.893 -2.540 19879 3967 1 14 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.616 -2.866 19879 3968 1 14 . 1 1 59 59 PHE H H 59 7.968 7.968 7.326 0.642 19879 3969 1 14 . 1 1 60 60 ILE N N 60 117.997 117.997 114.394 3.603 19879 3970 1 14 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.260 -0.476 19879 3971 1 14 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.815 1.010 19879 3972 1 14 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.080 -0.143 19879 3973 1 14 . 1 1 60 60 ILE H H 60 7.787 7.787 7.471 0.316 19879 3974 1 14 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.251 -0.118 19879 3975 1 14 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.055 -0.594 19879 3976 1 14 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.147 -2.158 19879 3977 1 15 . 1 1 2 2 THR N N 2 116.344 116.344 117.917 -1.573 19879 3978 1 15 . 1 1 2 2 THR HA H 2 4.607 4.607 4.864 -0.257 19879 3979 1 15 . 1 1 2 2 THR CA C 2 59.469 59.469 59.665 -0.196 19879 3980 1 15 . 1 1 2 2 THR CB C 2 67.629 67.629 69.619 -1.990 19879 3981 1 15 . 1 1 2 2 THR H H 2 8.950 8.950 8.409 0.541 19879 3982 1 15 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.304 -0.129 19879 3983 1 15 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.712 0.471 19879 3984 1 15 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.082 -1.116 19879 3985 1 15 . 1 1 4 4 GLU N N 4 116.437 116.437 117.894 -1.457 19879 3986 1 15 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.205 -0.189 19879 3987 1 15 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.392 0.434 19879 3988 1 15 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.365 -1.101 19879 3989 1 15 . 1 1 4 4 GLU H H 4 8.943 8.943 8.642 0.301 19879 3990 1 15 . 1 1 5 5 GLN N N 5 120.183 120.183 118.965 1.218 19879 3991 1 15 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.358 -0.614 19879 3992 1 15 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.816 0.282 19879 3993 1 15 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.155 -1.314 19879 3994 1 15 . 1 1 5 5 GLN H H 5 7.708 7.708 7.774 -0.066 19879 3995 1 15 . 1 1 6 6 ARG N N 6 119.108 119.108 118.229 0.879 19879 3996 1 15 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.173 -0.083 19879 3997 1 15 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.345 0.614 19879 3998 1 15 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.175 -0.996 19879 3999 1 15 . 1 1 6 6 ARG H H 6 8.391 8.391 7.854 0.537 19879 4000 1 15 . 1 1 7 7 GLU N N 7 116.726 116.726 117.590 -0.864 19879 4001 1 15 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.153 -0.058 19879 4002 1 15 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.873 -0.519 19879 4003 1 15 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.266 -1.125 19879 4004 1 15 . 1 1 7 7 GLU H H 7 8.000 8.000 7.773 0.227 19879 4005 1 15 . 1 1 8 8 PHE N N 8 119.217 119.217 116.904 2.313 19879 4006 1 15 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.580 0.080 19879 4007 1 15 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.719 -1.664 19879 4008 1 15 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.685 0.051 19879 4009 1 15 . 1 1 8 8 PHE H H 8 7.706 7.706 7.602 0.104 19879 4010 1 15 . 1 1 9 9 LEU N N 9 119.532 119.532 121.600 -2.068 19879 4011 1 15 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.138 -0.146 19879 4012 1 15 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.655 -2.029 19879 4013 1 15 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.614 -0.320 19879 4014 1 15 . 1 1 9 9 LEU H H 9 7.840 7.840 8.362 -0.522 19879 4015 1 15 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.304 -0.199 19879 4016 1 15 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.008 0.674 19879 4017 1 15 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.005 -0.515 19879 4018 1 15 . 1 1 11 11 GLU N N 11 116.603 116.603 117.040 -0.437 19879 4019 1 15 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.268 -0.289 19879 4020 1 15 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.525 -0.187 19879 4021 1 15 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.898 -1.534 19879 4022 1 15 . 1 1 11 11 GLU H H 11 8.019 8.019 7.792 0.227 19879 4023 1 15 . 1 1 12 12 ILE N N 12 120.060 120.060 117.296 2.764 19879 4024 1 15 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.006 -0.684 19879 4025 1 15 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.592 0.933 19879 4026 1 15 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.727 -0.609 19879 4027 1 15 . 1 1 12 12 ILE H H 12 7.398 7.398 7.465 -0.067 19879 4028 1 15 . 1 1 13 13 LEU N N 13 117.822 117.822 121.240 -3.418 19879 4029 1 15 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.842 -0.141 19879 4030 1 15 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.493 -1.134 19879 4031 1 15 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.554 -1.022 19879 4032 1 15 . 1 1 13 13 LEU H H 13 7.492 7.492 7.730 -0.238 19879 4033 1 15 . 1 1 14 14 ALA N N 14 118.447 118.447 119.068 -0.621 19879 4034 1 15 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.006 -0.055 19879 4035 1 15 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.846 -0.681 19879 4036 1 15 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.241 -1.005 19879 4037 1 15 . 1 1 14 14 ALA H H 14 8.038 8.038 7.857 0.181 19879 4038 1 15 . 1 1 15 15 GLU N N 15 117.320 117.320 117.274 0.046 19879 4039 1 15 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.130 -0.038 19879 4040 1 15 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.265 -0.773 19879 4041 1 15 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.723 -1.276 19879 4042 1 15 . 1 1 15 15 GLU H H 15 7.085 7.085 8.056 -0.971 19879 4043 1 15 . 1 1 16 16 ILE N N 16 116.223 116.223 118.812 -2.589 19879 4044 1 15 . 1 1 16 16 ILE HA H 16 3.608 3.608 3.984 -0.376 19879 4045 1 15 . 1 1 16 16 ILE CA C 16 64.020 64.020 63.327 0.693 19879 4046 1 15 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.745 -1.023 19879 4047 1 15 . 1 1 16 16 ILE H H 16 7.331 7.331 7.520 -0.189 19879 4048 1 15 . 1 1 17 17 ILE N N 17 116.602 116.602 120.253 -3.651 19879 4049 1 15 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.727 -0.079 19879 4050 1 15 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.614 -1.335 19879 4051 1 15 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.536 -0.077 19879 4052 1 15 . 1 1 17 17 ILE H H 17 8.214 8.214 7.560 0.654 19879 4053 1 15 . 1 1 18 18 ALA N N 18 119.329 119.329 120.182 -0.853 19879 4054 1 15 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.309 -0.129 19879 4055 1 15 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.316 0.420 19879 4056 1 15 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.362 -0.788 19879 4057 1 15 . 1 1 18 18 ALA H H 18 8.056 8.056 8.010 0.046 19879 4058 1 15 . 1 1 19 19 ASN N N 19 110.910 110.910 115.525 -4.615 19879 4059 1 15 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.905 0.117 19879 4060 1 15 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.932 0.658 19879 4061 1 15 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.442 0.652 19879 4062 1 15 . 1 1 19 19 ASN H H 19 7.295 7.295 7.780 -0.485 19879 4063 1 15 . 1 1 20 20 LEU N N 20 119.881 119.881 120.881 -1.000 19879 4064 1 15 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.407 0.316 19879 4065 1 15 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.574 -1.087 19879 4066 1 15 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.852 -1.043 19879 4067 1 15 . 1 1 20 20 LEU H H 20 8.134 8.134 7.297 0.837 19879 4068 1 15 . 1 1 21 21 ASP N N 21 119.289 119.289 124.072 -4.783 19879 4069 1 15 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.040 0.075 19879 4070 1 15 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.872 -2.299 19879 4071 1 15 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.264 -1.012 19879 4072 1 15 . 1 1 21 21 ASP H H 21 8.081 8.081 8.314 -0.233 19879 4073 1 15 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.229 -0.293 19879 4074 1 15 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.887 -0.536 19879 4075 1 15 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.749 -0.222 19879 4076 1 15 . 1 1 23 23 THR N N 23 109.956 109.956 110.790 -0.834 19879 4077 1 15 . 1 1 23 23 THR HA H 23 3.770 3.770 4.166 -0.396 19879 4078 1 15 . 1 1 23 23 THR CA C 23 65.649 65.649 65.907 -0.258 19879 4079 1 15 . 1 1 23 23 THR CB C 23 67.525 67.525 68.253 -0.728 19879 4080 1 15 . 1 1 23 23 THR H H 23 8.130 8.130 8.302 -0.172 19879 4081 1 15 . 1 1 24 24 LYS N N 24 121.423 121.423 122.682 -1.259 19879 4082 1 15 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.261 -0.097 19879 4083 1 15 . 1 1 24 24 LYS CA C 24 57.783 57.783 59.113 -1.330 19879 4084 1 15 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.593 -1.164 19879 4085 1 15 . 1 1 24 24 LYS H H 24 7.410 7.410 7.753 -0.343 19879 4086 1 15 . 1 1 25 25 ILE N N 25 118.727 118.727 115.989 2.738 19879 4087 1 15 . 1 1 25 25 ILE HA H 25 3.448 3.448 4.045 -0.597 19879 4088 1 15 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.968 -0.029 19879 4089 1 15 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.941 -0.793 19879 4090 1 15 . 1 1 25 25 ILE H H 25 7.255 7.255 7.540 -0.285 19879 4091 1 15 . 1 1 26 26 LEU N N 26 117.967 117.967 121.663 -3.696 19879 4092 1 15 . 1 1 26 26 LEU HA H 26 3.733 3.733 4.016 -0.283 19879 4093 1 15 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.444 -0.860 19879 4094 1 15 . 1 1 26 26 LEU CB C 26 40.870 40.870 42.003 -1.133 19879 4095 1 15 . 1 1 26 26 LEU H H 26 7.893 7.893 7.628 0.265 19879 4096 1 15 . 1 1 27 27 GLU N N 27 117.202 117.202 118.298 -1.096 19879 4097 1 15 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.966 -0.170 19879 4098 1 15 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.616 -0.634 19879 4099 1 15 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.358 -0.584 19879 4100 1 15 . 1 1 27 27 GLU H H 27 7.851 7.851 7.802 0.049 19879 4101 1 15 . 1 1 28 28 GLU N N 28 119.243 119.243 119.631 -0.388 19879 4102 1 15 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.215 -0.088 19879 4103 1 15 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.519 -1.302 19879 4104 1 15 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.479 -1.280 19879 4105 1 15 . 1 1 28 28 GLU H H 28 7.597 7.597 7.896 -0.299 19879 4106 1 15 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.100 -0.225 19879 4107 1 15 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.677 -0.235 19879 4108 1 15 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.092 -1.281 19879 4109 1 15 . 1 1 30 30 LEU N N 30 121.505 121.505 118.891 2.614 19879 4110 1 15 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.030 0.085 19879 4111 1 15 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.404 0.455 19879 4112 1 15 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.668 -0.402 19879 4113 1 15 . 1 1 30 30 LEU H H 30 8.508 8.508 7.791 0.717 19879 4114 1 15 . 1 1 31 31 ARG N N 31 120.484 120.484 119.262 1.222 19879 4115 1 15 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.121 -0.072 19879 4116 1 15 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.361 0.108 19879 4117 1 15 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.098 -0.725 19879 4118 1 15 . 1 1 31 31 ARG H H 31 8.274 8.274 7.554 0.720 19879 4119 1 15 . 1 1 32 32 ARG N N 32 114.502 114.502 116.910 -2.408 19879 4120 1 15 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.389 0.064 19879 4121 1 15 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.058 -2.396 19879 4122 1 15 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.717 -1.216 19879 4123 1 15 . 1 1 32 32 ARG H H 32 7.291 7.291 7.673 -0.382 19879 4124 1 15 . 1 1 33 33 GLY N N 33 108.310 108.310 107.551 0.759 19879 4125 1 15 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.327 0.264 19879 4126 1 15 . 1 1 33 33 GLY H H 33 8.134 8.134 7.692 0.442 19879 4127 1 15 . 1 1 34 34 LEU N N 34 117.715 117.715 119.103 -1.388 19879 4128 1 15 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.460 -0.055 19879 4129 1 15 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.219 -1.891 19879 4130 1 15 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.126 -1.596 19879 4131 1 15 . 1 1 34 34 LEU H H 34 8.121 8.121 8.059 0.062 19879 4132 1 15 . 1 1 35 35 LEU N N 35 119.920 119.920 119.068 0.852 19879 4133 1 15 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.516 0.049 19879 4134 1 15 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.782 -0.959 19879 4135 1 15 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.139 2.587 19879 4136 1 15 . 1 1 35 35 LEU H H 35 7.219 7.219 7.624 -0.405 19879 4137 1 15 . 1 1 36 36 THR N N 36 115.405 115.405 114.299 1.106 19879 4138 1 15 . 1 1 36 36 THR HA H 36 4.743 4.743 4.835 -0.092 19879 4139 1 15 . 1 1 36 36 THR CA C 36 59.034 59.034 57.930 1.104 19879 4140 1 15 . 1 1 36 36 THR CB C 36 68.143 68.143 69.284 -1.141 19879 4141 1 15 . 1 1 36 36 THR H H 36 8.948 8.948 8.178 0.770 19879 4142 1 15 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.305 -0.218 19879 4143 1 15 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.133 -0.026 19879 4144 1 15 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.508 -0.671 19879 4145 1 15 . 1 1 38 38 ALA N N 38 119.090 119.090 120.646 -1.556 19879 4146 1 15 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.168 -0.068 19879 4147 1 15 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.927 -0.640 19879 4148 1 15 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.376 -0.687 19879 4149 1 15 . 1 1 38 38 ALA H H 38 7.975 7.975 8.300 -0.325 19879 4150 1 15 . 1 1 39 39 GLU N N 39 120.475 120.475 118.793 1.682 19879 4151 1 15 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.180 -0.395 19879 4152 1 15 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.507 -0.223 19879 4153 1 15 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.299 -0.043 19879 4154 1 15 . 1 1 39 39 GLU H H 39 7.592 7.592 7.585 0.007 19879 4155 1 15 . 1 1 40 40 LEU N N 40 118.126 118.126 121.350 -3.224 19879 4156 1 15 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.955 -0.128 19879 4157 1 15 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.185 -0.166 19879 4158 1 15 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.102 -1.158 19879 4159 1 15 . 1 1 40 40 LEU H H 40 7.878 7.878 7.892 -0.014 19879 4160 1 15 . 1 1 41 41 GLN N N 41 116.956 116.956 116.732 0.224 19879 4161 1 15 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.975 -0.264 19879 4162 1 15 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.804 -1.244 19879 4163 1 15 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.118 -0.584 19879 4164 1 15 . 1 1 41 41 GLN H H 41 7.957 7.957 8.178 -0.221 19879 4165 1 15 . 1 1 42 42 GLU N N 42 117.014 117.014 120.128 -3.114 19879 4166 1 15 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.145 -0.110 19879 4167 1 15 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.196 -0.331 19879 4168 1 15 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.759 -0.660 19879 4169 1 15 . 1 1 42 42 GLU H H 42 7.676 7.676 7.591 0.085 19879 4170 1 15 . 1 1 43 43 VAL N N 43 116.546 116.546 119.542 -2.996 19879 4171 1 15 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.893 -0.225 19879 4172 1 15 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.027 0.567 19879 4173 1 15 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.122 -1.503 19879 4174 1 15 . 1 1 43 43 VAL H H 43 7.566 7.566 7.538 0.028 19879 4175 1 15 . 1 1 44 44 LEU N N 44 118.168 118.168 117.573 0.595 19879 4176 1 15 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.249 -0.304 19879 4177 1 15 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.673 -0.309 19879 4178 1 15 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.351 -1.803 19879 4179 1 15 . 1 1 44 44 LEU H H 44 8.199 8.199 8.129 0.070 19879 4180 1 15 . 1 1 45 45 ASP N N 45 116.834 116.834 118.209 -1.375 19879 4181 1 15 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.488 -0.010 19879 4182 1 15 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.703 -1.969 19879 4183 1 15 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.668 -1.112 19879 4184 1 15 . 1 1 45 45 ASP H H 45 7.776 7.776 7.613 0.163 19879 4185 1 15 . 1 1 46 46 LEU N N 46 121.360 121.360 117.165 4.195 19879 4186 1 15 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.486 -0.044 19879 4187 1 15 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.871 -0.812 19879 4188 1 15 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.580 -1.433 19879 4189 1 15 . 1 1 46 46 LEU H H 46 7.548 7.548 7.401 0.147 19879 4190 1 15 . 1 1 47 47 LYS N N 47 116.693 116.693 120.362 -3.669 19879 4191 1 15 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.438 -0.261 19879 4192 1 15 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.013 1.446 19879 4193 1 15 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.702 0.083 19879 4194 1 15 . 1 1 47 47 LYS H H 47 8.586 8.586 8.516 0.070 19879 4195 1 15 . 1 1 48 48 THR N N 48 107.567 107.567 113.070 -5.503 19879 4196 1 15 . 1 1 48 48 THR HA H 48 5.013 5.013 4.729 0.284 19879 4197 1 15 . 1 1 48 48 THR CA C 48 57.421 57.421 58.898 -1.477 19879 4198 1 15 . 1 1 48 48 THR CB C 48 69.457 69.457 68.522 0.935 19879 4199 1 15 . 1 1 48 48 THR H H 48 7.459 7.459 7.632 -0.173 19879 4200 1 15 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.157 0.179 19879 4201 1 15 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.317 -1.150 19879 4202 1 15 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.841 -0.593 19879 4203 1 15 . 1 1 50 50 GLU N N 50 117.217 117.217 116.431 0.786 19879 4204 1 15 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.987 -0.169 19879 4205 1 15 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.824 0.282 19879 4206 1 15 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.967 -0.863 19879 4207 1 15 . 1 1 50 50 GLU H H 50 9.036 9.036 8.763 0.273 19879 4208 1 15 . 1 1 51 51 GLU N N 51 117.482 117.482 119.357 -1.875 19879 4209 1 15 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.103 -0.192 19879 4210 1 15 . 1 1 51 51 GLU CA C 51 58.607 58.607 58.834 -0.227 19879 4211 1 15 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.181 1.423 19879 4212 1 15 . 1 1 51 51 GLU H H 51 7.561 7.561 7.785 -0.224 19879 4213 1 15 . 1 1 52 52 GLN N N 52 118.967 118.967 119.154 -0.187 19879 4214 1 15 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.918 -0.129 19879 4215 1 15 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.263 -0.293 19879 4216 1 15 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.622 -1.100 19879 4217 1 15 . 1 1 52 52 GLN H H 52 8.125 8.125 8.192 -0.067 19879 4218 1 15 . 1 1 53 53 ALA N N 53 119.946 119.946 121.209 -1.263 19879 4219 1 15 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.951 -0.204 19879 4220 1 15 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.105 -0.346 19879 4221 1 15 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.191 0.164 19879 4222 1 15 . 