data_18801 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18801 _Entry.PDB_ID 2M08 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 18801 _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 PRO HA H 2 4.469 4.469 4.473 -0.004 18801 2 1 1 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.053 -2.804 18801 3 1 1 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.827 -2.291 18801 4 1 1 . 1 1 3 3 SER N N 3 116.356 116.356 120.394 -4.038 18801 5 1 1 . 1 1 3 3 SER HA H 3 4.457 4.457 4.584 -0.127 18801 6 1 1 . 1 1 3 3 SER CA C 3 55.255 55.255 57.858 -2.603 18801 7 1 1 . 1 1 3 3 SER CB C 3 61.066 61.066 63.631 -2.565 18801 8 1 1 . 1 1 3 3 SER H H 3 8.502 8.502 8.383 0.119 18801 9 1 1 . 1 1 4 4 ASN N N 4 120.863 120.863 122.493 -1.630 18801 10 1 1 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.682 0.014 18801 11 1 1 . 1 1 4 4 ASN C C 4 180.499 180.499 174.393 6.106 18801 12 1 1 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.183 -3.447 18801 13 1 1 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.775 -3.974 18801 14 1 1 . 1 1 4 4 ASN H H 4 8.463 8.463 8.660 -0.197 18801 15 1 1 . 1 1 5 5 LYS N N 5 119.444 119.444 116.285 3.159 18801 16 1 1 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.170 -0.074 18801 17 1 1 . 1 1 5 5 LYS C C 5 179.306 179.306 174.591 4.715 18801 18 1 1 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.515 -2.566 18801 19 1 1 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.244 -3.603 18801 20 1 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.569 0.396 18801 21 1 1 . 1 1 6 6 ILE N N 6 115.941 115.941 113.804 2.137 18801 22 1 1 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.650 0.911 18801 23 1 1 . 1 1 6 6 ILE C C 6 183.130 183.130 174.282 8.848 18801 24 1 1 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.305 -2.587 18801 25 1 1 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.049 -2.345 18801 26 1 1 . 1 1 6 6 ILE H H 6 8.133 8.133 7.905 0.228 18801 27 1 1 . 1 1 7 7 LYS N N 7 122.265 122.265 123.746 -1.481 18801 28 1 1 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.759 -0.004 18801 29 1 1 . 1 1 7 7 LYS C C 7 177.364 177.364 176.903 0.461 18801 30 1 1 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.364 -6.136 18801 31 1 1 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.213 -2.027 18801 32 1 1 . 1 1 7 7 LYS H H 7 8.155 8.155 8.386 -0.231 18801 33 1 1 . 1 1 8 8 CYS N N 8 118.452 118.452 121.608 -3.156 18801 34 1 1 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.577 0.178 18801 35 1 1 . 1 1 8 8 CYS C C 8 181.803 181.803 172.839 8.964 18801 36 1 1 . 1 1 8 8 CYS CA C 8 53.600 53.600 56.680 -3.080 18801 37 1 1 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.670 -0.085 18801 38 1 1 . 1 1 8 8 CYS H H 8 7.243 7.243 8.763 -1.520 18801 39 1 1 . 1 1 9 9 SER N N 9 115.559 115.559 115.168 0.391 18801 40 1 1 . 1 1 9 9 SER HA H 9 5.777 5.777 5.513 0.264 18801 41 1 1 . 1 1 9 9 SER C C 9 181.609 181.609 173.302 8.307 18801 42 1 1 . 1 1 9 9 SER CA C 9 53.256 53.256 56.584 -3.328 18801 43 1 1 . 1 1 9 9 SER CB C 9 64.431 64.431 65.993 -1.562 18801 44 1 1 . 1 1 9 9 SER H H 9 9.148 9.148 8.530 0.618 18801 45 1 1 . 1 1 10 10 HIS N N 10 119.227 119.227 113.457 5.770 18801 46 1 1 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.250 1.241 18801 47 1 1 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.977 -4.733 18801 48 1 1 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.129 2.519 18801 49 1 1 . 1 1 10 10 HIS H H 10 9.626 9.626 8.860 0.766 18801 50 1 1 . 1 1 11 11 ILE N N 11 121.859 121.859 121.497 0.362 18801 51 1 1 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.315 -0.907 18801 52 1 1 . 1 1 11 11 ILE C C 11 182.235 182.235 174.150 8.085 18801 53 1 1 . 1 1 11 11 ILE CA C 11 58.608 58.608 59.976 -1.368 18801 54 1 1 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.691 -3.134 18801 55 1 1 . 1 1 11 11 ILE H H 11 8.978 8.978 8.884 0.094 18801 56 1 1 . 1 1 12 12 LEU N N 12 128.789 128.789 128.016 0.773 18801 57 1 1 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.470 -0.422 18801 58 1 1 . 1 1 12 12 LEU C C 12 180.111 180.111 176.586 3.525 18801 59 1 1 . 1 1 12 12 LEU CA C 12 49.529 49.529 52.974 -3.445 18801 60 1 1 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.334 -1.060 18801 61 1 1 . 