1 1 53 53 ALA H H 53 8.698 8.698 7.694 1.004 19879 4223 1 15 . 1 1 54 54 LYS N N 54 115.558 115.558 117.828 -2.270 19879 4224 1 15 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.900 -0.208 19879 4225 1 15 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.198 -0.062 19879 4226 1 15 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.223 -0.430 19879 4227 1 15 . 1 1 54 54 LYS H H 54 7.647 7.647 7.494 0.153 19879 4228 1 15 . 1 1 55 55 LYS N N 55 119.514 119.514 119.345 0.169 19879 4229 1 15 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.617 0.235 19879 4230 1 15 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.685 -2.316 19879 4231 1 15 . 1 1 55 55 LYS CB C 55 30.101 30.101 31.954 -1.853 19879 4232 1 15 . 1 1 55 55 LYS H H 55 7.593 7.593 7.751 -0.158 19879 4233 1 15 . 1 1 56 56 LEU N N 56 118.162 118.162 120.811 -2.649 19879 4234 1 15 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.071 -0.236 19879 4235 1 15 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.118 -0.237 19879 4236 1 15 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.064 -1.002 19879 4237 1 15 . 1 1 56 56 LEU H H 56 8.035 8.035 7.430 0.605 19879 4238 1 15 . 1 1 57 57 ILE N N 57 116.360 116.360 117.756 -1.396 19879 4239 1 15 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.543 -0.011 19879 4240 1 15 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.213 -2.606 19879 4241 1 15 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.452 -2.260 19879 4242 1 15 . 1 1 57 57 ILE H H 57 7.769 7.769 7.537 0.232 19879 4243 1 15 . 1 1 58 58 ASP N N 58 121.683 121.683 120.246 1.437 19879 4244 1 15 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.419 -0.183 19879 4245 1 15 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.514 -0.434 19879 4246 1 15 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.588 -0.591 19879 4247 1 15 . 1 1 58 58 ASP H H 58 7.859 7.859 7.638 0.221 19879 4248 1 15 . 1 1 59 59 PHE N N 59 115.587 115.587 116.580 -0.993 19879 4249 1 15 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.473 -0.023 19879 4250 1 15 . 1 1 59 59 PHE CA C 59 57.353 57.353 58.775 -1.422 19879 4251 1 15 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.004 -2.254 19879 4252 1 15 . 1 1 59 59 PHE H H 59 7.968 7.968 7.500 0.468 19879 4253 1 15 . 1 1 60 60 ILE N N 60 117.997 117.997 115.054 2.943 19879 4254 1 15 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.157 -0.373 19879 4255 1 15 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.715 1.110 19879 4256 1 15 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.184 -0.246 19879 4257 1 15 . 1 1 60 60 ILE H H 60 7.787 7.787 7.525 0.262 19879 4258 1 15 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.276 -0.143 19879 4259 1 15 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.610 -0.149 19879 4260 1 15 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.267 -2.278 19879 4261 1 16 . 1 1 2 2 THR N N 2 116.344 116.344 116.134 0.210 19879 4262 1 16 . 1 1 2 2 THR HA H 2 4.607 4.607 4.779 -0.172 19879 4263 1 16 . 1 1 2 2 THR CA C 2 59.469 59.469 59.581 -0.112 19879 4264 1 16 . 1 1 2 2 THR CB C 2 67.629 67.629 69.425 -1.796 19879 4265 1 16 . 1 1 2 2 THR H H 2 8.950 8.950 7.852 1.098 19879 4266 1 16 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.279 -0.104 19879 4267 1 16 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.782 0.401 19879 4268 1 16 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.081 -1.115 19879 4269 1 16 . 1 1 4 4 GLU N N 4 116.437 116.437 117.875 -1.438 19879 4270 1 16 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.057 -0.041 19879 4271 1 16 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.452 0.374 19879 4272 1 16 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.358 -1.094 19879 4273 1 16 . 1 1 4 4 GLU H H 4 8.943 8.943 8.774 0.169 19879 4274 1 16 . 1 1 5 5 GLN N N 5 120.183 120.183 117.989 2.194 19879 4275 1 16 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.303 -0.559 19879 4276 1 16 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.907 0.192 19879 4277 1 16 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.792 -0.951 19879 4278 1 16 . 1 1 5 5 GLN H H 5 7.708 7.708 8.345 -0.637 19879 4279 1 16 . 1 1 6 6 ARG N N 6 119.108 119.108 118.092 1.016 19879 4280 1 16 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.239 -0.149 19879 4281 1 16 . 1 1 6 6 ARG CA C 6 58.959 58.959 59.288 -0.329 19879 4282 1 16 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.353 -1.174 19879 4283 1 16 . 1 1 6 6 ARG H H 6 8.391 8.391 8.166 0.225 19879 4284 1 16 . 1 1 7 7 GLU N N 7 116.726 116.726 118.274 -1.548 19879 4285 1 16 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.291 -0.196 19879 4286 1 16 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.374 -0.020 19879 4287 1 16 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.116 -0.976 19879 4288 1 16 . 1 1 7 7 GLU H H 7 8.000 8.000 7.911 0.089 19879 4289 1 16 . 1 1 8 8 PHE N N 8 119.217 119.217 120.071 -0.854 19879 4290 1 16 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.378 0.282 19879 4291 1 16 . 1 1 8 8 PHE CA C 8 58.055 58.055 61.440 -3.385 19879 4292 1 16 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.866 0.870 19879 4293 1 16 . 1 1 8 8 PHE H H 8 7.706 7.706 7.638 0.068 19879 4294 1 16 . 1 1 9 9 LEU N N 9 119.532 119.532 119.933 -0.401 19879 4295 1 16 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.083 -0.091 19879 4296 1 16 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.260 -1.634 19879 4297 1 16 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.580 -0.286 19879 4298 1 16 . 1 1 9 9 LEU H H 9 7.840 7.840 7.571 0.269 19879 4299 1 16 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.289 -0.184 19879 4300 1 16 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.254 0.428 19879 4301 1 16 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.093 -0.604 19879 4302 1 16 . 1 1 11 11 GLU N N 11 116.603 116.603 117.979 -1.376 19879 4303 1 16 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.127 -0.148 19879 4304 1 16 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.890 -0.552 19879 4305 1 16 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.621 -1.257 19879 4306 1 16 . 1 1 11 11 GLU H H 11 8.019 8.019 7.703 0.316 19879 4307 1 16 . 1 1 12 12 ILE N N 12 120.060 120.060 117.544 2.516 19879 4308 1 16 . 1 1 12 12 ILE HA H 12 3.322 3.322 3.909 -0.587 19879 4309 1 16 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.519 1.006 19879 4310 1 16 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.593 -0.475 19879 4311 1 16 . 1 1 12 12 ILE H H 12 7.398 7.398 7.340 0.058 19879 4312 1 16 . 1 1 13 13 LEU N N 13 117.822 117.822 120.789 -2.967 19879 4313 1 16 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.869 -0.168 19879 4314 1 16 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.136 -0.777 19879 4315 1 16 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.739 -1.207 19879 4316 1 16 . 1 1 13 13 LEU H H 13 7.492 7.492 7.605 -0.113 19879 4317 1 16 . 1 1 14 14 ALA N N 14 118.447 118.447 120.011 -1.564 19879 4318 1 16 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.939 0.012 19879 4319 1 16 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.884 -0.719 19879 4320 1 16 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.169 -0.933 19879 4321 1 16 . 1 1 14 14 ALA H H 14 8.038 8.038 7.771 0.267 19879 4322 1 16 . 1 1 15 15 GLU N N 15 117.320 117.320 116.001 1.319 19879 4323 1 16 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.152 -0.060 19879 4324 1 16 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.017 -0.526 19879 4325 1 16 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.717 -1.270 19879 4326 1 16 . 1 1 15 15 GLU H H 15 7.085 7.085 7.826 -0.741 19879 4327 1 16 . 1 1 16 16 ILE N N 16 116.223 116.223 118.327 -2.104 19879 4328 1 16 . 1 1 16 16 ILE HA H 16 3.608 3.608 3.982 -0.374 19879 4329 1 16 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.435 1.585 19879 4330 1 16 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.981 -1.259 19879 4331 1 16 . 1 1 16 16 ILE H H 16 7.331 7.331 7.259 0.072 19879 4332 1 16 . 1 1 17 17 ILE N N 17 116.602 116.602 118.327 -1.725 19879 4333 1 16 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.708 -0.060 19879 4334 1 16 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.729 -1.450 19879 4335 1 16 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.954 -0.495 19879 4336 1 16 . 1 1 17 17 ILE H H 17 8.214 8.214 7.396 0.818 19879 4337 1 16 . 1 1 18 18 ALA N N 18 119.329 119.329 120.372 -1.043 19879 4338 1 16 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.336 -0.156 19879 4339 1 16 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.372 0.364 19879 4340 1 16 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.250 -0.676 19879 4341 1 16 . 1 1 18 18 ALA H H 18 8.056 8.056 7.934 0.122 19879 4342 1 16 . 1 1 19 19 ASN N N 19 110.910 110.910 115.667 -4.757 19879 4343 1 16 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.851 0.171 19879 4344 1 16 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.887 0.703 19879 4345 1 16 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.846 1.248 19879 4346 1 16 . 1 1 19 19 ASN H H 19 7.295 7.295 7.846 -0.551 19879 4347 1 16 . 1 1 20 20 LEU N N 20 119.881 119.881 120.741 -0.860 19879 4348 1 16 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.527 0.196 19879 4349 1 16 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.690 -1.203 19879 4350 1 16 . 1 1 20 20 LEU CB C 20 43.809 43.809 45.084 -1.275 19879 4351 1 16 . 1 1 20 20 LEU H H 20 8.134 8.134 7.343 0.791 19879 4352 1 16 . 1 1 21 21 ASP N N 21 119.289 119.289 123.982 -4.693 19879 4353 1 16 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.033 0.082 19879 4354 1 16 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.867 -2.294 19879 4355 1 16 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.113 -0.861 19879 4356 1 16 . 1 1 21 21 ASP H H 21 8.081 8.081 8.353 -0.272 19879 4357 1 16 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.187 -0.251 19879 4358 1 16 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.936 -0.585 19879 4359 1 16 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.714 -0.187 19879 4360 1 16 . 1 1 23 23 THR N N 23 109.956 109.956 110.773 -0.817 19879 4361 1 16 . 1 1 23 23 THR HA H 23 3.770 3.770 4.132 -0.362 19879 4362 1 16 . 1 1 23 23 THR CA C 23 65.649 65.649 65.910 -0.261 19879 4363 1 16 . 1 1 23 23 THR CB C 23 67.525 67.525 68.270 -0.745 19879 4364 1 16 . 1 1 23 23 THR H H 23 8.130 8.130 8.233 -0.103 19879 4365 1 16 . 1 1 24 24 LYS N N 24 121.423 121.423 122.292 -0.869 19879 4366 1 16 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.220 -0.056 19879 4367 1 16 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.893 -1.110 19879 4368 1 16 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.513 -1.083 19879 4369 1 16 . 1 1 24 24 LYS H H 24 7.410 7.410 7.820 -0.410 19879 4370 1 16 . 1 1 25 25 ILE N N 25 118.727 118.727 114.936 3.791 19879 4371 1 16 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.876 -0.428 19879 4372 1 16 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.547 0.392 19879 4373 1 16 . 1 1 25 25 ILE CB C 25 37.148 37.148 38.094 -0.946 19879 4374 1 16 . 1 1 25 25 ILE H H 25 7.255 7.255 7.410 -0.155 19879 4375 1 16 . 1 1 26 26 LEU N N 26 117.967 117.967 121.120 -3.153 19879 4376 1 16 . 1 1 26 26 LEU HA H 26 3.733 3.733 4.007 -0.274 19879 4377 1 16 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.039 -0.455 19879 4378 1 16 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.753 -0.883 19879 4379 1 16 . 1 1 26 26 LEU H H 26 7.893 7.893 7.575 0.318 19879 4380 1 16 . 1 1 27 27 GLU N N 27 117.202 117.202 118.766 -1.564 19879 4381 1 16 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.959 -0.163 19879 4382 1 16 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.587 -0.605 19879 4383 1 16 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.283 -0.509 19879 4384 1 16 . 1 1 27 27 GLU H H 27 7.851 7.851 7.775 0.076 19879 4385 1 16 . 1 1 28 28 GLU N N 28 119.243 119.243 118.482 0.761 19879 4386 1 16 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.161 -0.034 19879 4387 1 16 . 1 1 28 28 GLU CA C 28 57.217 57.217 59.023 -1.806 19879 4388 1 16 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.480 -1.282 19879 4389 1 16 . 1 1 28 28 GLU H H 28 7.597 7.597 7.785 -0.188 19879 4390 1 16 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.154 -0.279 19879 4391 1 16 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.216 0.226 19879 4392 1 16 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.029 -1.218 19879 4393 1 16 . 1 1 30 30 LEU N N 30 121.505 121.505 119.235 2.270 19879 4394 1 16 . 1 1 30 30 LEU HA H 30 4.115 4.115 3.987 0.128 19879 4395 1 16 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.586 0.273 19879 4396 1 16 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.591 -0.325 19879 4397 1 16 . 1 1 30 30 LEU H H 30 8.508 8.508 7.811 0.697 19879 4398 1 16 . 1 1 31 31 ARG N N 31 120.484 120.484 118.075 2.409 19879 4399 1 16 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.141 -0.092 19879 4400 1 16 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.328 0.141 19879 4401 1 16 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.216 -0.843 19879 4402 1 16 . 1 1 31 31 ARG H H 31 8.274 8.274 7.495 0.779 19879 4403 1 16 . 1 1 32 32 ARG N N 32 114.502 114.502 118.070 -3.568 19879 4404 1 16 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.368 0.085 19879 4405 1 16 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.248 -2.586 19879 4406 1 16 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.220 -0.719 19879 4407 1 16 . 1 1 32 32 ARG H H 32 7.291 7.291 7.637 -0.346 19879 4408 1 16 . 1 1 33 33 GLY N N 33 108.310 108.310 107.319 0.991 19879 4409 1 16 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.320 0.271 19879 4410 1 16 . 1 1 33 33 GLY H H 33 8.134 8.134 7.596 0.538 19879 4411 1 16 . 1 1 34 34 LEU N N 34 117.715 117.715 119.486 -1.771 19879 4412 1 16 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.469 -0.064 19879 4413 1 16 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.355 -2.026 19879 4414 1 16 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.982 -1.452 19879 4415 1 16 . 1 1 34 34 LEU H H 34 8.121 8.121 7.794 0.327 19879 4416 1 16 . 1 1 35 35 LEU N N 35 119.920 119.920 119.760 0.160 19879 4417 1 16 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.492 0.073 19879 4418 1 16 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.905 -1.082 19879 4419 1 16 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.225 2.501 19879 4420 1 16 . 1 1 35 35 LEU H H 35 7.219 7.219 7.485 -0.266 19879 4421 1 16 . 1 1 36 36 THR N N 36 115.405 115.405 115.211 0.194 19879 4422 1 16 . 1 1 36 36 THR HA H 36 4.743 4.743 4.737 0.006 19879 4423 1 16 . 1 1 36 36 THR CA C 36 59.034 59.034 58.645 0.389 19879 4424 1 16 . 1 1 36 36 THR CB C 36 68.143 68.143 68.911 -0.768 19879 4425 1 16 . 1 1 36 36 THR H H 36 8.948 8.948 8.210 0.738 19879 4426 1 16 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.352 -0.265 19879 4427 1 16 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.057 0.050 19879 4428 1 16 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.387 -0.550 19879 4429 1 16 . 1 1 38 38 ALA N N 38 119.090 119.090 119.542 -0.452 19879 4430 1 16 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.187 -0.087 19879 4431 1 16 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.848 -0.561 19879 4432 1 16 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.366 -0.678 19879 4433 1 16 . 1 1 38 38 ALA H H 38 7.975 7.975 8.400 -0.425 19879 4434 1 16 . 1 1 39 39 GLU N N 39 120.475 120.475 118.887 1.588 19879 4435 1 16 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.056 -0.271 19879 4436 1 16 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.536 -0.252 19879 4437 1 16 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.403 -0.147 19879 4438 1 16 . 1 1 39 39 GLU H H 39 7.592 7.592 7.642 -0.050 19879 4439 1 16 . 1 1 40 40 LEU N N 40 118.126 118.126 121.276 -3.150 19879 4440 1 16 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.944 -0.117 19879 4441 1 16 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.175 -0.156 19879 4442 1 16 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.040 -1.096 19879 4443 1 16 . 1 1 40 40 LEU H H 40 7.878 7.878 7.830 0.048 19879 4444 1 16 . 1 1 41 41 GLN N N 41 116.956 116.956 117.210 -0.254 19879 4445 1 16 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.927 -0.216 19879 4446 1 16 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.792 -1.232 19879 4447 1 16 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.298 -0.764 19879 4448 1 16 . 1 1 41 41 GLN H H 41 7.957 7.957 8.246 -0.289 19879 4449 1 16 . 1 1 42 42 GLU N N 42 117.014 117.014 119.550 -2.536 19879 4450 1 16 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.148 -0.113 19879 4451 1 16 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.017 -0.152 19879 4452 1 16 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.884 -0.785 19879 4453 1 16 . 1 1 42 42 GLU H H 42 7.676 7.676 7.686 -0.010 19879 4454 1 16 . 1 1 43 43 VAL N N 43 116.546 116.546 118.970 -2.424 19879 4455 1 16 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.890 -0.222 19879 4456 1 16 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.969 0.625 19879 4457 1 16 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.964 -1.345 19879 4458 1 16 . 1 1 43 43 VAL H H 43 7.566 7.566 7.488 0.078 19879 4459 1 16 . 1 1 44 44 LEU N N 44 118.168 118.168 118.228 -0.060 19879 4460 1 16 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.281 -0.336 19879 4461 1 16 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.394 -0.030 19879 4462 1 16 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.261 -1.713 19879 4463 1 16 . 1 1 44 44 LEU H H 44 8.199 8.199 8.222 -0.023 19879 4464 1 16 . 1 1 45 45 ASP N N 45 116.834 116.834 118.014 -1.180 19879 4465 1 16 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.566 -0.088 19879 4466 1 16 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.464 -1.730 19879 4467 1 16 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.794 -1.238 19879 4468 1 16 . 1 1 45 45 ASP H H 45 7.776 7.776 7.417 0.359 19879 4469 1 16 . 1 1 46 46 LEU N N 46 121.360 121.360 118.224 3.136 19879 4470 1 16 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.399 0.043 19879 4471 1 16 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.944 -0.885 19879 4472 1 16 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.290 -1.143 19879 4473 1 16 . 1 1 46 46 LEU H H 46 7.548 7.548 7.356 0.192 19879 4474 1 16 . 1 1 47 47 LYS N N 47 116.693 116.693 120.169 -3.476 19879 4475 1 16 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.429 -0.252 19879 4476 1 16 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.663 1.796 19879 4477 1 16 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.293 0.492 19879 4478 1 16 . 1 1 47 47 LYS H H 47 8.586 8.586 8.571 0.015 19879 4479 1 16 . 1 1 48 48 THR N N 48 107.567 107.567 113.991 -6.424 19879 4480 1 16 . 1 1 48 48 THR HA H 48 5.013 5.013 4.782 0.231 19879 4481 1 16 . 1 1 48 48 THR CA C 48 57.421 57.421 58.525 -1.103 19879 4482 1 16 . 1 1 48 48 THR CB C 48 69.457 69.457 68.925 0.532 19879 4483 1 16 . 1 1 48 48 THR H H 48 7.459 7.459 7.513 -0.054 19879 4484 1 16 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.191 0.145 19879 4485 1 16 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.372 -1.205 19879 4486 1 16 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.816 -0.568 19879 4487 1 16 . 1 1 50 50 GLU N N 50 117.217 117.217 116.477 0.740 19879 4488 1 16 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.959 -0.141 19879 4489 1 16 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.906 0.201 19879 4490 1 16 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.002 -0.898 19879 4491 1 16 . 1 1 50 50 GLU H H 50 9.036 9.036 8.854 0.182 19879 4492 1 16 . 1 1 51 51 GLU N N 51 117.482 117.482 119.458 -1.976 19879 4493 1 16 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.071 -0.160 19879 4494 1 16 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.053 -0.447 19879 4495 1 16 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.418 1.186 19879 4496 1 16 . 1 1 51 51 GLU H H 51 7.561 7.561 7.729 -0.168 19879 4497 1 16 . 1 1 52 52 GLN N N 52 118.967 118.967 119.183 -0.216 19879 4498 1 16 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.970 -0.181 19879 4499 1 16 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.117 -0.147 19879 4500 1 16 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.650 -1.128 19879 4501 1 16 . 1 1 52 52 GLN H H 52 8.125 8.125 7.957 0.168 19879 4502 1 16 . 1 1 53 53 ALA N N 53 119.946 119.946 121.216 -1.270 19879 4503 1 16 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.985 -0.238 19879 4504 1 16 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.111 -0.352 19879 4505 1 16 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.310 0.044 19879 4506 1 16 . 1 1 53 53 ALA H H 53 8.698 8.698 7.725 0.973 19879 4507 1 16 . 1 1 54 54 LYS N N 54 115.558 115.558 117.301 -1.743 19879 4508 1 16 . 1 1 54 54 LYS HA H 54 3.692 3.692 4.018 -0.326 19879 4509 1 16 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.109 0.027 19879 4510 1 16 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.208 -0.415 19879 4511 1 16 . 1 1 54 54 LYS H H 54 7.647 7.647 7.535 0.112 19879 4512 1 16 . 1 1 55 55 LYS N N 55 119.514 119.514 119.728 -0.214 19879 4513 1 16 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.051 -0.199 19879 4514 1 16 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.678 -2.309 19879 4515 1 16 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.218 -2.117 19879 4516 1 16 . 1 1 55 55 LYS H H 55 7.593 7.593 7.909 -0.316 19879 4517 1 16 . 1 1 56 56 LEU N N 56 118.162 118.162 120.393 -2.231 19879 4518 1 16 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.147 -0.312 19879 4519 1 16 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.478 -0.598 19879 4520 1 16 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.166 -1.104 19879 4521 1 16 . 1 1 56 56 LEU H H 56 8.035 8.035 7.575 0.460 19879 4522 1 16 . 1 1 57 57 ILE N N 57 116.360 116.360 115.650 0.710 19879 4523 1 16 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.609 -0.077 19879 4524 1 16 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.008 -2.401 19879 4525 1 16 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.269 -2.077 19879 4526 1 16 . 1 1 57 57 ILE H H 57 7.769 7.769 7.513 0.256 19879 4527 1 16 . 1 1 58 58 ASP N N 58 121.683 121.683 119.798 1.885 19879 4528 1 16 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.389 -0.153 19879 4529 1 16 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.309 -0.229 19879 4530 1 16 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.830 -0.833 19879 4531 1 16 . 1 1 58 58 ASP H H 58 7.859 7.859 7.948 -0.089 19879 4532 1 16 . 1 1 59 59 PHE N N 59 115.587 115.587 115.768 -0.181 19879 4533 1 16 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.463 -0.013 19879 4534 1 16 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.252 -1.899 19879 4535 1 16 . 1 1 59 59 PHE CB C 59 36.750 36.750 40.631 -3.881 19879 4536 1 16 . 1 1 59 59 PHE H H 59 7.968 7.968 7.581 0.387 19879 4537 1 16 . 1 1 60 60 ILE N N 60 117.997 117.997 114.720 3.277 19879 4538 1 16 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.120 -0.336 19879 4539 1 16 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.757 1.068 19879 4540 1 16 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.452 -0.515 19879 4541 1 16 . 1 1 60 60 ILE H H 60 7.787 7.787 7.756 0.031 19879 4542 1 16 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.201 -0.068 19879 4543 1 16 . 1 1 61 61 LEU CA C 61 55.461 55.461 56.356 -0.895 19879 4544 1 16 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.145 -2.156 19879 4545 1 17 . 1 1 2 2 THR N N 2 116.344 116.344 114.650 1.694 19879 4546 1 17 . 1 1 2 2 THR HA H 2 4.607 4.607 4.743 -0.136 19879 4547 1 17 . 1 1 2 2 THR CA C 2 59.469 59.469 59.293 0.176 19879 4548 1 17 . 1 1 2 2 THR CB C 2 67.629 67.629 70.105 -2.475 19879 4549 1 17 . 1 1 2 2 THR H H 2 8.950 8.950 7.725 1.225 19879 4550 1 17 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.361 -0.186 19879 4551 1 17 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.136 0.047 19879 4552 1 17 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.121 -1.155 19879 4553 1 17 . 1 1 4 4 GLU N N 4 116.437 116.437 117.904 -1.467 19879 4554 1 17 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.210 -0.194 19879 4555 1 17 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.644 0.182 19879 4556 1 17 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.607 -1.343 19879 4557 1 17 . 1 1 4 4 GLU H H 4 8.943 8.943 8.777 0.166 19879 4558 1 17 . 1 1 5 5 GLN N N 5 120.183 120.183 116.458 3.725 19879 4559 1 17 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.190 -0.446 19879 4560 1 17 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.255 0.844 19879 4561 1 17 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.606 -0.765 19879 4562 1 17 . 1 1 5 5 GLN H H 5 7.708 7.708 7.689 0.019 19879 4563 1 17 . 1 1 6 6 ARG N N 6 119.108 119.108 120.231 -1.123 19879 4564 1 17 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.190 -0.100 19879 4565 1 17 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.397 0.562 19879 4566 1 17 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.283 -1.104 19879 4567 1 17 . 1 1 6 6 ARG H H 6 8.391 8.391 7.725 0.666 19879 4568 1 17 . 1 1 7 7 GLU N N 7 116.726 116.726 117.043 -0.317 19879 4569 1 17 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.192 -0.097 19879 4570 1 17 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.822 -0.468 19879 4571 1 17 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.365 -1.224 19879 4572 1 17 . 1 1 7 7 GLU H H 7 8.000 8.000 7.913 0.087 19879 4573 1 17 . 1 1 8 8 PHE N N 8 119.217 119.217 117.204 2.013 19879 4574 1 17 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.634 0.026 19879 4575 1 17 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.766 -1.711 19879 4576 1 17 . 1 1 8 8 PHE CB C 8 40.736 40.736 41.337 -0.600 19879 4577 1 17 . 1 1 8 8 PHE H H 8 7.706 7.706 7.521 0.185 19879 4578 1 17 . 1 1 9 9 LEU N N 9 119.532 119.532 121.180 -1.648 19879 4579 1 17 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.090 -0.098 19879 4580 1 17 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.566 -1.940 19879 4581 1 17 . 1 1 9 9 LEU CB C 9 39.294 39.294 39.947 -0.653 19879 4582 1 17 . 1 1 9 9 LEU H H 9 7.840 7.840 7.995 -0.155 19879 4583 1 17 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.267 -0.162 19879 4584 1 17 . 1 1 10 10 PRO CA C 10 65.682 65.682 64.895 0.787 19879 4585 1 17 . 1 1 10 10 PRO CB C 10 30.489 30.489 30.955 -0.466 19879 4586 1 17 . 1 1 11 11 GLU N N 11 116.603 116.603 117.033 -0.430 19879 4587 1 17 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.185 -0.206 19879 4588 1 17 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.733 -0.395 19879 4589 1 17 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.876 -1.512 19879 4590 1 17 . 1 1 11 11 GLU H H 11 8.019 8.019 7.849 0.170 19879 4591 1 17 . 1 1 12 12 ILE N N 12 120.060 120.060 117.302 2.758 19879 4592 1 17 . 1 1 12 12 ILE HA H 12 3.322 3.322 3.968 -0.646 19879 4593 1 17 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.157 1.368 19879 4594 1 17 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.504 -0.386 19879 4595 1 17 . 1 1 12 12 ILE H H 12 7.398 7.398 7.289 0.109 19879 4596 1 17 . 1 1 13 13 LEU N N 13 117.822 117.822 121.094 -3.272 19879 4597 1 17 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.803 -0.102 19879 4598 1 17 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.838 -0.479 19879 4599 1 17 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.928 -1.396 19879 4600 1 17 . 1 1 13 13 LEU H H 13 7.492 7.492 7.698 -0.206 19879 4601 1 17 . 1 1 14 14 ALA N N 14 118.447 118.447 119.783 -1.336 19879 4602 1 17 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.982 -0.031 19879 4603 1 17 . 1 1 14 14 ALA CA C 14 54.165 54.165 55.083 -0.917 19879 4604 1 17 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.037 -0.801 19879 4605 1 17 . 1 1 14 14 ALA H H 14 8.038 8.038 7.770 0.268 19879 4606 1 17 . 1 1 15 15 GLU N N 15 117.320 117.320 116.268 1.052 19879 4607 1 17 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.192 -0.100 19879 4608 1 17 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.842 -0.349 19879 4609 1 17 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.597 -1.150 19879 4610 1 17 . 1 1 15 15 GLU H H 15 7.085 7.085 7.917 -0.832 19879 4611 1 17 . 1 1 16 16 ILE N N 16 116.223 116.223 118.178 -1.955 19879 4612 1 17 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.104 -0.496 19879 4613 1 17 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.554 1.466 19879 4614 1 17 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.086 -1.364 19879 4615 1 17 . 1 1 16 16 ILE H H 16 7.331 7.331 7.378 -0.047 19879 4616 1 17 . 1 1 17 17 ILE N N 17 116.602 116.602 119.856 -3.254 19879 4617 1 17 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.773 -0.125 19879 4618 1 17 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.664 -1.385 19879 4619 1 17 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.927 -0.468 19879 4620 1 17 . 1 1 17 17 ILE H H 17 8.214 8.214 7.499 0.715 19879 4621 1 17 . 1 1 18 18 ALA N N 18 119.329 119.329 120.604 -1.275 19879 4622 1 17 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.328 -0.148 19879 4623 1 17 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.436 0.300 19879 4624 1 17 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.164 -0.590 19879 4625 1 17 . 1 1 18 18 ALA H H 18 8.056 8.056 7.932 0.124 19879 4626 1 17 . 1 1 19 19 ASN N N 19 110.910 110.910 115.663 -4.753 19879 4627 1 17 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.852 0.170 19879 4628 1 17 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.864 0.726 19879 4629 1 17 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.960 1.134 19879 4630 1 17 . 1 1 19 19 ASN H H 19 7.295 7.295 7.781 -0.486 19879 4631 1 17 . 1 1 20 20 LEU N N 20 119.881 119.881 120.988 -1.107 19879 4632 1 17 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.630 0.093 19879 4633 1 17 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.666 -1.179 19879 4634 1 17 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.810 -1.001 19879 4635 1 17 . 1 1 20 20 LEU H H 20 8.134 8.134 7.320 0.814 19879 4636 1 17 . 1 1 21 21 ASP N N 21 119.289 119.289 124.156 -4.867 19879 4637 1 17 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.057 0.058 19879 4638 1 17 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.983 -2.410 19879 4639 1 17 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.133 -0.881 19879 4640 1 17 . 1 1 21 21 ASP H H 21 8.081 8.081 8.465 -0.384 19879 4641 1 17 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.231 -0.295 19879 4642 1 17 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.849 -0.498 19879 4643 1 17 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.817 -0.290 19879 4644 1 17 . 1 1 23 23 THR N N 23 109.956 109.956 111.068 -1.112 19879 4645 1 17 . 1 1 23 23 THR HA H 23 3.770 3.770 4.127 -0.357 19879 4646 1 17 . 1 1 23 23 THR CA C 23 65.649 65.649 65.846 -0.197 19879 4647 1 17 . 1 1 23 23 THR CB C 23 67.525 67.525 68.450 -0.925 19879 4648 1 17 . 1 1 23 23 THR H H 23 8.130 8.130 8.118 0.012 19879 4649 1 17 . 1 1 24 24 LYS N N 24 121.423 121.423 122.345 -0.922 19879 4650 1 17 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.168 -0.004 19879 4651 1 17 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.885 -1.102 19879 4652 1 17 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.537 -1.108 19879 4653 1 17 . 1 1 24 24 LYS H H 24 7.410 7.410 7.702 -0.292 19879 4654 1 17 . 1 1 25 25 ILE N N 25 118.727 118.727 115.814 2.913 19879 4655 1 17 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.840 -0.392 19879 4656 1 17 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.978 -0.039 19879 4657 1 17 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.748 -0.600 19879 4658 1 17 . 1 1 25 25 ILE H H 25 7.255 7.255 7.458 -0.203 19879 4659 1 17 . 1 1 26 26 LEU N N 26 117.967 117.967 121.556 -3.589 19879 4660 1 17 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.912 -0.179 19879 4661 1 17 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.613 -1.029 19879 4662 1 17 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.783 -0.913 19879 4663 1 17 . 1 1 26 26 LEU H H 26 7.893 7.893 7.584 0.309 19879 4664 1 17 . 1 1 27 27 GLU N N 27 117.202 117.202 118.573 -1.371 19879 4665 1 17 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.930 -0.134 19879 4666 1 17 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.723 -0.741 19879 4667 1 17 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.348 -0.574 19879 4668 1 17 . 1 1 27 27 GLU H H 27 7.851 7.851 7.733 0.118 19879 4669 1 17 . 1 1 28 28 GLU N N 28 119.243 119.243 118.993 0.250 19879 4670 1 17 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.135 -0.008 19879 4671 1 17 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.810 -1.593 19879 4672 1 17 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.323 -1.123 19879 4673 1 17 . 1 1 28 28 GLU H H 28 7.597 7.597 7.687 -0.090 19879 4674 1 17 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.088 -0.213 19879 4675 1 17 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.763 -0.321 19879 4676 1 17 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.237 -1.426 19879 4677 1 17 . 1 1 30 30 LEU N N 30 121.505 121.505 118.573 2.932 19879 4678 1 17 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.039 0.076 19879 4679 1 17 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.274 0.585 19879 4680 1 17 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.798 -0.532 19879 4681 1 17 . 1 1 30 30 LEU H H 30 8.508 8.508 7.626 0.882 19879 4682 1 17 . 1 1 31 31 ARG N N 31 120.484 120.484 117.588 2.896 19879 4683 1 17 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.133 -0.084 19879 4684 1 17 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.224 0.245 19879 4685 1 17 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.218 -0.845 19879 4686 1 17 . 1 1 31 31 ARG H H 31 8.274 8.274 7.532 0.742 19879 4687 1 17 . 1 1 32 32 ARG N N 32 114.502 114.502 117.936 -3.434 19879 4688 1 17 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.413 0.040 19879 4689 1 17 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.912 -2.250 19879 4690 1 17 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.230 -0.729 19879 4691 1 17 . 1 1 32 32 ARG H H 32 7.291 7.291 7.488 -0.197 19879 4692 1 17 . 1 1 33 33 GLY N N 33 108.310 108.310 107.589 0.721 19879 4693 1 17 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.387 0.204 19879 4694 1 17 . 1 1 33 33 GLY H H 33 8.134 8.134 7.602 0.532 19879 4695 1 17 . 1 1 34 34 LEU N N 34 117.715 117.715 119.360 -1.645 19879 4696 1 17 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.450 -0.045 19879 4697 1 17 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.281 -1.953 19879 4698 1 17 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.113 -1.583 19879 4699 1 17 . 1 1 34 34 LEU H H 34 8.121 8.121 7.710 0.411 19879 4700 1 17 . 1 1 35 35 LEU N N 35 119.920 119.920 119.727 0.193 19879 4701 1 17 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.465 0.100 19879 4702 1 17 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.794 -0.971 19879 4703 1 17 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.208 2.518 19879 4704 1 17 . 1 1 35 35 LEU H H 35 7.219 7.219 7.408 -0.189 19879 4705 1 17 . 1 1 36 36 THR N N 36 115.405 115.405 114.553 0.852 19879 4706 1 17 . 1 1 36 36 THR HA H 36 4.743 4.743 4.774 -0.031 19879 4707 1 17 . 1 1 36 36 THR CA C 36 59.034 59.034 58.316 0.718 19879 4708 1 17 . 1 1 36 36 THR CB C 36 68.143 68.143 69.083 -0.940 19879 4709 1 17 . 1 1 36 36 THR H H 36 8.948 8.948 8.171 0.777 19879 4710 1 17 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.339 -0.252 19879 4711 1 17 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.033 0.074 19879 4712 1 17 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.571 -0.734 19879 4713 1 17 . 1 1 38 38 ALA N N 38 119.090 119.090 120.681 -1.591 19879 4714 1 17 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.172 -0.072 19879 4715 1 17 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.919 -0.632 19879 4716 1 17 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.390 -0.701 19879 4717 1 17 . 1 1 38 38 ALA H H 38 7.975 7.975 8.298 -0.323 19879 4718 1 17 . 1 1 39 39 GLU N N 39 120.475 120.475 118.715 1.760 19879 4719 1 17 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.069 -0.284 19879 4720 1 17 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.471 -0.187 19879 4721 1 17 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.376 -0.120 19879 4722 1 17 . 1 1 39 39 GLU H H 39 7.592 7.592 7.600 -0.008 19879 4723 1 17 . 1 1 40 40 LEU N N 40 118.126 118.126 121.277 -3.151 19879 4724 1 17 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.986 -0.159 19879 4725 1 17 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.290 -0.271 19879 4726 1 17 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.086 -1.141 19879 4727 1 17 . 1 1 40 40 LEU H H 40 7.878 7.878 7.912 -0.034 19879 4728 1 17 . 1 1 41 41 GLN N N 41 116.956 116.956 116.657 0.299 19879 4729 1 17 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.988 -0.277 19879 4730 1 17 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.701 -1.141 19879 4731 1 17 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.105 -0.571 19879 4732 1 17 . 1 1 41 41 GLN H H 41 7.957 7.957 8.181 -0.224 19879 4733 1 17 . 1 1 42 42 GLU N N 42 117.014 117.014 120.225 -3.211 19879 4734 1 17 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.155 -0.120 19879 4735 1 17 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.268 -0.403 19879 4736 1 17 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.757 -0.658 19879 4737 1 17 . 1 1 42 42 GLU H H 42 7.676 7.676 7.578 0.098 19879 4738 1 17 . 1 1 43 43 VAL N N 43 116.546 116.546 119.525 -2.979 19879 4739 1 17 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.943 -0.275 19879 4740 1 17 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.586 1.008 19879 4741 1 17 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.698 -1.079 19879 4742 1 17 . 1 1 43 43 VAL H H 43 7.566 7.566 7.570 -0.004 19879 4743 1 17 . 1 1 44 44 LEU N N 44 118.168 118.168 117.933 0.235 19879 4744 1 17 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.302 -0.357 19879 4745 1 17 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.668 -0.304 19879 4746 1 17 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.337 -1.789 19879 4747 1 17 . 1 1 44 44 LEU H H 44 8.199 8.199 8.163 0.036 19879 4748 1 17 . 1 1 45 45 ASP N N 45 116.834 116.834 118.259 -1.425 19879 4749 1 17 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.528 -0.050 19879 4750 1 17 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.557 -1.823 19879 4751 1 17 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.748 -1.192 19879 4752 1 17 . 1 1 45 45 ASP H H 45 7.776 7.776 7.601 0.175 19879 4753 1 17 . 1 1 46 46 LEU N N 46 121.360 121.360 117.495 3.865 19879 4754 1 17 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.462 -0.020 19879 4755 1 17 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.971 -0.912 19879 4756 1 17 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.546 -1.399 19879 4757 1 17 . 1 1 46 46 LEU H H 46 7.548 7.548 7.403 0.145 19879 4758 1 17 . 1 1 47 47 LYS N N 47 116.693 116.693 119.587 -2.894 19879 4759 1 17 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.453 -0.276 19879 4760 1 17 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.926 1.533 19879 4761 1 17 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.751 0.034 19879 4762 1 17 . 1 1 47 47 LYS H H 47 8.586 8.586 8.489 0.097 19879 4763 1 17 . 1 1 48 48 THR N N 48 107.567 107.567 114.310 -6.743 19879 4764 1 17 . 1 1 48 48 THR HA H 48 5.013 5.013 4.752 0.261 19879 4765 1 17 . 1 1 48 48 THR CA C 48 57.421 57.421 59.069 -1.648 19879 4766 1 17 . 1 1 48 48 THR CB C 48 69.457 69.457 68.654 0.803 19879 4767 1 17 . 1 1 48 48 THR H H 48 7.459 7.459 7.616 -0.157 19879 4768 1 17 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.208 0.128 19879 4769 1 17 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.423 -1.256 19879 4770 1 17 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.870 -0.623 19879 4771 1 17 . 1 1 50 50 GLU N N 50 117.217 117.217 117.392 -0.175 19879 4772 1 17 . 1 1 50 50 GLU HA H 50 3.818 3.818 4.036 -0.218 19879 4773 1 17 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.761 0.345 19879 4774 1 17 . 1 1 50 50 GLU CB C 50 28.104 28.104 29.203 -1.099 19879 4775 1 17 . 1 1 50 50 GLU H H 50 9.036 9.036 8.800 0.236 19879 4776 1 17 . 1 1 51 51 GLU N N 51 117.482 117.482 119.458 -1.976 19879 4777 1 17 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.042 -0.131 19879 4778 1 17 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.013 -0.406 19879 4779 1 17 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.376 1.228 19879 4780 1 17 . 1 1 51 51 GLU H H 51 7.561 7.561 7.828 -0.267 19879 4781 1 17 . 1 1 52 52 GLN N N 52 118.967 118.967 118.967 0.000 19879 4782 1 17 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.943 -0.154 19879 4783 1 17 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.121 -0.151 19879 4784 1 17 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.620 -1.098 19879 4785 1 17 . 1 1 52 52 GLN H H 52 8.125 8.125 8.089 0.036 19879 4786 1 17 . 1 1 53 53 ALA N N 53 119.946 119.946 121.232 -1.286 19879 4787 1 17 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.973 -0.226 19879 4788 1 17 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.029 -0.270 19879 4789 1 17 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.266 0.088 19879 4790 1 17 . 1 1 53 53 ALA H H 53 8.698 8.698 7.724 0.974 19879 4791 1 17 . 1 1 54 54 LYS N N 54 115.558 115.558 117.389 -1.831 19879 4792 1 17 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.944 -0.252 19879 4793 1 17 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.115 0.021 19879 4794 1 17 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.158 -0.365 19879 4795 1 17 . 1 1 54 54 LYS H H 54 7.647 7.647 7.467 0.180 19879 4796 1 17 . 1 1 55 55 LYS N N 55 119.514 119.514 119.573 -0.059 19879 4797 1 17 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.651 0.201 19879 4798 1 17 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.413 -2.044 19879 4799 1 17 . 1 1 55 55 LYS CB C 55 30.101 30.101 31.986 -1.885 19879 4800 1 17 . 1 1 55 55 LYS H H 55 7.593 7.593 7.690 -0.097 19879 4801 1 17 . 1 1 56 56 LEU N N 56 118.162 118.162 120.464 -2.302 19879 4802 1 17 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.087 -0.252 19879 4803 1 17 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.067 -0.186 19879 4804 1 17 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.122 -1.060 19879 4805 1 17 . 1 1 56 56 LEU H H 56 8.035 8.035 7.381 0.654 19879 4806 1 17 . 1 1 57 57 ILE N N 57 116.360 116.360 115.209 1.151 19879 4807 1 17 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.600 -0.068 19879 4808 1 17 . 1 1 57 57 ILE CA C 57 62.607 62.607 64.852 -2.245 19879 4809 1 17 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.214 -2.022 19879 4810 1 17 . 1 1 57 57 ILE H H 57 7.769 7.769 7.434 0.335 19879 4811 1 17 . 1 1 58 58 ASP N N 58 121.683 121.683 119.925 1.758 19879 4812 1 17 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.440 -0.204 19879 4813 1 17 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.391 -0.311 19879 4814 1 17 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.707 -0.710 19879 4815 1 17 . 1 1 58 58 ASP H H 58 7.859 7.859 7.636 0.223 19879 4816 1 17 . 1 1 59 59 PHE N N 59 115.587 115.587 116.753 -1.166 19879 4817 1 17 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.472 -0.022 19879 4818 1 17 . 1 1 59 59 PHE CA C 59 57.353 57.353 58.449 -1.096 19879 4819 1 17 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.327 -2.577 19879 4820 1 17 . 1 1 59 59 PHE H H 59 7.968 7.968 7.373 0.595 19879 4821 1 17 . 1 1 60 60 ILE N N 60 117.997 117.997 115.910 2.087 19879 4822 1 17 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.146 -0.362 19879 4823 1 17 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.182 0.643 19879 4824 1 17 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.237 -0.300 19879 4825 1 17 . 1 1 60 60 ILE H H 60 7.787 7.787 7.680 0.107 19879 4826 1 17 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.225 -0.092 19879 4827 1 17 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.673 -0.212 19879 4828 1 17 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.145 -2.156 19879 4829 1 18 . 1 1 2 2 THR N N 2 116.344 116.344 114.625 1.719 19879 4830 1 18 . 1 1 2 2 THR HA H 2 4.607 4.607 4.804 -0.197 19879 4831 1 18 . 1 1 2 2 THR CA C 2 59.469 59.469 59.388 0.081 19879 4832 1 18 . 1 1 2 2 THR CB C 2 67.629 67.629 70.925 -3.296 19879 4833 1 18 . 1 1 2 2 THR H H 2 8.950 8.950 8.073 0.877 19879 4834 1 18 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.245 -0.070 19879 4835 1 18 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.683 0.500 19879 4836 1 18 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.125 -1.159 19879 4837 1 18 . 1 1 4 4 GLU N N 4 116.437 116.437 117.550 -1.113 19879 4838 1 18 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.166 -0.150 19879 4839 1 18 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.893 -0.067 19879 4840 1 18 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.417 -1.153 19879 4841 1 18 . 1 1 4 4 GLU H H 4 8.943 8.943 8.581 0.362 19879 4842 1 18 . 1 1 5 5 GLN N N 5 120.183 120.183 118.691 1.492 19879 4843 1 18 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.409 -0.665 19879 4844 1 18 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.546 0.553 19879 4845 1 18 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.892 -1.051 19879 4846 1 18 . 1 1 5 5 GLN H H 5 7.708 7.708 7.836 -0.128 19879 4847 1 18 . 1 1 6 6 ARG N N 6 119.108 119.108 118.009 1.099 19879 4848 1 18 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.198 -0.108 19879 4849 1 18 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.239 0.720 19879 4850 1 18 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.348 -1.169 19879 4851 1 18 . 1 1 6 6 ARG H H 6 8.391 8.391 7.842 0.549 19879 4852 1 18 . 1 1 7 7 GLU N N 7 116.726 116.726 118.179 -1.453 19879 4853 1 18 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.141 -0.046 19879 4854 1 18 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.470 -1.116 19879 4855 1 18 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.524 -1.383 19879 4856 1 18 . 1 1 7 7 GLU H H 7 8.000 8.000 7.598 0.402 19879 4857 1 18 . 1 1 8 8 PHE N N 8 119.217 119.217 116.660 2.557 19879 4858 1 18 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.853 -0.193 19879 4859 1 18 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.581 -1.526 19879 4860 1 18 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.690 1.046 19879 4861 1 18 . 1 1 8 8 PHE H H 8 7.706 7.706 7.821 -0.115 19879 4862 1 18 . 1 1 9 9 LEU N N 9 119.532 119.532 122.060 -2.528 19879 4863 1 18 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.245 -0.253 19879 4864 1 18 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.586 -0.960 19879 4865 1 18 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.232 -0.938 19879 4866 1 18 . 1 1 9 9 LEU H H 9 7.840 7.840 7.514 0.326 19879 4867 1 18 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.301 -0.196 19879 4868 1 18 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.021 0.661 19879 4869 1 18 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.086 -0.597 19879 4870 1 18 . 1 1 11 11 GLU N N 11 116.603 116.603 117.534 -0.931 19879 4871 1 18 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.147 -0.168 19879 4872 1 18 . 1 1 11 11 GLU CA C 11 58.338 58.338 59.098 -0.760 19879 4873 1 18 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.670 -1.306 19879 4874 1 18 . 1 1 11 11 GLU H H 11 8.019 8.019 8.572 -0.553 19879 4875 1 18 . 1 1 12 12 ILE N N 12 120.060 120.060 116.743 3.317 19879 4876 1 18 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.009 -0.687 19879 4877 1 18 . 1 1 12 12 ILE CA C 12 64.525 64.525 62.840 1.685 19879 4878 1 18 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.562 -0.444 19879 4879 1 18 . 1 1 12 12 ILE H H 12 7.398 7.398 7.369 0.029 19879 4880 1 18 . 1 1 13 13 LEU N N 13 117.822 117.822 120.639 -2.817 19879 4881 1 18 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.843 -0.142 19879 4882 1 18 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.032 -0.673 19879 4883 1 18 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.576 -1.044 19879 4884 1 18 . 1 1 13 13 LEU H H 13 7.492 7.492 7.641 -0.149 19879 4885 1 18 . 1 1 14 14 ALA N N 14 118.447 118.447 119.725 -1.278 19879 4886 1 18 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.996 -0.045 19879 4887 1 18 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.960 -0.795 19879 4888 1 18 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.141 -0.905 19879 4889 1 18 . 1 1 14 14 ALA H H 14 8.038 8.038 7.800 0.238 19879 4890 1 18 . 1 1 15 15 GLU N N 15 117.320 117.320 116.647 0.673 19879 4891 1 18 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.188 -0.096 19879 4892 1 18 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.007 -0.515 19879 4893 1 18 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.699 -1.252 19879 4894 1 18 . 1 1 15 15 GLU H H 15 7.085 7.085 7.871 -0.786 19879 4895 1 18 . 1 1 16 16 ILE N N 16 116.223 116.223 118.519 -2.296 19879 4896 1 18 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.069 -0.461 19879 4897 1 18 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.707 1.313 19879 4898 1 18 . 1 1 16 16 ILE CB C 16 37.722 37.722 39.058 -1.336 19879 4899 1 18 . 1 1 16 16 ILE H H 16 7.331 7.331 7.203 0.128 19879 4900 1 18 . 1 1 17 17 ILE N N 17 116.602 116.602 119.996 -3.394 19879 4901 1 18 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.760 -0.112 19879 4902 1 18 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.620 -1.341 19879 4903 1 18 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.844 -0.385 19879 4904 1 18 . 1 1 17 17 ILE H H 17 8.214 8.214 7.530 0.684 19879 4905 1 18 . 1 1 18 18 ALA N N 18 119.329 119.329 120.415 -1.086 19879 4906 1 18 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.330 -0.150 19879 4907 1 18 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.371 0.365 19879 4908 1 18 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.252 -0.678 19879 4909 1 18 . 1 1 18 18 ALA H H 18 8.056 8.056 7.914 0.142 19879 4910 1 18 . 1 1 19 19 ASN N N 19 110.910 110.910 115.682 -4.772 19879 4911 1 18 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.889 0.133 19879 4912 1 18 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.903 0.687 19879 4913 1 18 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.261 0.833 19879 4914 1 18 . 1 1 19 19 ASN H H 19 7.295 7.295 7.709 -0.414 19879 4915 1 18 . 1 1 20 20 LEU N N 20 119.881 119.881 120.953 -1.072 19879 4916 1 18 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.534 0.189 19879 4917 1 18 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.641 -1.154 19879 4918 1 18 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.976 -1.167 19879 4919 1 18 . 1 1 20 20 LEU H H 20 8.134 8.134 7.321 0.813 19879 4920 1 18 . 1 1 21 21 ASP N N 21 119.289 119.289 124.111 -4.822 19879 4921 1 18 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.055 0.060 19879 4922 1 18 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.841 -2.268 19879 4923 1 18 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.553 -1.302 19879 4924 1 18 . 1 1 21 21 ASP H H 21 8.081 8.081 8.360 -0.279 19879 4925 1 18 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.235 -0.299 19879 4926 1 18 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.735 -0.384 19879 4927 1 18 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.917 -0.390 19879 4928 1 18 . 1 1 23 23 THR N N 23 109.956 109.956 111.327 -1.371 19879 4929 1 18 . 1 1 23 23 THR HA H 23 3.770 3.770 4.100 -0.330 19879 4930 1 18 . 1 1 23 23 THR CA C 23 65.649 65.649 65.209 0.440 19879 4931 1 18 . 1 1 23 23 THR CB C 23 67.525 67.525 68.602 -1.077 19879 4932 1 18 . 1 1 23 23 THR H H 23 8.130 8.130 8.158 -0.028 19879 4933 1 18 . 1 1 24 24 LYS N N 24 121.423 121.423 121.730 -0.307 19879 4934 1 18 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.281 -0.117 19879 4935 1 18 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.788 -1.005 19879 4936 1 18 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.765 -1.336 19879 4937 1 18 . 1 1 24 24 LYS H H 24 7.410 7.410 7.839 -0.429 19879 4938 1 18 . 1 1 25 25 ILE N N 25 118.727 118.727 115.634 3.093 19879 4939 1 18 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.891 -0.443 19879 4940 1 18 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.681 0.258 19879 4941 1 18 . 1 1 25 25 ILE CB C 25 37.148 37.148 38.051 -0.903 19879 4942 1 18 . 1 1 25 25 ILE H H 25 7.255 7.255 7.414 -0.159 19879 4943 1 18 . 1 1 26 26 LEU N N 26 117.967 117.967 121.560 -3.593 19879 4944 1 18 . 1 1 26 26 LEU HA H 26 3.733 3.733 4.012 -0.279 19879 4945 1 18 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.297 -0.713 19879 4946 1 18 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.919 -1.049 19879 4947 1 18 . 1 1 26 26 LEU H H 26 7.893 7.893 7.562 0.331 19879 4948 1 18 . 1 1 27 27 GLU N N 27 117.202 117.202 117.949 -0.747 19879 4949 1 18 . 1 1 27 27 GLU HA H 27 3.796 3.796 4.019 -0.223 19879 4950 1 18 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.651 -0.669 19879 4951 1 18 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.075 -0.301 19879 4952 1 18 . 1 1 27 27 GLU H H 27 7.851 7.851 7.769 0.082 19879 4953 1 18 . 1 1 28 28 GLU N N 28 119.243 119.243 118.305 0.938 19879 4954 1 18 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.176 -0.049 19879 4955 1 18 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.795 -1.578 19879 4956 1 18 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.153 -0.954 19879 4957 1 18 . 1 1 28 28 GLU H H 28 7.597 7.597 7.768 -0.171 19879 4958 1 18 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.166 -0.291 19879 4959 1 18 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.214 0.228 19879 4960 1 18 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.128 -1.317 19879 4961 1 18 . 1 1 30 30 LEU N N 30 121.505 121.505 118.700 2.805 19879 4962 1 18 . 1 1 30 30 LEU HA H 30 4.115 4.115 3.993 0.122 19879 4963 1 18 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.293 0.566 19879 4964 1 18 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.642 -0.376 19879 4965 1 18 . 1 1 30 30 LEU H H 30 8.508 8.508 7.660 0.848 19879 4966 1 18 . 1 1 31 31 ARG N N 31 120.484 120.484 117.476 3.008 19879 4967 1 18 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.145 -0.096 19879 4968 1 18 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.188 0.281 19879 4969 1 18 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.284 -0.911 19879 4970 1 18 . 1 1 31 31 ARG H H 31 8.274 8.274 7.611 0.663 19879 4971 1 18 . 1 1 32 32 ARG N N 32 114.502 114.502 117.018 -2.516 19879 4972 1 18 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.479 -0.026 19879 4973 1 18 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.075 -2.413 19879 4974 1 18 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.275 -0.774 19879 4975 1 18 . 1 1 32 32 ARG H H 32 7.291 7.291 7.615 -0.324 19879 4976 1 18 . 1 1 33 33 GLY N N 33 108.310 108.310 108.889 -0.579 19879 4977 1 18 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.347 0.244 19879 4978 1 18 . 1 1 33 33 GLY H H 33 8.134 8.134 7.633 0.501 19879 4979 1 18 . 1 1 34 34 LEU N N 34 117.715 117.715 119.880 -2.165 19879 4980 1 18 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.305 0.100 19879 4981 1 18 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.704 -2.376 19879 4982 1 18 . 1 1 34 34 LEU CB C 34 41.530 41.530 42.759 -1.229 19879 4983 1 18 . 1 1 34 34 LEU H H 34 8.121 8.121 7.595 0.526 19879 4984 1 18 . 1 1 35 35 LEU N N 35 119.920 119.920 119.301 0.619 19879 4985 1 18 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.494 0.071 19879 4986 1 18 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.847 -1.024 19879 4987 1 18 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.193 2.533 19879 4988 1 18 . 1 1 35 35 LEU H H 35 7.219 7.219 7.356 -0.137 19879 4989 1 18 . 1 1 36 36 THR N N 36 115.405 115.405 114.839 0.566 19879 4990 1 18 . 1 1 36 36 THR HA H 36 4.743 4.743 4.799 -0.056 19879 4991 1 18 . 1 1 36 36 THR CA C 36 59.034 59.034 58.236 0.798 19879 4992 1 18 . 1 1 36 36 THR CB C 36 68.143 68.143 69.130 -0.987 19879 4993 1 18 . 1 1 36 36 THR H H 36 8.948 8.948 8.199 0.749 19879 4994 1 18 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.356 -0.269 19879 4995 1 18 . 1 1 37 37 PRO CA C 37 65.107 65.107 64.960 0.147 19879 4996 1 18 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.581 -0.744 19879 4997 1 18 . 1 1 38 38 ALA N N 38 119.090 119.090 120.729 -1.639 19879 4998 1 18 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.181 -0.081 19879 4999 1 18 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.877 -0.590 19879 5000 1 18 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.401 -0.712 19879 5001 1 18 . 1 1 38 38 ALA H H 38 7.975 7.975 8.307 -0.332 19879 5002 1 18 . 1 1 39 39 GLU N N 39 120.475 120.475 119.043 1.432 19879 5003 1 18 . 1 1 39 39 GLU HA H 39 3.785 3.785 3.979 -0.194 19879 5004 1 18 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.625 -0.341 19879 5005 1 18 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.292 -0.036 19879 5006 1 18 . 1 1 39 39 GLU H H 39 7.592 7.592 7.574 0.018 19879 5007 1 18 . 1 1 40 40 LEU N N 40 118.126 118.126 121.044 -2.918 19879 5008 1 18 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.935 -0.108 19879 5009 1 18 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.179 -0.160 19879 5010 1 18 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.168 -1.224 19879 5011 1 18 . 1 1 40 40 LEU H H 40 7.878 7.878 7.921 -0.043 19879 5012 1 18 . 1 1 41 41 GLN N N 41 116.956 116.956 117.897 -0.941 19879 5013 1 18 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.931 -0.220 19879 5014 1 18 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.705 -1.145 19879 5015 1 18 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.284 -0.750 19879 5016 1 18 . 1 1 41 41 GLN H H 41 7.957 7.957 8.051 -0.094 19879 5017 1 18 . 1 1 42 42 GLU N N 42 117.014 117.014 118.907 -1.893 19879 5018 1 18 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.121 -0.086 19879 5019 1 18 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.062 -0.197 19879 5020 1 18 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.991 -0.892 19879 5021 1 18 . 1 1 42 42 GLU H H 42 7.676 7.676 7.693 -0.017 19879 5022 1 18 . 1 1 43 43 VAL N N 43 116.546 116.546 119.475 -2.929 19879 5023 1 18 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.914 -0.246 19879 5024 1 18 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.917 0.677 19879 5025 1 18 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.131 -1.512 19879 5026 1 18 . 1 1 43 43 VAL H H 43 7.566 7.566 7.532 0.034 19879 5027 1 18 . 1 1 44 44 LEU N N 44 118.168 118.168 117.421 0.747 19879 5028 1 18 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.298 -0.353 19879 5029 1 18 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.260 0.104 19879 5030 1 18 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.157 -1.609 19879 5031 1 18 . 1 1 44 44 LEU H H 44 8.199 8.199 8.286 -0.087 19879 5032 1 18 . 1 1 45 45 ASP N N 45 116.834 116.834 118.178 -1.344 19879 5033 1 18 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.593 -0.115 19879 5034 1 18 . 1 1 45 45 ASP CA C 45 54.734 54.734 57.013 -2.279 19879 5035 1 18 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.827 -1.271 19879 5036 1 18 . 1 1 45 45 ASP H H 45 7.776 7.776 7.401 0.375 19879 5037 1 18 . 1 1 46 46 LEU N N 46 121.360 121.360 117.240 4.120 19879 5038 1 18 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.387 0.055 19879 5039 1 18 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.173 -1.114 19879 5040 1 18 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.430 -1.283 19879 5041 1 18 . 1 1 46 46 LEU H H 46 7.548 7.548 7.266 0.282 19879 5042 1 18 . 1 1 47 47 LYS N N 47 116.693 116.693 119.009 -2.316 19879 5043 1 18 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.519 -0.342 19879 5044 1 18 . 1 1 47 47 LYS CA C 47 57.459 57.459 56.127 1.332 19879 5045 1 18 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.922 -0.137 19879 5046 1 18 . 1 1 47 47 LYS H H 47 8.586 8.586 8.435 0.151 19879 5047 1 18 . 1 1 48 48 THR N N 48 107.567 107.567 114.043 -6.476 19879 5048 1 18 . 1 1 48 48 THR HA H 48 5.013 5.013 4.633 0.380 19879 5049 1 18 . 1 1 48 48 THR CA C 48 57.421 57.421 58.659 -1.238 19879 5050 1 18 . 1 1 48 48 THR CB C 48 69.457 69.457 69.185 0.272 19879 5051 1 18 . 1 1 48 48 THR H H 48 7.459 7.459 7.655 -0.196 19879 5052 1 18 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.186 0.150 19879 5053 1 18 . 1 1 49 49 PRO CA C 49 64.167 64.167 64.873 -0.706 19879 5054 1 18 . 1 1 49 49 PRO CB C 49 31.248 31.248 32.031 -0.783 19879 5055 1 18 . 1 1 50 50 GLU N N 50 117.217 117.217 118.820 -1.603 19879 5056 1 18 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.975 -0.157 19879 5057 1 18 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.737 0.369 19879 5058 1 18 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.858 -0.754 19879 5059 1 18 . 1 1 50 50 GLU H H 50 9.036 9.036 8.842 0.194 19879 5060 1 18 . 1 1 51 51 GLU N N 51 117.482 117.482 119.304 -1.822 19879 5061 1 18 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.065 -0.154 19879 5062 1 18 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.090 -0.483 19879 5063 1 18 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.377 1.227 19879 5064 1 18 . 1 1 51 51 GLU H H 51 7.561 7.561 8.480 -0.919 19879 5065 1 18 . 1 1 52 52 GLN N N 52 118.967 118.967 119.099 -0.132 19879 5066 1 18 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.985 -0.196 19879 5067 1 18 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.202 -0.232 19879 5068 1 18 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.581 -1.059 19879 5069 1 18 . 1 1 52 52 GLN H H 52 8.125 8.125 7.667 0.458 19879 5070 1 18 . 1 1 53 53 ALA N N 53 119.946 119.946 121.281 -1.335 19879 5071 1 18 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.964 -0.217 19879 5072 1 18 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.105 -0.346 19879 5073 1 18 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.303 0.051 19879 5074 1 18 . 1 1 53 53 ALA H H 53 8.698 8.698 7.662 1.036 19879 5075 1 18 . 1 1 54 54 LYS N N 54 115.558 115.558 117.488 -1.930 19879 5076 1 18 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.962 -0.270 19879 5077 1 18 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.208 -0.072 19879 5078 1 18 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.195 -0.402 19879 5079 1 18 . 1 1 54 54 LYS H H 54 7.647 7.647 7.542 0.105 19879 5080 1 18 . 1 1 55 55 LYS N N 55 119.514 119.514 119.697 -0.183 19879 5081 1 18 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.809 0.043 19879 5082 1 18 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.678 -2.309 19879 5083 1 18 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.207 -2.106 19879 5084 1 18 . 1 1 55 55 LYS H H 55 7.593 7.593 7.811 -0.218 19879 5085 1 18 . 1 1 56 56 LEU N N 56 118.162 118.162 120.394 -2.232 19879 5086 1 18 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.141 -0.306 19879 5087 1 18 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.496 -0.615 19879 5088 1 18 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.100 -1.038 19879 5089 1 18 . 1 1 56 56 LEU H H 56 8.035 8.035 7.513 0.522 19879 5090 1 18 . 1 1 57 57 ILE N N 57 116.360 116.360 115.408 0.952 19879 5091 1 18 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.600 -0.068 19879 5092 1 18 . 1 1 57 57 ILE CA C 57 62.607 62.607 64.919 -2.312 19879 5093 1 18 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.257 -2.065 19879 5094 1 18 . 1 1 57 57 ILE H H 57 7.769 7.769 7.511 0.258 19879 5095 1 18 . 1 1 58 58 ASP N N 58 121.683 121.683 119.581 2.102 19879 5096 1 18 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.388 -0.152 19879 5097 1 18 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.200 -0.120 19879 5098 1 18 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.750 -0.753 19879 5099 1 18 . 1 1 58 58 ASP H H 58 7.859 7.859 7.703 0.156 19879 5100 1 18 . 1 1 59 59 PHE N N 59 115.587 115.587 116.899 -1.312 19879 5101 1 18 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.495 -0.045 19879 5102 1 18 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.455 -2.102 19879 5103 1 18 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.869 -3.119 19879 5104 1 18 . 1 1 59 59 PHE H H 59 7.968 7.968 7.523 0.445 19879 5105 1 18 . 1 1 60 60 ILE N N 60 117.997 117.997 116.018 1.979 19879 5106 1 18 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.265 -0.481 19879 5107 1 18 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.071 0.754 19879 5108 1 18 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.207 -0.270 19879 5109 1 18 . 1 1 60 60 ILE H H 60 7.787 7.787 7.873 -0.086 19879 5110 1 18 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.270 -0.137 19879 5111 1 18 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.910 -0.450 19879 5112 1 18 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.238 -2.249 19879 5113 1 19 . 1 1 2 2 THR N N 2 116.344 116.344 114.839 1.505 19879 5114 1 19 . 1 1 2 2 THR HA H 2 4.607 4.607 4.853 -0.246 19879 5115 1 19 . 1 1 2 2 THR CA C 2 59.469 59.469 59.742 -0.273 19879 5116 1 19 . 1 1 2 2 THR CB C 2 67.629 67.629 69.597 -1.968 19879 5117 1 19 . 1 1 2 2 THR H H 2 8.950 8.950 8.371 0.579 19879 5118 1 19 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.341 -0.166 19879 5119 1 19 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.010 0.173 19879 5120 1 19 . 1 1 3 3 PRO CB C 3 30.966 30.966 31.978 -1.012 19879 5121 1 19 . 1 1 4 4 GLU N N 4 116.437 116.437 117.459 -1.022 19879 5122 1 19 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.165 -0.149 19879 5123 1 19 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.438 0.388 19879 5124 1 19 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.262 -0.998 19879 5125 1 19 . 1 1 4 4 GLU H H 4 8.943 8.943 8.644 0.299 19879 5126 1 19 . 1 1 5 5 GLN N N 5 120.183 120.183 119.796 0.387 19879 5127 1 19 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.499 -0.755 19879 5128 1 19 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.727 0.372 19879 5129 1 19 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.898 -1.057 19879 5130 1 19 . 1 1 5 5 GLN H H 5 7.708 7.708 8.385 -0.677 19879 5131 1 19 . 1 1 6 6 ARG N N 6 119.108 119.108 118.156 0.952 19879 5132 1 19 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.212 -0.122 19879 5133 1 19 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.257 0.702 19879 5134 1 19 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.267 -1.088 19879 5135 1 19 . 1 1 6 6 ARG H H 6 8.391 8.391 8.210 0.181 19879 5136 1 19 . 1 1 7 7 GLU N N 7 116.726 116.726 117.574 -0.848 19879 5137 1 19 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.138 -0.043 19879 5138 1 19 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.945 -0.591 19879 5139 1 19 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.436 -1.296 19879 5140 1 19 . 1 1 7 7 GLU H H 7 8.000 8.000 7.727 0.273 19879 5141 1 19 . 1 1 8 8 PHE N N 8 119.217 119.217 116.611 2.606 19879 5142 1 19 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.684 -0.024 19879 5143 1 19 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.060 -1.005 19879 5144 1 19 . 1 1 8 8 PHE CB C 8 40.736 40.736 41.280 -0.544 19879 5145 1 19 . 1 1 8 8 PHE H H 8 7.706 7.706 7.682 0.024 19879 5146 1 19 . 1 1 9 9 LEU N N 9 119.532 119.532 122.238 -2.706 19879 5147 1 19 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.266 -0.274 19879 5148 1 19 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.712 -1.086 19879 5149 1 19 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.355 -1.061 19879 5150 1 19 . 1 1 9 9 LEU H H 9 7.840 7.840 8.128 -0.288 19879 5151 1 19 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.305 -0.200 19879 5152 1 19 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.008 0.674 19879 5153 1 19 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.049 -0.560 19879 5154 1 19 . 1 1 11 11 GLU N N 11 116.603 116.603 117.932 -1.329 19879 5155 1 19 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.139 -0.160 19879 5156 1 19 . 1 1 11 11 GLU CA C 11 58.338 58.338 59.338 -1.000 19879 5157 1 19 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.641 -1.277 19879 5158 1 19 . 1 1 11 11 GLU H H 11 8.019 8.019 8.619 -0.600 19879 5159 1 19 . 1 1 12 12 ILE N N 12 120.060 120.060 117.130 2.930 19879 5160 1 19 . 1 1 12 12 ILE HA H 12 3.322 3.322 3.919 -0.597 19879 5161 1 19 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.568 0.957 19879 5162 1 19 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.652 -0.534 19879 5163 1 19 . 1 1 12 12 ILE H H 12 7.398 7.398 7.325 0.073 19879 5164 1 19 . 1 1 13 13 LEU N N 13 117.822 117.822 121.239 -3.417 19879 5165 1 19 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.847 -0.146 19879 5166 1 19 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.376 -1.017 19879 5167 1 19 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.858 -1.326 19879 5168 1 19 . 1 1 13 13 LEU H H 13 7.492 7.492 7.568 -0.076 19879 5169 1 19 . 1 1 14 14 ALA N N 14 118.447 118.447 118.975 -0.528 19879 5170 1 19 . 1 1 14 14 ALA HA H 14 3.951 3.951 4.007 -0.056 19879 5171 1 19 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.932 -0.767 19879 5172 1 19 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.118 -0.882 19879 5173 1 19 . 1 1 14 14 ALA H H 14 8.038 8.038 7.943 0.095 19879 5174 1 19 . 1 1 15 15 GLU N N 15 117.320 117.320 116.888 0.432 19879 5175 1 19 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.162 -0.070 19879 5176 1 19 . 1 1 15 15 GLU CA C 15 57.492 57.492 57.928 -0.436 19879 5177 1 19 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.518 -1.071 19879 5178 1 19 . 1 1 15 15 GLU H H 15 7.085 7.085 7.971 -0.886 19879 5179 1 19 . 1 1 16 16 ILE N N 16 116.223 116.223 118.223 -2.000 19879 5180 1 19 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.097 -0.489 19879 5181 1 19 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.666 1.354 19879 5182 1 19 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.998 -1.276 19879 5183 1 19 . 1 1 16 16 ILE H H 16 7.331 7.331 7.440 -0.109 19879 5184 1 19 . 1 1 17 17 ILE N N 17 116.602 116.602 120.410 -3.808 19879 5185 1 19 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.712 -0.064 19879 5186 1 19 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.952 -1.673 19879 5187 1 19 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.767 -0.308 19879 5188 1 19 . 1 1 17 17 ILE H H 17 8.214 8.214 7.515 0.699 19879 5189 1 19 . 1 1 18 18 ALA N N 18 119.329 119.329 119.831 -0.502 19879 5190 1 19 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.321 -0.141 19879 5191 1 19 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.286 0.450 19879 5192 1 19 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.147 -0.573 19879 5193 1 19 . 1 1 18 18 ALA H H 18 8.056 8.056 8.090 -0.034 19879 5194 1 19 . 1 1 19 19 ASN N N 19 110.910 110.910 115.850 -4.940 19879 5195 1 19 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.863 0.159 19879 5196 1 19 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.880 0.710 19879 5197 1 19 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.103 0.991 19879 5198 1 19 . 1 1 19 19 ASN H H 19 7.295 7.295 7.695 -0.400 19879 5199 1 19 . 1 1 20 20 LEU N N 20 119.881 119.881 120.860 -0.979 19879 5200 1 19 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.668 0.055 19879 5201 1 19 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.722 -1.235 19879 5202 1 19 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.968 -1.159 19879 5203 1 19 . 1 1 20 20 LEU H H 20 8.134 8.134 7.313 0.821 19879 5204 1 19 . 1 1 21 21 ASP N N 21 119.289 119.289 124.084 -4.795 19879 5205 1 19 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.065 0.050 19879 5206 1 19 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.836 -2.263 19879 5207 1 19 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.238 -0.986 19879 5208 1 19 . 1 1 21 21 ASP H H 21 8.081 8.081 8.474 -0.393 19879 5209 1 19 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.175 -0.239 19879 5210 1 19 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.957 -0.606 19879 5211 1 19 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.755 -0.228 19879 5212 1 19 . 1 1 23 23 THR N N 23 109.956 109.956 109.611 0.345 19879 5213 1 19 . 1 1 23 23 THR HA H 23 3.770 3.770 4.092 -0.322 19879 5214 1 19 . 1 1 23 23 THR CA C 23 65.649 65.649 65.282 0.367 19879 5215 1 19 . 1 1 23 23 THR CB C 23 67.525 67.525 68.539 -1.014 19879 5216 1 19 . 1 1 23 23 THR H H 23 8.130 8.130 8.120 0.010 19879 5217 1 19 . 1 1 24 24 LYS N N 24 121.423 121.423 122.649 -1.226 19879 5218 1 19 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.454 -0.290 19879 5219 1 19 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.842 -1.059 19879 5220 1 19 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.679 -1.250 19879 5221 1 19 . 1 1 24 24 LYS H H 24 7.410 7.410 7.788 -0.378 19879 5222 1 19 . 1 1 25 25 ILE N N 25 118.727 118.727 116.148 2.579 19879 5223 1 19 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.819 -0.371 19879 5224 1 19 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.829 0.110 19879 5225 1 19 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.898 -0.750 19879 5226 1 19 . 1 1 25 25 ILE H H 25 7.255 7.255 7.435 -0.180 19879 5227 1 19 . 1 1 26 26 LEU N N 26 117.967 117.967 121.565 -3.598 19879 5228 1 19 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.912 -0.179 19879 5229 1 19 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.348 -0.764 19879 5230 1 19 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.935 -1.065 19879 5231 1 19 . 1 1 26 26 LEU H H 26 7.893 7.893 7.628 0.265 19879 5232 1 19 . 1 1 27 27 GLU N N 27 117.202 117.202 118.137 -0.935 19879 5233 1 19 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.910 -0.114 19879 5234 1 19 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.309 -0.327 19879 5235 1 19 . 1 1 27 27 GLU CB C 27 28.774 28.774 28.840 -0.066 19879 5236 1 19 . 1 1 27 27 GLU H H 27 7.851 7.851 7.764 0.087 19879 5237 1 19 . 1 1 28 28 GLU N N 28 119.243 119.243 119.564 -0.321 19879 5238 1 19 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.200 -0.073 19879 5239 1 19 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.014 -0.797 19879 5240 1 19 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.459 -1.260 19879 5241 1 19 . 1 1 28 28 GLU H H 28 7.597 7.597 7.977 -0.380 19879 5242 1 19 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.090 -0.215 19879 5243 1 19 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.731 -0.289 19879 5244 1 19 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.188 -1.377 19879 5245 1 19 . 1 1 30 30 LEU N N 30 121.505 121.505 118.519 2.986 19879 5246 1 19 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.047 0.068 19879 5247 1 19 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.278 0.581 19879 5248 1 19 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.618 -0.352 19879 5249 1 19 . 1 1 30 30 LEU H H 30 8.508 8.508 7.636 0.872 19879 5250 1 19 . 1 1 31 31 ARG N N 31 120.484 120.484 118.815 1.669 19879 5251 1 19 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.083 -0.034 19879 5252 1 19 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.550 -0.081 19879 5253 1 19 . 1 1 31 31 ARG CB C 31 29.373 29.373 29.888 -0.515 19879 5254 1 19 . 1 1 31 31 ARG H H 31 8.274 8.274 7.514 0.760 19879 5255 1 19 . 1 1 32 32 ARG N N 32 114.502 114.502 117.250 -2.748 19879 5256 1 19 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.400 0.053 19879 5257 1 19 . 1 1 32 32 ARG CA C 32 53.662 53.662 55.975 -2.313 19879 5258 1 19 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.404 -0.902 19879 5259 1 19 . 1 1 32 32 ARG H H 32 7.291 7.291 7.918 -0.627 19879 5260 1 19 . 1 1 33 33 GLY N N 33 108.310 108.310 107.794 0.516 19879 5261 1 19 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.346 0.245 19879 5262 1 19 . 1 1 33 33 GLY H H 33 8.134 8.134 7.517 0.617 19879 5263 1 19 . 1 1 34 34 LEU N N 34 117.715 117.715 119.249 -1.534 19879 5264 1 19 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.520 -0.115 19879 5265 1 19 . 1 1 34 34 LEU CA C 34 53.328 53.328 54.922 -1.594 19879 5266 1 19 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.088 -1.558 19879 5267 1 19 . 1 1 34 34 LEU H H 34 8.121 8.121 7.694 0.427 19879 5268 1 19 . 1 1 35 35 LEU N N 35 119.920 119.920 120.195 -0.275 19879 5269 1 19 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.690 -0.125 19879 5270 1 19 . 1 1 35 35 LEU CA C 35 52.823 52.823 54.026 -1.203 19879 5271 1 19 . 1 1 35 35 LEU CB C 35 46.726 46.726 43.829 2.897 19879 5272 1 19 . 1 1 35 35 LEU H H 35 7.219 7.219 7.639 -0.420 19879 5273 1 19 . 1 1 36 36 THR N N 36 115.405 115.405 115.877 -0.472 19879 5274 1 19 . 1 1 36 36 THR HA H 36 4.743 4.743 4.881 -0.138 19879 5275 1 19 . 1 1 36 36 THR CA C 36 59.034 59.034 58.227 0.807 19879 5276 1 19 . 1 1 36 36 THR CB C 36 68.143 68.143 69.175 -1.032 19879 5277 1 19 . 1 1 36 36 THR H H 36 8.948 8.948 8.463 0.485 19879 5278 1 19 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.417 -0.330 19879 5279 1 19 . 1 1 37 37 PRO CA C 37 65.107 65.107 64.855 0.253 19879 5280 1 19 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.641 -0.804 19879 5281 1 19 . 1 1 38 38 ALA N N 38 119.090 119.090 120.963 -1.873 19879 5282 1 19 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.173 -0.073 19879 5283 1 19 . 1 1 38 38 ALA CA C 38 54.287 54.287 55.088 -0.801 19879 5284 1 19 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.347 -0.658 19879 5285 1 19 . 1 1 38 38 ALA H H 38 7.975 7.975 8.212 -0.237 19879 5286 1 19 . 1 1 39 39 GLU N N 39 120.475 120.475 118.676 1.799 19879 5287 1 19 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.178 -0.393 19879 5288 1 19 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.331 -0.047 19879 5289 1 19 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.520 -0.264 19879 5290 1 19 . 1 1 39 39 GLU H H 39 7.592 7.592 7.986 -0.394 19879 5291 1 19 . 1 1 40 40 LEU N N 40 118.126 118.126 121.140 -3.014 19879 5292 1 19 . 1 1 40 40 LEU HA H 40 3.827 3.827 4.113 -0.286 19879 5293 1 19 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.180 -0.161 19879 5294 1 19 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.041 -1.097 19879 5295 1 19 . 1 1 40 40 LEU H H 40 7.878 7.878 7.884 -0.006 19879 5296 1 19 . 1 1 41 41 GLN N N 41 116.956 116.956 116.603 0.353 19879 5297 1 19 . 1 1 41 41 GLN HA H 41 3.711 3.711 4.005 -0.294 19879 5298 1 19 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.793 -1.233 19879 5299 1 19 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.235 -0.701 19879 5300 1 19 . 1 1 41 41 GLN H H 41 7.957 7.957 8.067 -0.110 19879 5301 1 19 . 1 1 42 42 GLU N N 42 117.014 117.014 120.223 -3.209 19879 5302 1 19 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.155 -0.120 19879 5303 1 19 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.163 -0.298 19879 5304 1 19 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.537 -0.438 19879 5305 1 19 . 1 1 42 42 GLU H H 42 7.676 7.676 7.433 0.243 19879 5306 1 19 . 1 1 43 43 VAL N N 43 116.546 116.546 119.431 -2.885 19879 5307 1 19 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.896 -0.228 19879 5308 1 19 . 1 1 43 43 VAL CA C 43 65.594 65.594 65.015 0.579 19879 5309 1 19 . 1 1 43 43 VAL CB C 43 30.619 30.619 32.059 -1.440 19879 5310 1 19 . 1 1 43 43 VAL H H 43 7.566 7.566 7.575 -0.009 19879 5311 1 19 . 1 1 44 44 LEU N N 44 118.168 118.168 117.228 0.940 19879 5312 1 19 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.264 -0.319 19879 5313 1 19 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.484 -0.120 19879 5314 1 19 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.301 -1.753 19879 5315 1 19 . 1 1 44 44 LEU H H 44 8.199 8.199 8.132 0.067 19879 5316 1 19 . 1 1 45 45 ASP N N 45 116.834 116.834 118.290 -1.456 19879 5317 1 19 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.533 -0.055 19879 5318 1 19 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.484 -1.750 19879 5319 1 19 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.760 -1.204 19879 5320 1 19 . 1 1 45 45 ASP H H 45 7.776 7.776 7.588 0.188 19879 5321 1 19 . 1 1 46 46 LEU N N 46 121.360 121.360 117.595 3.765 19879 5322 1 19 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.454 -0.012 19879 5323 1 19 . 1 1 46 46 LEU CA C 46 54.059 54.059 54.958 -0.899 19879 5324 1 19 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.556 -1.409 19879 5325 1 19 . 1 1 46 46 LEU H H 46 7.548 7.548 7.409 0.139 19879 5326 1 19 . 1 1 47 47 LYS N N 47 116.693 116.693 119.779 -3.086 19879 5327 1 19 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.437 -0.260 19879 5328 1 19 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.823 1.636 19879 5329 1 19 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.607 0.178 19879 5330 1 19 . 1 1 47 47 LYS H H 47 8.586 8.586 8.477 0.109 19879 5331 1 19 . 1 1 48 48 THR N N 48 107.567 107.567 113.980 -6.413 19879 5332 1 19 . 1 1 48 48 THR HA H 48 5.013 5.013 4.744 0.269 19879 5333 1 19 . 1 1 48 48 THR CA C 48 57.421 57.421 58.275 -0.854 19879 5334 1 19 . 1 1 48 48 THR CB C 48 69.457 69.457 69.451 0.006 19879 5335 1 19 . 1 1 48 48 THR H H 48 7.459 7.459 7.593 -0.134 19879 5336 1 19 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.221 0.115 19879 5337 1 19 . 1 1 49 49 PRO CA C 49 64.167 64.167 64.802 -0.635 19879 5338 1 19 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.918 -0.670 19879 5339 1 19 . 1 1 50 50 GLU N N 50 117.217 117.217 118.829 -1.612 19879 5340 1 19 . 1 1 50 50 GLU HA H 50 3.818 3.818 4.015 -0.197 19879 5341 1 19 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.640 0.466 19879 5342 1 19 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.875 -0.771 19879 5343 1 19 . 1 1 50 50 GLU H H 50 9.036 9.036 8.834 0.202 19879 5344 1 19 . 1 1 51 51 GLU N N 51 117.482 117.482 119.504 -2.022 19879 5345 1 19 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.118 -0.207 19879 5346 1 19 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.107 -0.500 19879 5347 1 19 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.408 1.196 19879 5348 1 19 . 1 1 51 51 GLU H H 51 7.561 7.561 8.478 -0.917 19879 5349 1 19 . 1 1 52 52 GLN N N 52 118.967 118.967 119.103 -0.136 19879 5350 1 19 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.970 -0.181 19879 5351 1 19 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.139 -0.169 19879 5352 1 19 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.625 -1.103 19879 5353 1 19 . 1 1 52 52 GLN H H 52 8.125 8.125 7.770 0.355 19879 5354 1 19 . 1 1 53 53 ALA N N 53 119.946 119.946 120.972 -1.026 19879 5355 1 19 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.996 -0.249 19879 5356 1 19 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.032 -0.273 19879 5357 1 19 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.173 0.181 19879 5358 1 19 . 1 1 53 53 ALA H H 53 8.698 8.698 7.696 1.002 19879 5359 1 19 . 1 1 54 54 LYS N N 54 115.558 115.558 118.052 -2.494 19879 5360 1 19 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.995 -0.303 19879 5361 1 19 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.397 -0.261 19879 5362 1 19 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.318 -0.525 19879 5363 1 19 . 1 1 54 54 LYS H H 54 7.647 7.647 7.602 0.045 19879 5364 1 19 . 1 1 55 55 LYS N N 55 119.514 119.514 118.735 0.779 19879 5365 1 19 . 1 1 55 55 LYS HA H 55 3.852 3.852 4.208 -0.356 19879 5366 1 19 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.477 -2.108 19879 5367 1 19 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.191 -2.090 19879 5368 1 19 . 1 1 55 55 LYS H H 55 7.593 7.593 8.051 -0.458 19879 5369 1 19 . 1 1 56 56 LEU N N 56 118.162 118.162 121.494 -3.332 19879 5370 1 19 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.021 -0.186 19879 5371 1 19 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.143 -0.262 19879 5372 1 19 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.107 -1.045 19879 5373 1 19 . 1 1 56 56 LEU H H 56 8.035 8.035 7.459 0.576 19879 5374 1 19 . 1 1 57 57 ILE N N 57 116.360 116.360 118.444 -2.084 19879 5375 1 19 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.605 -0.073 19879 5376 1 19 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.577 -2.970 19879 5377 1 19 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.691 -2.499 19879 5378 1 19 . 1 1 57 57 ILE H H 57 7.769 7.769 7.639 0.130 19879 5379 1 19 . 1 1 58 58 ASP N N 58 121.683 121.683 120.032 1.651 19879 5380 1 19 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.495 -0.260 19879 5381 1 19 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.686 -0.606 19879 5382 1 19 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.789 -0.792 19879 5383 1 19 . 1 1 58 58 ASP H H 58 7.859 7.859 7.824 0.035 19879 5384 1 19 . 1 1 59 59 PHE N N 59 115.587 115.587 118.390 -2.803 19879 5385 1 19 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.298 0.152 19879 5386 1 19 . 1 1 59 59 PHE CA C 59 57.353 57.353 61.676 -4.324 19879 5387 1 19 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.827 -3.077 19879 5388 1 19 . 1 1 59 59 PHE H H 59 7.968 7.968 7.776 0.192 19879 5389 1 19 . 1 1 60 60 ILE N N 60 117.997 117.997 115.215 2.782 19879 5390 1 19 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.068 -0.284 19879 5391 1 19 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.026 0.799 19879 5392 1 19 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.115 -0.178 19879 5393 1 19 . 1 1 60 60 ILE H H 60 7.787 7.787 7.648 0.139 19879 5394 1 19 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.237 -0.104 19879 5395 1 19 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.698 -0.237 19879 5396 1 19 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.095 -2.106 19879 5397 1 20 . 1 1 2 2 THR N N 2 116.344 116.344 113.636 2.708 19879 5398 1 20 . 1 1 2 2 THR HA H 2 4.607 4.607 4.837 -0.230 19879 5399 1 20 . 1 1 2 2 THR CA C 2 59.469 59.469 59.241 0.228 19879 5400 1 20 . 1 1 2 2 THR CB C 2 67.629 67.629 70.734 -3.105 19879 5401 1 20 . 1 1 2 2 THR H H 2 8.950 8.950 8.068 0.882 19879 5402 1 20 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.328 -0.153 19879 5403 1 20 . 1 1 3 3 PRO CA C 3 65.183 65.183 65.062 0.121 19879 5404 1 20 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.143 -1.177 19879 5405 1 20 . 1 1 4 4 GLU N N 4 116.437 116.437 117.014 -0.577 19879 5406 1 20 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.251 -0.235 19879 5407 1 20 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.924 -0.098 19879 5408 1 20 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.422 -1.158 19879 5409 1 20 . 1 1 4 4 GLU H H 4 8.943 8.943 8.810 0.133 19879 5410 1 20 . 1 1 5 5 GLN N N 5 120.183 120.183 118.119 2.064 19879 5411 1 20 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.260 -0.516 19879 5412 1 20 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.664 0.435 19879 5413 1 20 . 1 1 5 5 GLN CB C 5 27.841 27.841 29.041 -1.200 19879 5414 1 20 . 1 1 5 5 GLN H H 5 7.708 7.708 7.724 -0.016 19879 5415 1 20 . 1 1 6 6 ARG N N 6 119.108 119.108 118.353 0.755 19879 5416 1 20 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.151 -0.061 19879 5417 1 20 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.628 0.331 19879 5418 1 20 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.284 -1.105 19879 5419 1 20 . 1 1 6 6 ARG H H 6 8.391 8.391 8.039 0.352 19879 5420 1 20 . 1 1 7 7 GLU N N 7 116.726 116.726 118.067 -1.341 19879 5421 1 20 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.203 -0.108 19879 5422 1 20 . 1 1 7 7 GLU CA C 7 57.354 57.354 58.424 -1.070 19879 5423 1 20 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.596 -1.455 19879 5424 1 20 . 1 1 7 7 GLU H H 7 8.000 8.000 7.784 0.216 19879 5425 1 20 . 1 1 8 8 PHE N N 8 119.217 119.217 117.450 1.767 19879 5426 1 20 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.483 0.177 19879 5427 1 20 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.793 -1.738 19879 5428 1 20 . 1 1 8 8 PHE CB C 8 40.736 40.736 39.421 1.315 19879 5429 1 20 . 1 1 8 8 PHE H H 8 7.706 7.706 8.100 -0.394 19879 5430 1 20 . 1 1 9 9 LEU N N 9 119.532 119.532 121.828 -2.296 19879 5431 1 20 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.266 -0.274 19879 5432 1 20 . 1 1 9 9 LEU CA C 9 58.626 58.626 59.097 -0.471 19879 5433 1 20 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.241 -0.947 19879 5434 1 20 . 1 1 9 9 LEU H H 9 7.840 7.840 7.461 0.379 19879 5435 1 20 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.325 -0.220 19879 5436 1 20 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.133 0.549 19879 5437 1 20 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.213 -0.724 19879 5438 1 20 . 1 1 11 11 GLU N N 11 116.603 116.603 117.330 -0.727 19879 5439 1 20 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.181 -0.202 19879 5440 1 20 . 1 1 11 11 GLU CA C 11 58.338 58.338 59.005 -0.667 19879 5441 1 20 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.699 -1.335 19879 5442 1 20 . 1 1 11 11 GLU H H 11 8.019 8.019 8.476 -0.457 19879 5443 1 20 . 1 1 12 12 ILE N N 12 120.060 120.060 116.990 3.070 19879 5444 1 20 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.077 -0.755 19879 5445 1 20 . 1 1 12 12 ILE CA C 12 64.525 64.525 62.783 1.742 19879 5446 1 20 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.694 -0.576 19879 5447 1 20 . 1 1 12 12 ILE H H 12 7.398 7.398 7.296 0.102 19879 5448 1 20 . 1 1 13 13 LEU N N 13 117.822 117.822 120.853 -3.031 19879 5449 1 20 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.812 -0.111 19879 5450 1 20 . 1 1 13 13 LEU CA C 13 57.359 57.359 57.980 -0.621 19879 5451 1 20 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.869 -1.337 19879 5452 1 20 . 1 1 13 13 LEU H H 13 7.492 7.492 7.537 -0.045 19879 5453 1 20 . 1 1 14 14 ALA N N 14 118.447 118.447 119.303 -0.856 19879 5454 1 20 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.984 -0.033 19879 5455 1 20 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.964 -0.799 19879 5456 1 20 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.119 -0.882 19879 5457 1 20 . 1 1 14 14 ALA H H 14 8.038 8.038 7.924 0.114 19879 5458 1 20 . 1 1 15 15 GLU N N 15 117.320 117.320 116.628 0.692 19879 5459 1 20 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.190 -0.098 19879 5460 1 20 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.037 -0.545 19879 5461 1 20 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.729 -1.282 19879 5462 1 20 . 1 1 15 15 GLU H H 15 7.085 7.085 7.773 -0.688 19879 5463 1 20 . 1 1 16 16 ILE N N 16 116.223 116.223 118.392 -2.169 19879 5464 1 20 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.045 -0.437 19879 5465 1 20 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.839 1.181 19879 5466 1 20 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.952 -1.230 19879 5467 1 20 . 1 1 16 16 ILE H H 16 7.331 7.331 7.329 0.002 19879 5468 1 20 . 1 1 17 17 ILE N N 17 116.602 116.602 119.736 -3.134 19879 5469 1 20 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.787 -0.139 19879 5470 1 20 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.697 -1.418 19879 5471 1 20 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.968 -0.508 19879 5472 1 20 . 1 1 17 17 ILE H H 17 8.214 8.214 7.484 0.730 19879 5473 1 20 . 1 1 18 18 ALA N N 18 119.329 119.329 120.567 -1.238 19879 5474 1 20 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.338 -0.158 19879 5475 1 20 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.440 0.297 19879 5476 1 20 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.196 -0.622 19879 5477 1 20 . 1 1 18 18 ALA H H 18 8.056 8.056 7.860 0.196 19879 5478 1 20 . 1 1 19 19 ASN N N 19 110.910 110.910 115.789 -4.879 19879 5479 1 20 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.871 0.151 19879 5480 1 20 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.910 0.680 19879 5481 1 20 . 1 1 19 19 ASN CB C 19 41.094 41.094 39.958 1.136 19879 5482 1 20 . 1 1 19 19 ASN H H 19 7.295 7.295 7.784 -0.489 19879 5483 1 20 . 1 1 20 20 LEU N N 20 119.881 119.881 120.883 -1.002 19879 5484 1 20 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.566 0.157 19879 5485 1 20 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.741 -1.254 19879 5486 1 20 . 1 1 20 20 LEU CB C 20 43.809 43.809 45.017 -1.208 19879 5487 1 20 . 1 1 20 20 LEU H H 20 8.134 8.134 7.332 0.802 19879 5488 1 20 . 1 1 21 21 ASP N N 21 119.289 119.289 124.086 -4.797 19879 5489 1 20 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.055 0.060 19879 5490 1 20 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.872 -2.299 19879 5491 1 20 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.358 -1.106 19879 5492 1 20 . 1 1 21 21 ASP H H 21 8.081 8.081 8.364 -0.283 19879 5493 1 20 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.216 -0.280 19879 5494 1 20 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.915 -0.564 19879 5495 1 20 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.751 -0.224 19879 5496 1 20 . 1 1 23 23 THR N N 23 109.956 109.956 110.435 -0.479 19879 5497 1 20 . 1 1 23 23 THR HA H 23 3.770 3.770 4.155 -0.385 19879 5498 1 20 . 1 1 23 23 THR CA C 23 65.649 65.649 65.785 -0.136 19879 5499 1 20 . 1 1 23 23 THR CB C 23 67.525 67.525 68.254 -0.729 19879 5500 1 20 . 1 1 23 23 THR H H 23 8.130 8.130 8.277 -0.147 19879 5501 1 20 . 1 1 24 24 LYS N N 24 121.423 121.423 121.679 -0.256 19879 5502 1 20 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.239 -0.075 19879 5503 1 20 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.716 -0.933 19879 5504 1 20 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.652 -1.223 19879 5505 1 20 . 1 1 24 24 LYS H H 24 7.410 7.410 7.664 -0.254 19879 5506 1 20 . 1 1 25 25 ILE N N 25 118.727 118.727 114.521 4.206 19879 5507 1 20 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.812 -0.364 19879 5508 1 20 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.410 0.529 19879 5509 1 20 . 1 1 25 25 ILE CB C 25 37.148 37.148 38.052 -0.904 19879 5510 1 20 . 1 1 25 25 ILE H H 25 7.255 7.255 7.374 -0.119 19879 5511 1 20 . 1 1 26 26 LEU N N 26 117.967 117.967 121.797 -3.830 19879 5512 1 20 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.876 -0.143 19879 5513 1 20 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.655 -1.071 19879 5514 1 20 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.779 -0.909 19879 5515 1 20 . 1 1 26 26 LEU H H 26 7.893 7.893 7.644 0.249 19879 5516 1 20 . 1 1 27 27 GLU N N 27 117.202 117.202 118.345 -1.143 19879 5517 1 20 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.952 -0.156 19879 5518 1 20 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.798 -0.817 19879 5519 1 20 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.206 -0.432 19879 5520 1 20 . 1 1 27 27 GLU H H 27 7.851 7.851 7.765 0.086 19879 5521 1 20 . 1 1 28 28 GLU N N 28 119.243 119.243 118.170 1.073 19879 5522 1 20 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.145 -0.018 19879 5523 1 20 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.529 -1.312 19879 5524 1 20 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.246 -1.047 19879 5525 1 20 . 1 1 28 28 GLU H H 28 7.597 7.597 7.766 -0.169 19879 5526 1 20 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.113 -0.238 19879 5527 1 20 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.708 -0.265 19879 5528 1 20 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.135 -1.324 19879 5529 1 20 . 1 1 30 30 LEU N N 30 121.505 121.505 118.937 2.568 19879 5530 1 20 . 1 1 30 30 LEU HA H 30 4.115 4.115 3.985 0.130 19879 5531 1 20 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.388 0.471 19879 5532 1 20 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.586 -0.320 19879 5533 1 20 . 1 1 30 30 LEU H H 30 8.508 8.508 7.696 0.812 19879 5534 1 20 . 1 1 31 31 ARG N N 31 120.484 120.484 118.474 2.010 19879 5535 1 20 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.104 -0.055 19879 5536 1 20 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.559 -0.090 19879 5537 1 20 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.181 -0.808 19879 5538 1 20 . 1 1 31 31 ARG H H 31 8.274 8.274 7.469 0.805 19879 5539 1 20 . 1 1 32 32 ARG N N 32 114.502 114.502 117.650 -3.148 19879 5540 1 20 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.378 0.075 19879 5541 1 20 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.099 -2.437 19879 5542 1 20 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.203 -0.703 19879 5543 1 20 . 1 1 32 32 ARG H H 32 7.291 7.291 7.815 -0.524 19879 5544 1 20 . 1 1 33 33 GLY N N 33 108.310 108.310 107.660 0.650 19879 5545 1 20 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.373 0.218 19879 5546 1 20 . 1 1 33 33 GLY H H 33 8.134 8.134 7.535 0.599 19879 5547 1 20 . 1 1 34 34 LEU N N 34 117.715 117.715 119.518 -1.803 19879 5548 1 20 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.500 -0.095 19879 5549 1 20 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.263 -1.935 19879 5550 1 20 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.109 -1.579 19879 5551 1 20 . 1 1 34 34 LEU H H 34 8.121 8.121 7.719 0.402 19879 5552 1 20 . 1 1 35 35 LEU N N 35 119.920 119.920 118.369 1.551 19879 5553 1 20 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.567 -0.002 19879 5554 1 20 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.832 -1.009 19879 5555 1 20 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.640 2.086 19879 5556 1 20 . 1 1 35 35 LEU H H 35 7.219 7.219 7.413 -0.194 19879 5557 1 20 . 1 1 36 36 THR N N 36 115.405 115.405 114.111 1.294 19879 5558 1 20 . 1 1 36 36 THR HA H 36 4.743 4.743 4.844 -0.101 19879 5559 1 20 . 1 1 36 36 THR CA C 36 59.034 59.034 57.998 1.036 19879 5560 1 20 . 1 1 36 36 THR CB C 36 68.143 68.143 69.584 -1.441 19879 5561 1 20 . 1 1 36 36 THR H H 36 8.948 8.948 8.081 0.867 19879 5562 1 20 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.322 -0.235 19879 5563 1 20 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.048 0.059 19879 5564 1 20 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.335 -0.498 19879 5565 1 20 . 1 1 38 38 ALA N N 38 119.090 119.090 119.919 -0.829 19879 5566 1 20 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.195 -0.095 19879 5567 1 20 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.842 -0.555 19879 5568 1 20 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.397 -0.708 19879 5569 1 20 . 1 1 38 38 ALA H H 38 7.975 7.975 8.343 -0.368 19879 5570 1 20 . 1 1 39 39 GLU N N 39 120.475 120.475 118.897 1.578 19879 5571 1 20 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.101 -0.316 19879 5572 1 20 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.553 -0.269 19879 5573 1 20 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.389 -0.133 19879 5574 1 20 . 1 1 39 39 GLU H H 39 7.592 7.592 7.574 0.018 19879 5575 1 20 . 1 1 40 40 LEU N N 40 118.126 118.126 121.456 -3.330 19879 5576 1 20 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.923 -0.096 19879 5577 1 20 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.212 -0.193 19879 5578 1 20 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.127 -1.183 19879 5579 1 20 . 1 1 40 40 LEU H H 40 7.878 7.878 7.937 -0.059 19879 5580 1 20 . 1 1 41 41 GLN N N 41 116.956 116.956 115.941 1.015 19879 5581 1 20 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.946 -0.235 19879 5582 1 20 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.584 -1.024 19879 5583 1 20 . 1 1 41 41 GLN CB C 41 27.534 27.534 27.990 -0.456 19879 5584 1 20 . 1 1 41 41 GLN H H 41 7.957 7.957 8.153 -0.196 19879 5585 1 20 . 1 1 42 42 GLU N N 42 117.014 117.014 120.176 -3.162 19879 5586 1 20 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.171 -0.136 19879 5587 1 20 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.258 -0.393 19879 5588 1 20 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.806 -0.707 19879 5589 1 20 . 1 1 42 42 GLU H H 42 7.676 7.676 7.541 0.135 19879 5590 1 20 . 1 1 43 43 VAL N N 43 116.546 116.546 119.449 -2.903 19879 5591 1 20 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.966 -0.298 19879 5592 1 20 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.237 1.357 19879 5593 1 20 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.627 -1.008 19879 5594 1 20 . 1 1 43 43 VAL H H 43 7.566 7.566 7.553 0.013 19879 5595 1 20 . 1 1 44 44 LEU N N 44 118.168 118.168 118.127 0.041 19879 5596 1 20 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.292 -0.347 19879 5597 1 20 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.701 -0.337 19879 5598 1 20 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.371 -1.823 19879 5599 1 20 . 1 1 44 44 LEU H H 44 8.199 8.199 8.293 -0.094 19879 5600 1 20 . 1 1 45 45 ASP N N 45 116.834 116.834 118.406 -1.572 19879 5601 1 20 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.513 -0.035 19879 5602 1 20 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.635 -1.901 19879 5603 1 20 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.698 -1.142 19879 5604 1 20 . 1 1 45 45 ASP H H 45 7.776 7.776 7.569 0.207 19879 5605 1 20 . 1 1 46 46 LEU N N 46 121.360 121.360 117.669 3.691 19879 5606 1 20 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.389 0.053 19879 5607 1 20 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.278 -1.219 19879 5608 1 20 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.410 -1.263 19879 5609 1 20 . 1 1 46 46 LEU H H 46 7.548 7.548 7.400 0.148 19879 5610 1 20 . 1 1 47 47 LYS N N 47 116.693 116.693 120.364 -3.671 19879 5611 1 20 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.425 -0.248 19879 5612 1 20 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.858 1.601 19879 5613 1 20 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.578 0.207 19879 5614 1 20 . 1 1 47 47 LYS H H 47 8.586 8.586 8.507 0.079 19879 5615 1 20 . 1 1 48 48 THR N N 48 107.567 107.567 114.360 -6.793 19879 5616 1 20 . 1 1 48 48 THR HA H 48 5.013 5.013 4.741 0.272 19879 5617 1 20 . 1 1 48 48 THR CA C 48 57.421 57.421 58.331 -0.910 19879 5618 1 20 . 1 1 48 48 THR CB C 48 69.457 69.457 69.266 0.191 19879 5619 1 20 . 1 1 48 48 THR H H 48 7.459 7.459 7.623 -0.164 19879 5620 1 20 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.263 0.073 19879 5621 1 20 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.190 -1.023 19879 5622 1 20 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.911 -0.663 19879 5623 1 20 . 1 1 50 50 GLU N N 50 117.217 117.217 118.548 -1.331 19879 5624 1 20 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.977 -0.159 19879 5625 1 20 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.635 0.471 19879 5626 1 20 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.846 -0.742 19879 5627 1 20 . 1 1 50 50 GLU H H 50 9.036 9.036 8.841 0.196 19879 5628 1 20 . 1 1 51 51 GLU N N 51 117.482 117.482 119.432 -1.950 19879 5629 1 20 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.074 -0.163 19879 5630 1 20 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.075 -0.468 19879 5631 1 20 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.387 1.217 19879 5632 1 20 . 1 1 51 51 GLU H H 51 7.561 7.561 8.452 -0.891 19879 5633 1 20 . 1 1 52 52 GLN N N 52 118.967 118.967 119.073 -0.106 19879 5634 1 20 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.975 -0.186 19879 5635 1 20 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.090 -0.120 19879 5636 1 20 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.636 -1.113 19879 5637 1 20 . 1 1 52 52 GLN H H 52 8.125 8.125 7.794 0.331 19879 5638 1 20 . 1 1 53 53 ALA N N 53 119.946 119.946 121.301 -1.355 19879 5639 1 20 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.989 -0.242 19879 5640 1 20 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.098 -0.339 19879 5641 1 20 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.275 0.079 19879 5642 1 20 . 1 1 53 53 ALA H H 53 8.698 8.698 7.697 1.001 19879 5643 1 20 . 1 1 54 54 LYS N N 54 115.558 115.558 117.765 -2.207 19879 5644 1 20 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.977 -0.285 19879 5645 1 20 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.160 -0.024 19879 5646 1 20 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.270 -0.478 19879 5647 1 20 . 1 1 54 54 LYS H H 54 7.647 7.647 7.575 0.072 19879 5648 1 20 . 1 1 55 55 LYS N N 55 119.514 119.514 119.821 -0.307 19879 5649 1 20 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.844 0.008 19879 5650 1 20 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.835 -2.466 19879 5651 1 20 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.011 -1.910 19879 5652 1 20 . 1 1 55 55 LYS H H 55 7.593 7.593 7.747 -0.154 19879 5653 1 20 . 1 1 56 56 LEU N N 56 118.162 118.162 120.605 -2.443 19879 5654 1 20 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.155 -0.320 19879 5655 1 20 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.523 -0.642 19879 5656 1 20 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.198 -1.136 19879 5657 1 20 . 1 1 56 56 LEU H H 56 8.035 8.035 7.444 0.591 19879 5658 1 20 . 1 1 57 57 ILE N N 57 116.360 116.360 115.516 0.844 19879 5659 1 20 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.620 -0.088 19879 5660 1 20 . 1 1 57 57 ILE CA C 57 62.607 62.607 64.896 -2.289 19879 5661 1 20 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.250 -2.058 19879 5662 1 20 . 1 1 57 57 ILE H H 57 7.769 7.769 7.559 0.210 19879 5663 1 20 . 1 1 58 58 ASP N N 58 121.683 121.683 120.054 1.629 19879 5664 1 20 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.414 -0.178 19879 5665 1 20 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.330 -0.250 19879 5666 1 20 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.713 -0.716 19879 5667 1 20 . 1 1 58 58 ASP H H 58 7.859 7.859 7.760 0.099 19879 5668 1 20 . 1 1 59 59 PHE N N 59 115.587 115.587 116.624 -1.037 19879 5669 1 20 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.496 -0.046 19879 5670 1 20 . 1 1 59 59 PHE CA C 59 57.353 57.353 59.258 -1.905 19879 5671 1 20 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.896 -3.146 19879 5672 1 20 . 1 1 59 59 PHE H H 59 7.968 7.968 7.555 0.413 19879 5673 1 20 . 1 1 60 60 ILE N N 60 117.997 117.997 114.772 3.225 19879 5674 1 20 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.215 -0.431 19879 5675 1 20 . 1 1 60 60 ILE CA C 60 63.825 63.825 62.765 1.060 19879 5676 1 20 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.272 -0.335 19879 5677 1 20 . 1 1 60 60 ILE H H 60 7.787 7.787 7.451 0.336 19879 5678 1 20 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.263 -0.130 19879 5679 1 20 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.728 -0.267 19879 5680 1 20 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.238 -2.249 19879 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 53 2.413 0.724 2.324 19879 2 1 1 "Average Difference" HA 61 0.245 0.138 0.204 19879 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19879 4 1 1 "Average Difference" CA 60 1.156 0.479 1.061 19879 5 1 1 "Average Difference" CB 59 1.175 0.804 0.864 19879 6 1 1 "Average Difference" HN 53 0.430 -0.071 0.428 19879 7 1 2 "Average Difference" N 53 2.386 0.783 2.276 19879 8 1 2 "Average Difference" HA 61 0.242 0.139 0.200 19879 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19879 10 1 2 "Average Difference" CA 60 1.165 0.521 1.051 19879 11 1 2 "Average Difference" CB 59 1.208 0.838 0.877 19879 12 1 2 "Average Difference" HN 53 0.389 -0.096 0.381 19879 13 1 3 "Average Difference" N 53 2.351 0.804 2.230 19879 14 1 3 "Average Difference" HA 61 0.243 0.136 0.204 19879 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19879 16 1 3 "Average Difference" CA 60 1.165 0.511 1.055 19879 17 1 3 "Average Difference" CB 59 1.294 0.872 0.964 19879 18 1 3 "Average Difference" HN 53 0.430 -0.094 0.423 19879 19 1 4 "Average Difference" N 53 2.357 0.803 2.237 19879 20 1 4 "Average Difference" HA 61 0.247 0.130 0.212 19879 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19879 22 1 4 "Average Difference" CA 60 1.107 0.465 1.013 19879 23 1 4 "Average Difference" CB 59 1.180 0.823 0.853 19879 24 1 4 "Average Difference" HN 53 0.424 -0.106 0.415 19879 25 1 5 "Average Difference" N 53 2.319 0.852 2.178 19879 26 1 5 "Average Difference" HA 61 0.242 0.123 0.211 19879 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19879 28 1 5 "Average Difference" CA 60 1.087 0.493 0.977 19879 29 1 5 "Average Difference" CB 59 1.250 0.866 0.910 19879 30 1 5 "Average Difference" HN 53 0.438 -0.098 0.431 19879 31 1 6 "Average Difference" N 53 2.438 0.753 2.341 19879 32 1 6 "Average Difference" HA 61 0.239 0.118 0.210 19879 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19879 34 1 6 "Average Difference" CA 60 1.131 0.540 1.002 19879 35 1 6 "Average Difference" CB 59 1.174 0.788 0.878 19879 36 1 6 "Average Difference" HN 53 0.402 -0.059 0.401 19879 37 1 7 "Average Difference" N 53 2.361 0.754 2.259 19879 38 1 7 "Average Difference" HA 61 0.251 0.137 0.212 19879 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19879 40 1 7 "Average Difference" CA 60 1.067 0.447 0.977 19879 41 1 7 "Average Difference" CB 59 1.163 0.795 0.856 19879 42 1 7 "Average Difference" HN 53 0.417 -0.114 0.405 19879 43 1 8 "Average Difference" N 53 2.343 0.739 2.245 19879 44 1 8 "Average Difference" HA 61 0.258 0.150 0.211 19879 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19879 46 1 8 "Average Difference" CA 60 1.180 0.458 1.097 19879 47 1 8 "Average Difference" CB 59 1.242 0.843 0.921 19879 48 1 8 "Average Difference" HN 53 0.416 -0.106 0.406 19879 49 1 9 "Average Difference" N 53 2.317 0.751 2.213 19879 50 1 9 "Average Difference" HA 61 0.249 0.141 0.207 19879 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19879 52 1 9 "Average Difference" CA 60 1.146 0.472 1.053 19879 53 1 9 "Average Difference" CB 59 1.217 0.814 0.912 19879 54 1 9 "Average Difference" HN 53 0.431 -0.115 0.419 19879 55 1 10 "Average Difference" N 53 2.331 0.741 2.231 19879 56 1 10 "Average Difference" HA 61 0.262 0.134 0.227 19879 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19879 58 1 10 "Average Difference" CA 60 1.106 0.451 1.019 19879 59 1 10 "Average Difference" CB 59 1.236 0.837 0.917 19879 60 1 10 "Average Difference" HN 53 0.403 -0.084 0.398 19879 61 1 11 "Average Difference" N 53 2.383 0.758 2.281 19879 62 1 11 "Average Difference" HA 61 0.232 0.124 0.198 19879 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19879 64 1 11 "Average Difference" CA 60 1.098 0.462 1.004 19879 65 1 11 "Average Difference" CB 59 1.134 0.808 0.802 19879 66 1 11 "Average Difference" HN 53 0.416 -0.073 0.413 19879 67 1 12 "Average Difference" N 53 2.382 0.753 2.281 19879 68 1 12 "Average Difference" HA 61 0.254 0.110 0.231 19879 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19879 70 1 12 "Average Difference" CA 60 1.119 0.468 1.025 19879 71 1 12 "Average Difference" CB 59 1.173 0.756 0.905 19879 72 1 12 "Average Difference" HN 53 0.423 -0.100 0.415 19879 73 1 13 "Average Difference" N 53 2.421 0.709 2.337 19879 74 1 13 "Average Difference" HA 61 0.245 0.136 0.206 19879 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19879 76 1 13 "Average Difference" CA 60 1.088 0.412 1.015 19879 77 1 13 "Average Difference" CB 59 1.175 0.808 0.861 19879 78 1 13 "Average Difference" HN 53 0.389 -0.088 0.382 19879 79 1 14 "Average Difference" N 53 2.389 0.837 2.259 19879 80 1 14 "Average Difference" HA 61 0.266 0.112 0.243 19879 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19879 82 1 14 "Average Difference" CA 60 1.160 0.586 1.009 19879 83 1 14 "Average Difference" CB 59 1.187 0.805 0.879 19879 84 1 14 "Average Difference" HN 53 0.410 -0.098 0.402 19879 85 1 15 "Average Difference" N 53 2.282 0.802 2.157 19879 86 1 15 "Average Difference" HA 61 0.247 0.121 0.218 19879 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19879 88 1 15 "Average Difference" CA 60 1.053 0.471 0.950 19879 89 1 15 "Average Difference" CB 59 1.158 0.803 0.841 19879 90 1 15 "Average Difference" HN 53 0.395 -0.087 0.389 19879 91 1 16 "Average Difference" N 53 2.222 0.673 2.137 19879 92 1 16 "Average Difference" HA 61 0.228 0.114 0.199 19879 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19879 94 1 16 "Average Difference" CA 60 1.132 0.493 1.027 19879 95 1 16 "Average Difference" CB 59 1.201 0.796 0.908 19879 96 1 16 "Average Difference" HN 53 0.408 -0.111 0.396 19879 97 1 17 "Average Difference" N 53 2.380 0.689 2.300 19879 98 1 17 "Average Difference" HA 61 0.226 0.117 0.195 19879 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19879 100 1 17 "Average Difference" CA 60 1.045 0.426 0.962 19879 101 1 17 "Average Difference" CB 59 1.166 0.820 0.836 19879 102 1 17 "Average Difference" HN 53 0.423 -0.151 0.399 19879 103 1 18 "Average Difference" N 53 2.318 0.691 2.234 19879 104 1 18 "Average Difference" HA 61 0.249 0.131 0.214 19879 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19879 106 1 18 "Average Difference" CA 60 1.075 0.423 0.996 19879 107 1 18 "Average Difference" CB 59 1.244 0.864 0.903 19879 108 1 18 "Average Difference" HN 53 0.431 -0.125 0.416 19879 109 1 19 "Average Difference" N 53 2.395 0.876 2.250 19879 110 1 19 "Average Difference" HA 61 0.247 0.148 0.200 19879 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19879 112 1 19 "Average Difference" CA 60 1.134 0.454 1.048 19879 113 1 19 "Average Difference" CB 59 1.203 0.839 0.869 19879 114 1 19 "Average Difference" HN 53 0.431 -0.043 0.433 19879 115 1 20 "Average Difference" N 53 2.430 0.628 2.370 19879 116 1 20 "Average Difference" HA 61 0.240 0.130 0.204 19879 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19879 118 1 20 "Average Difference" CA 60 1.066 0.430 0.983 19879 119 1 20 "Average Difference" CB 59 1.225 0.845 0.895 19879 120 1 20 "Average Difference" HN 53 0.425 -0.111 0.414 19879 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 19879 _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 THR N N 2 116.344 116.344 115.132 1.212 19879 2 1 . 1 1 2 2 THR HA H 2 4.607 4.607 4.828 -0.221 19879 3 1 . 1 1 2 2 THR CA C 2 59.469 59.469 59.431 0.038 19879 4 1 . 1 1 2 2 THR CB C 2 67.629 67.629 70.092 -2.463 19879 5 1 . 1 1 2 2 THR H H 2 8.950 8.950 8.033 0.917 19879 6 1 . 1 1 3 3 PRO HA H 3 4.175 4.175 4.305 -0.130 19879 7 1 . 1 1 3 3 PRO CA C 3 65.183 65.183 64.932 0.251 19879 8 1 . 1 1 3 3 PRO CB C 3 30.966 30.966 32.074 -1.108 19879 9 1 . 1 1 4 4 GLU N N 4 116.437 116.437 117.075 -0.638 19879 10 1 . 1 1 4 4 GLU HA H 4 4.016 4.016 4.225 -0.210 19879 11 1 . 1 1 4 4 GLU CA C 4 59.826 59.826 59.433 0.393 19879 12 1 . 1 1 4 4 GLU CB C 4 28.264 28.264 29.288 -1.024 19879 13 1 . 1 1 4 4 GLU H H 4 8.943 8.943 8.711 0.232 19879 14 1 . 1 1 5 5 GLN N N 5 120.183 120.183 118.188 1.995 19879 15 1 . 1 1 5 5 GLN HA H 5 3.744 3.744 4.314 -0.570 19879 16 1 . 1 1 5 5 GLN CA C 5 59.099 59.099 58.661 0.438 19879 17 1 . 1 1 5 5 GLN CB C 5 27.841 27.841 28.972 -1.131 19879 18 1 . 1 1 5 5 GLN H H 5 7.708 7.708 7.936 -0.228 19879 19 1 . 1 1 6 6 ARG N N 6 119.108 119.108 118.323 0.785 19879 20 1 . 1 1 6 6 ARG HA H 6 4.090 4.090 4.185 -0.095 19879 21 1 . 1 1 6 6 ARG CA C 6 58.959 58.959 58.448 0.511 19879 22 1 . 1 1 6 6 ARG CB C 6 29.179 29.179 30.206 -1.027 19879 23 1 . 1 1 6 6 ARG H H 6 8.391 8.391 7.939 0.452 19879 24 1 . 1 1 7 7 GLU N N 7 116.726 116.726 117.470 -0.744 19879 25 1 . 1 1 7 7 GLU HA H 7 4.095 4.095 4.202 -0.107 19879 26 1 . 1 1 7 7 GLU CA C 7 57.354 57.354 57.944 -0.590 19879 27 1 . 1 1 7 7 GLU CB C 7 29.141 29.141 30.265 -1.124 19879 28 1 . 1 1 7 7 GLU H H 7 8.000 8.000 7.805 0.195 19879 29 1 . 1 1 8 8 PHE N N 8 119.217 119.217 117.060 2.157 19879 30 1 . 1 1 8 8 PHE HA H 8 4.660 4.660 4.631 0.029 19879 31 1 . 1 1 8 8 PHE CA C 8 58.055 58.055 59.678 -1.622 19879 32 1 . 1 1 8 8 PHE CB C 8 40.736 40.736 40.483 0.253 19879 33 1 . 1 1 8 8 PHE H H 8 7.706 7.706 7.691 0.015 19879 34 1 . 1 1 9 9 LEU N N 9 119.532 119.532 121.764 -2.232 19879 35 1 . 1 1 9 9 LEU HA H 9 3.992 3.992 4.212 -0.220 19879 36 1 . 1 1 9 9 LEU CA C 9 58.626 58.626 60.081 -1.455 19879 37 1 . 1 1 9 9 LEU CB C 9 39.294 39.294 40.039 -0.745 19879 38 1 . 1 1 9 9 LEU H H 9 7.840 7.840 7.908 -0.068 19879 39 1 . 1 1 10 10 PRO HA H 10 4.105 4.105 4.297 -0.192 19879 40 1 . 1 1 10 10 PRO CA C 10 65.682 65.682 65.032 0.650 19879 41 1 . 1 1 10 10 PRO CB C 10 30.489 30.489 31.077 -0.588 19879 42 1 . 1 1 11 11 GLU N N 11 116.603 116.603 117.115 -0.512 19879 43 1 . 1 1 11 11 GLU HA H 11 3.979 3.979 4.226 -0.247 19879 44 1 . 1 1 11 11 GLU CA C 11 58.338 58.338 58.634 -0.296 19879 45 1 . 1 1 11 11 GLU CB C 11 28.364 28.364 29.963 -1.599 19879 46 1 . 1 1 11 11 GLU H H 11 8.019 8.019 8.145 -0.126 19879 47 1 . 1 1 12 12 ILE N N 12 120.060 120.060 117.490 2.570 19879 48 1 . 1 1 12 12 ILE HA H 12 3.322 3.322 4.015 -0.693 19879 49 1 . 1 1 12 12 ILE CA C 12 64.525 64.525 63.337 1.188 19879 50 1 . 1 1 12 12 ILE CB C 12 37.118 37.118 37.658 -0.540 19879 51 1 . 1 1 12 12 ILE H H 12 7.398 7.398 7.365 0.033 19879 52 1 . 1 1 13 13 LEU N N 13 117.822 117.822 120.589 -2.767 19879 53 1 . 1 1 13 13 LEU HA H 13 3.701 3.701 3.880 -0.179 19879 54 1 . 1 1 13 13 LEU CA C 13 57.359 57.359 58.131 -0.772 19879 55 1 . 1 1 13 13 LEU CB C 13 40.532 40.532 41.420 -0.888 19879 56 1 . 1 1 13 13 LEU H H 13 7.492 7.492 7.702 -0.210 19879 57 1 . 1 1 14 14 ALA N N 14 118.447 118.447 119.884 -1.437 19879 58 1 . 1 1 14 14 ALA HA H 14 3.951 3.951 3.989 -0.038 19879 59 1 . 1 1 14 14 ALA CA C 14 54.165 54.165 54.968 -0.803 19879 60 1 . 1 1 14 14 ALA CB C 14 17.236 17.236 18.161 -0.925 19879 61 1 . 1 1 14 14 ALA H H 14 8.038 8.038 7.858 0.180 19879 62 1 . 1 1 15 15 GLU N N 15 117.320 117.320 116.796 0.524 19879 63 1 . 1 1 15 15 GLU HA H 15 4.092 4.092 4.165 -0.073 19879 64 1 . 1 1 15 15 GLU CA C 15 57.492 57.492 58.085 -0.593 19879 65 1 . 1 1 15 15 GLU CB C 15 28.447 28.447 29.687 -1.240 19879 66 1 . 1 1 15 15 GLU H H 15 7.085 7.085 7.897 -0.812 19879 67 1 . 1 1 16 16 ILE N N 16 116.223 116.223 118.679 -2.456 19879 68 1 . 1 1 16 16 ILE HA H 16 3.608 3.608 4.051 -0.443 19879 69 1 . 1 1 16 16 ILE CA C 16 64.020 64.020 62.816 1.204 19879 70 1 . 1 1 16 16 ILE CB C 16 37.722 37.722 38.905 -1.183 19879 71 1 . 1 1 16 16 ILE H H 16 7.331 7.331 7.299 0.032 19879 72 1 . 1 1 17 17 ILE N N 17 116.602 116.602 119.874 -3.272 19879 73 1 . 1 1 17 17 ILE HA H 17 3.648 3.648 3.760 -0.112 19879 74 1 . 1 1 17 17 ILE CA C 17 63.279 63.279 64.649 -1.370 19879 75 1 . 1 1 17 17 ILE CB C 17 37.459 37.459 37.825 -0.366 19879 76 1 . 1 1 17 17 ILE H H 17 8.214 8.214 7.508 0.706 19879 77 1 . 1 1 18 18 ALA N N 18 119.329 119.329 120.402 -1.073 19879 78 1 . 1 1 18 18 ALA HA H 18 4.180 4.180 4.315 -0.135 19879 79 1 . 1 1 18 18 ALA CA C 18 53.736 53.736 53.397 0.339 19879 80 1 . 1 1 18 18 ALA CB C 18 18.574 18.574 19.250 -0.676 19879 81 1 . 1 1 18 18 ALA H H 18 8.056 8.056 7.951 0.105 19879 82 1 . 1 1 19 19 ASN N N 19 110.910 110.910 115.543 -4.633 19879 83 1 . 1 1 19 19 ASN HA H 19 5.022 5.022 4.857 0.165 19879 84 1 . 1 1 19 19 ASN CA C 19 53.590 53.590 52.988 0.602 19879 85 1 . 1 1 19 19 ASN CB C 19 41.094 41.094 40.159 0.935 19879 86 1 . 1 1 19 19 ASN H H 19 7.295 7.295 7.780 -0.485 19879 87 1 . 1 1 20 20 LEU N N 20 119.881 119.881 121.092 -1.211 19879 88 1 . 1 1 20 20 LEU HA H 20 4.723 4.723 4.506 0.217 19879 89 1 . 1 1 20 20 LEU CA C 20 53.487 53.487 54.724 -1.237 19879 90 1 . 1 1 20 20 LEU CB C 20 43.809 43.809 44.666 -0.857 19879 91 1 . 1 1 20 20 LEU H H 20 8.134 8.134 7.346 0.788 19879 92 1 . 1 1 21 21 ASP N N 21 119.289 119.289 124.089 -4.800 19879 93 1 . 1 1 21 21 ASP HA H 21 5.115 5.115 5.047 0.068 19879 94 1 . 1 1 21 21 ASP CA C 21 49.573 49.573 51.900 -2.327 19879 95 1 . 1 1 21 21 ASP CB C 21 41.252 41.252 42.296 -1.044 19879 96 1 . 1 1 21 21 ASP H H 21 8.081 8.081 8.390 -0.309 19879 97 1 . 1 1 22 22 PRO HA H 22 3.936 3.936 4.215 -0.279 19879 98 1 . 1 1 22 22 PRO CA C 22 64.351 64.351 64.870 -0.519 19879 99 1 . 1 1 22 22 PRO CB C 22 31.527 31.527 31.830 -0.303 19879 100 1 . 1 1 23 23 THR N N 23 109.956 109.956 110.677 -0.721 19879 101 1 . 1 1 23 23 THR HA H 23 3.770 3.770 4.115 -0.345 19879 102 1 . 1 1 23 23 THR CA C 23 65.649 65.649 65.636 0.013 19879 103 1 . 1 1 23 23 THR CB C 23 67.525 67.525 68.382 -0.857 19879 104 1 . 1 1 23 23 THR H H 23 8.130 8.130 8.184 -0.054 19879 105 1 . 1 1 24 24 LYS N N 24 121.423 121.423 122.119 -0.696 19879 106 1 . 1 1 24 24 LYS HA H 24 4.164 4.164 4.233 -0.069 19879 107 1 . 1 1 24 24 LYS CA C 24 57.783 57.783 58.898 -1.115 19879 108 1 . 1 1 24 24 LYS CB C 24 31.429 31.429 32.611 -1.182 19879 109 1 . 1 1 24 24 LYS H H 24 7.410 7.410 7.750 -0.340 19879 110 1 . 1 1 25 25 ILE N N 25 118.727 118.727 115.758 2.969 19879 111 1 . 1 1 25 25 ILE HA H 25 3.448 3.448 3.892 -0.444 19879 112 1 . 1 1 25 25 ILE CA C 25 63.939 63.939 63.718 0.221 19879 113 1 . 1 1 25 25 ILE CB C 25 37.148 37.148 37.911 -0.763 19879 114 1 . 1 1 25 25 ILE H H 25 7.255 7.255 7.429 -0.174 19879 115 1 . 1 1 26 26 LEU N N 26 117.967 117.967 121.582 -3.615 19879 116 1 . 1 1 26 26 LEU HA H 26 3.733 3.733 3.930 -0.197 19879 117 1 . 1 1 26 26 LEU CA C 26 57.584 57.584 58.471 -0.887 19879 118 1 . 1 1 26 26 LEU CB C 26 40.870 40.870 41.791 -0.921 19879 119 1 . 1 1 26 26 LEU H H 26 7.893 7.893 7.596 0.297 19879 120 1 . 1 1 27 27 GLU N N 27 117.202 117.202 118.318 -1.116 19879 121 1 . 1 1 27 27 GLU HA H 27 3.796 3.796 3.966 -0.170 19879 122 1 . 1 1 27 27 GLU CA C 27 58.982 58.982 59.679 -0.698 19879 123 1 . 1 1 27 27 GLU CB C 27 28.774 28.774 29.215 -0.441 19879 124 1 . 1 1 27 27 GLU H H 27 7.851 7.851 7.765 0.086 19879 125 1 . 1 1 28 28 GLU N N 28 119.243 119.243 118.753 0.490 19879 126 1 . 1 1 28 28 GLU HA H 28 4.127 4.127 4.161 -0.034 19879 127 1 . 1 1 28 28 GLU CA C 28 57.217 57.217 58.621 -1.404 19879 128 1 . 1 1 28 28 GLU CB C 28 28.199 28.199 29.340 -1.141 19879 129 1 . 1 1 28 28 GLU H H 28 7.597 7.597 7.839 -0.242 19879 130 1 . 1 1 29 29 LEU HA H 29 3.875 3.875 4.102 -0.227 19879 131 1 . 1 1 29 29 LEU CA C 29 57.442 57.442 57.601 -0.159 19879 132 1 . 1 1 29 29 LEU CB C 29 40.811 40.811 42.118 -1.307 19879 133 1 . 1 1 30 30 LEU N N 30 121.505 121.505 118.771 2.734 19879 134 1 . 1 1 30 30 LEU HA H 30 4.115 4.115 4.020 0.095 19879 135 1 . 1 1 30 30 LEU CA C 30 57.859 57.859 57.368 0.491 19879 136 1 . 1 1 30 30 LEU CB C 30 41.266 41.266 41.663 -0.397 19879 137 1 . 1 1 30 30 LEU H H 30 8.508 8.508 7.695 0.813 19879 138 1 . 1 1 31 31 ARG N N 31 120.484 120.484 118.237 2.247 19879 139 1 . 1 1 31 31 ARG HA H 31 4.049 4.049 4.114 -0.065 19879 140 1 . 1 1 31 31 ARG CA C 31 58.469 58.469 58.423 0.046 19879 141 1 . 1 1 31 31 ARG CB C 31 29.373 29.373 30.134 -0.761 19879 142 1 . 1 1 31 31 ARG H H 31 8.274 8.274 7.537 0.737 19879 143 1 . 1 1 32 32 ARG N N 32 114.502 114.502 117.516 -3.014 19879 144 1 . 1 1 32 32 ARG HA H 32 4.453 4.453 4.400 0.053 19879 145 1 . 1 1 32 32 ARG CA C 32 53.662 53.662 56.063 -2.401 19879 146 1 . 1 1 32 32 ARG CB C 32 29.501 29.501 30.407 -0.906 19879 147 1 . 1 1 32 32 ARG H H 32 7.291 7.291 7.679 -0.388 19879 148 1 . 1 1 33 33 GLY N N 33 108.310 108.310 107.708 0.602 19879 149 1 . 1 1 33 33 GLY CA C 33 45.591 45.591 45.349 0.242 19879 150 1 . 1 1 33 33 GLY H H 33 8.134 8.134 7.599 0.535 19879 151 1 . 1 1 34 34 LEU N N 34 117.715 117.715 119.336 -1.621 19879 152 1 . 1 1 34 34 LEU HA H 34 4.405 4.405 4.472 -0.067 19879 153 1 . 1 1 34 34 LEU CA C 34 53.328 53.328 55.188 -1.860 19879 154 1 . 1 1 34 34 LEU CB C 34 41.530 41.530 43.025 -1.495 19879 155 1 . 1 1 34 34 LEU H H 34 8.121 8.121 7.807 0.314 19879 156 1 . 1 1 35 35 LEU N N 35 119.920 119.920 119.586 0.334 19879 157 1 . 1 1 35 35 LEU HA H 35 4.565 4.565 4.579 -0.014 19879 158 1 . 1 1 35 35 LEU CA C 35 52.823 52.823 53.871 -1.048 19879 159 1 . 1 1 35 35 LEU CB C 35 46.726 46.726 44.188 2.538 19879 160 1 . 1 1 35 35 LEU H H 35 7.219 7.219 7.508 -0.289 19879 161 1 . 1 1 36 36 THR N N 36 115.405 115.405 114.976 0.429 19879 162 1 . 1 1 36 36 THR HA H 36 4.743 4.743 4.819 -0.076 19879 163 1 . 1 1 36 36 THR CA C 36 59.034 59.034 58.273 0.761 19879 164 1 . 1 1 36 36 THR CB C 36 68.143 68.143 69.237 -1.094 19879 165 1 . 1 1 36 36 THR H H 36 8.948 8.948 8.249 0.699 19879 166 1 . 1 1 37 37 PRO HA H 37 4.087 4.087 4.341 -0.254 19879 167 1 . 1 1 37 37 PRO CA C 37 65.107 65.107 65.114 -0.007 19879 168 1 . 1 1 37 37 PRO CB C 37 30.837 30.837 31.526 -0.689 19879 169 1 . 1 1 38 38 ALA N N 38 119.090 119.090 120.391 -1.301 19879 170 1 . 1 1 38 38 ALA HA H 38 4.100 4.100 4.187 -0.087 19879 171 1 . 1 1 38 38 ALA CA C 38 54.287 54.287 54.885 -0.598 19879 172 1 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.391 -0.702 19879 173 1 . 1 1 38 38 ALA H H 38 7.975 7.975 8.322 -0.347 19879 174 1 . 1 1 39 39 GLU N N 39 120.475 120.475 118.855 1.620 19879 175 1 . 1 1 39 39 GLU HA H 39 3.785 3.785 4.095 -0.310 19879 176 1 . 1 1 39 39 GLU CA C 39 58.284 58.284 58.522 -0.238 19879 177 1 . 1 1 39 39 GLU CB C 39 29.256 29.256 29.447 -0.190 19879 178 1 . 1 1 39 39 GLU H H 39 7.592 7.592 7.663 -0.071 19879 179 1 . 1 1 40 40 LEU N N 40 118.126 118.126 121.362 -3.236 19879 180 1 . 1 1 40 40 LEU HA H 40 3.827 3.827 3.960 -0.133 19879 181 1 . 1 1 40 40 LEU CA C 40 58.019 58.019 58.209 -0.190 19879 182 1 . 1 1 40 40 LEU CB C 40 40.944 40.944 42.120 -1.176 19879 183 1 . 1 1 40 40 LEU H H 40 7.878 7.878 8.048 -0.170 19879 184 1 . 1 1 41 41 GLN N N 41 116.956 116.956 116.911 0.045 19879 185 1 . 1 1 41 41 GLN HA H 41 3.711 3.711 3.963 -0.252 19879 186 1 . 1 1 41 41 GLN CA C 41 57.560 57.560 58.716 -1.156 19879 187 1 . 1 1 41 41 GLN CB C 41 27.534 27.534 28.206 -0.672 19879 188 1 . 1 1 41 41 GLN H H 41 7.957 7.957 8.064 -0.107 19879 189 1 . 1 1 42 42 GLU N N 42 117.014 117.014 119.846 -2.832 19879 190 1 . 1 1 42 42 GLU HA H 42 4.035 4.035 4.153 -0.118 19879 191 1 . 1 1 42 42 GLU CA C 42 58.865 58.865 59.173 -0.308 19879 192 1 . 1 1 42 42 GLU CB C 42 29.099 29.099 29.704 -0.605 19879 193 1 . 1 1 42 42 GLU H H 42 7.676 7.676 7.590 0.086 19879 194 1 . 1 1 43 43 VAL N N 43 116.546 116.546 119.345 -2.799 19879 195 1 . 1 1 43 43 VAL HA H 43 3.668 3.668 3.909 -0.241 19879 196 1 . 1 1 43 43 VAL CA C 43 65.594 65.594 64.802 0.792 19879 197 1 . 1 1 43 43 VAL CB C 43 30.619 30.619 31.884 -1.265 19879 198 1 . 1 1 43 43 VAL H H 43 7.566 7.566 7.528 0.038 19879 199 1 . 1 1 44 44 LEU N N 44 118.168 118.168 117.867 0.301 19879 200 1 . 1 1 44 44 LEU HA H 44 3.945 3.945 4.272 -0.327 19879 201 1 . 1 1 44 44 LEU CA C 44 56.364 56.364 56.482 -0.118 19879 202 1 . 1 1 44 44 LEU CB C 44 40.548 40.548 42.273 -1.725 19879 203 1 . 1 1 44 44 LEU H H 44 8.199 8.199 8.172 0.027 19879 204 1 . 1 1 45 45 ASP N N 45 116.834 116.834 118.425 -1.591 19879 205 1 . 1 1 45 45 ASP HA H 45 4.478 4.478 4.539 -0.061 19879 206 1 . 1 1 45 45 ASP CA C 45 54.734 54.734 56.599 -1.865 19879 207 1 . 1 1 45 45 ASP CB C 45 40.556 40.556 41.718 -1.162 19879 208 1 . 1 1 45 45 ASP H H 45 7.776 7.776 7.515 0.261 19879 209 1 . 1 1 46 46 LEU N N 46 121.360 121.360 117.689 3.671 19879 210 1 . 1 1 46 46 LEU HA H 46 4.442 4.442 4.396 0.046 19879 211 1 . 1 1 46 46 LEU CA C 46 54.059 54.059 55.136 -1.077 19879 212 1 . 1 1 46 46 LEU CB C 46 41.147 41.147 42.395 -1.248 19879 213 1 . 1 1 46 46 LEU H H 46 7.548 7.548 7.389 0.159 19879 214 1 . 1 1 47 47 LYS N N 47 116.693 116.693 120.169 -3.476 19879 215 1 . 1 1 47 47 LYS HA H 47 4.177 4.177 4.434 -0.257 19879 216 1 . 1 1 47 47 LYS CA C 47 57.459 57.459 55.963 1.496 19879 217 1 . 1 1 47 47 LYS CB C 47 32.785 32.785 32.644 0.141 19879 218 1 . 1 1 47 47 LYS H H 47 8.586 8.586 8.514 0.072 19879 219 1 . 1 1 48 48 THR N N 48 107.567 107.567 113.822 -6.255 19879 220 1 . 1 1 48 48 THR HA H 48 5.013 5.013 4.729 0.284 19879 221 1 . 1 1 48 48 THR CA C 48 57.421 57.421 58.605 -1.184 19879 222 1 . 1 1 48 48 THR CB C 48 69.457 69.457 69.018 0.439 19879 223 1 . 1 1 48 48 THR H H 48 7.459 7.459 7.597 -0.138 19879 224 1 . 1 1 49 49 PRO HA H 49 4.336 4.336 4.197 0.140 19879 225 1 . 1 1 49 49 PRO CA C 49 64.167 64.167 65.250 -1.083 19879 226 1 . 1 1 49 49 PRO CB C 49 31.248 31.248 31.861 -0.613 19879 227 1 . 1 1 50 50 GLU N N 50 117.217 117.217 117.214 0.003 19879 228 1 . 1 1 50 50 GLU HA H 50 3.818 3.818 3.984 -0.166 19879 229 1 . 1 1 50 50 GLU CA C 50 60.106 60.106 59.832 0.273 19879 230 1 . 1 1 50 50 GLU CB C 50 28.104 28.104 28.978 -0.874 19879 231 1 . 1 1 50 50 GLU H H 50 9.036 9.036 8.836 0.200 19879 232 1 . 1 1 51 51 GLU N N 51 117.482 117.482 119.401 -1.919 19879 233 1 . 1 1 51 51 GLU HA H 51 3.911 3.911 4.089 -0.178 19879 234 1 . 1 1 51 51 GLU CA C 51 58.607 58.607 59.003 -0.396 19879 235 1 . 1 1 51 51 GLU CB C 51 30.604 30.604 29.335 1.269 19879 236 1 . 1 1 51 51 GLU H H 51 7.561 7.561 7.953 -0.392 19879 237 1 . 1 1 52 52 GLN N N 52 118.967 118.967 119.174 -0.207 19879 238 1 . 1 1 52 52 GLN HA H 52 3.789 3.789 3.967 -0.178 19879 239 1 . 1 1 52 52 GLN CA C 52 58.970 58.970 59.160 -0.190 19879 240 1 . 1 1 52 52 GLN CB C 52 27.522 27.522 28.606 -1.084 19879 241 1 . 1 1 52 52 GLN H H 52 8.125 8.125 7.964 0.161 19879 242 1 . 1 1 53 53 ALA N N 53 119.946 119.946 121.313 -1.367 19879 243 1 . 1 1 53 53 ALA HA H 53 3.747 3.747 3.976 -0.229 19879 244 1 . 1 1 53 53 ALA CA C 53 54.759 54.759 55.116 -0.357 19879 245 1 . 1 1 53 53 ALA CB C 53 18.354 18.354 18.260 0.094 19879 246 1 . 1 1 53 53 ALA H H 53 8.698 8.698 7.710 0.988 19879 247 1 . 1 1 54 54 LYS N N 54 115.558 115.558 117.850 -2.292 19879 248 1 . 1 1 54 54 LYS HA H 54 3.692 3.692 3.966 -0.274 19879 249 1 . 1 1 54 54 LYS CA C 54 59.136 59.136 59.299 -0.163 19879 250 1 . 1 1 54 54 LYS CB C 54 31.793 31.793 32.248 -0.455 19879 251 1 . 1 1 54 54 LYS H H 54 7.647 7.647 7.609 0.038 19879 252 1 . 1 1 55 55 LYS N N 55 119.514 119.514 119.454 0.060 19879 253 1 . 1 1 55 55 LYS HA H 55 3.852 3.852 3.952 -0.100 19879 254 1 . 1 1 55 55 LYS CA C 55 56.369 56.369 58.761 -2.392 19879 255 1 . 1 1 55 55 LYS CB C 55 30.101 30.101 32.170 -2.069 19879 256 1 . 1 1 55 55 LYS H H 55 7.593 7.593 7.895 -0.302 19879 257 1 . 1 1 56 56 LEU N N 56 118.162 118.162 121.024 -2.862 19879 258 1 . 1 1 56 56 LEU HA H 56 3.835 3.835 4.123 -0.288 19879 259 1 . 1 1 56 56 LEU CA C 56 57.881 57.881 58.266 -0.385 19879 260 1 . 1 1 56 56 LEU CB C 56 41.062 41.062 42.172 -1.110 19879 261 1 . 1 1 56 56 LEU H H 56 8.035 8.035 7.475 0.560 19879 262 1 . 1 1 57 57 ILE N N 57 116.360 116.360 117.603 -1.243 19879 263 1 . 1 1 57 57 ILE HA H 57 3.532 3.532 3.586 -0.054 19879 264 1 . 1 1 57 57 ILE CA C 57 62.607 62.607 65.319 -2.712 19879 265 1 . 1 1 57 57 ILE CB C 57 35.192 35.192 37.485 -2.293 19879 266 1 . 1 1 57 57 ILE H H 57 7.769 7.769 7.716 0.054 19879 267 1 . 1 1 58 58 ASP N N 58 121.683 121.683 119.955 1.728 19879 268 1 . 1 1 58 58 ASP HA H 58 4.236 4.236 4.425 -0.189 19879 269 1 . 1 1 58 58 ASP CA C 58 57.080 57.080 57.443 -0.363 19879 270 1 . 1 1 58 58 ASP CB C 58 39.997 39.997 40.700 -0.703 19879 271 1 . 1 1 58 58 ASP H H 58 7.859 7.859 7.820 0.039 19879 272 1 . 1 1 59 59 PHE N N 59 115.587 115.587 117.056 -1.469 19879 273 1 . 1 1 59 59 PHE HA H 59 4.450 4.450 4.411 0.039 19879 274 1 . 1 1 59 59 PHE CA C 59 57.353 57.353 60.066 -2.713 19879 275 1 . 1 1 59 59 PHE CB C 59 36.750 36.750 39.757 -3.007 19879 276 1 . 1 1 59 59 PHE H H 59 7.968 7.968 7.508 0.460 19879 277 1 . 1 1 60 60 ILE N N 60 117.997 117.997 115.133 2.864 19879 278 1 . 1 1 60 60 ILE HA H 60 3.784 3.784 4.181 -0.397 19879 279 1 . 1 1 60 60 ILE CA C 60 63.825 63.825 63.029 0.796 19879 280 1 . 1 1 60 60 ILE CB C 60 37.937 37.937 38.120 -0.183 19879 281 1 . 1 1 60 60 ILE H H 60 7.787 7.787 7.689 0.098 19879 282 1 . 1 1 61 61 LEU HA H 61 4.133 4.133 4.246 -0.113 19879 283 1 . 1 1 61 61 LEU CA C 61 55.461 55.461 55.945 -0.485 19879 284 1 . 1 1 61 61 LEU CB C 61 39.989 39.989 42.189 -2.200 19879 stop_ save_