1 1 12 12 LEU H H 12 7.659 7.659 8.013 -0.354 18801 62 1 1 . 1 1 13 13 VAL N N 13 117.652 117.652 118.402 -0.750 18801 63 1 1 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.701 0.222 18801 64 1 1 . 1 1 13 13 VAL C C 13 178.956 178.956 175.334 3.622 18801 65 1 1 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.970 -3.614 18801 66 1 1 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.921 -2.676 18801 67 1 1 . 1 1 13 13 VAL H H 13 8.916 8.916 7.778 1.138 18801 68 1 1 . 1 1 14 14 SER N N 14 115.236 115.236 114.783 0.453 18801 69 1 1 . 1 1 14 14 SER HA H 14 4.591 4.591 4.770 -0.179 18801 70 1 1 . 1 1 14 14 SER C C 14 179.440 179.440 174.421 5.019 18801 71 1 1 . 1 1 14 14 SER CA C 14 58.302 58.302 58.978 -0.676 18801 72 1 1 . 1 1 14 14 SER CB C 14 61.585 61.585 64.764 -3.179 18801 73 1 1 . 1 1 14 14 SER H H 14 8.799 8.799 8.583 0.216 18801 74 1 1 . 1 1 15 15 LYS N N 15 117.100 117.100 120.837 -3.737 18801 75 1 1 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.852 -0.039 18801 76 1 1 . 1 1 15 15 LYS C C 15 178.183 178.183 176.258 1.925 18801 77 1 1 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.333 -3.534 18801 78 1 1 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.866 -1.910 18801 79 1 1 . 1 1 15 15 LYS H H 15 7.749 7.749 7.955 -0.206 18801 80 1 1 . 1 1 16 16 GLN N N 16 126.339 126.339 123.783 2.556 18801 81 1 1 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.346 -0.801 18801 82 1 1 . 1 1 16 16 GLN C C 16 176.604 176.604 177.801 -1.197 18801 83 1 1 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.630 -2.191 18801 84 1 1 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.999 -3.235 18801 85 1 1 . 1 1 16 16 GLN H H 16 8.810 8.810 9.184 -0.374 18801 86 1 1 . 1 1 17 17 SER N N 17 112.691 112.691 113.910 -1.219 18801 87 1 1 . 1 1 17 17 SER HA H 17 3.841 3.841 4.136 -0.295 18801 88 1 1 . 1 1 17 17 SER C C 17 176.880 176.880 175.605 1.275 18801 89 1 1 . 1 1 17 17 SER CA C 17 58.169 58.169 60.492 -2.323 18801 90 1 1 . 1 1 17 17 SER CB C 17 58.144 58.144 62.629 -4.485 18801 91 1 1 . 1 1 17 17 SER H H 17 8.637 8.637 8.440 0.197 18801 92 1 1 . 1 1 18 18 GLU N N 18 122.640 122.640 119.983 2.657 18801 93 1 1 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.249 -0.205 18801 94 1 1 . 1 1 18 18 GLU C C 18 176.035 176.035 177.412 -1.377 18801 95 1 1 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.197 -3.146 18801 96 1 1 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.205 -3.302 18801 97 1 1 . 1 1 18 18 GLU H H 18 6.560 6.560 7.580 -1.020 18801 98 1 1 . 1 1 19 19 ALA N N 19 122.963 122.963 122.010 0.953 18801 99 1 1 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.077 -0.272 18801 100 1 1 . 1 1 19 19 ALA C C 19 175.728 175.728 179.846 -4.118 18801 101 1 1 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.104 -3.154 18801 102 1 1 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.817 -4.327 18801 103 1 1 . 1 1 19 19 ALA H H 19 7.435 7.435 7.570 -0.135 18801 104 1 1 . 1 1 20 20 LEU N N 20 117.683 117.683 119.139 -1.456 18801 105 1 1 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.051 -0.150 18801 106 1 1 . 1 1 20 20 LEU C C 20 174.983 174.983 178.753 -3.770 18801 107 1 1 . 1 1 20 20 LEU CA C 20 55.009 55.009 57.044 -2.035 18801 108 1 1 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.026 -2.185 18801 109 1 1 . 1 1 20 20 LEU H H 20 8.204 8.204 8.469 -0.265 18801 110 1 1 . 1 1 21 21 ALA N N 21 122.191 122.191 121.759 0.432 18801 111 1 1 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.105 0.039 18801 112 1 1 . 1 1 21 21 ALA C C 21 173.510 173.510 179.480 -5.970 18801 113 1 1 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.550 -2.464 18801 114 1 1 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.981 -3.119 18801 115 1 1 . 1 1 21 21 ALA H H 21 7.432 7.432 7.862 -0.430 18801 116 1 1 . 1 1 22 22 ILE N N 22 120.079 120.079 118.624 1.455 18801 117 1 1 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.807 -0.404 18801 118 1 1 . 1 1 22 22 ILE C C 22 177.128 177.128 177.681 -0.553 18801 119 1 1 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.458 -1.180 18801 120 1 1 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.148 -2.841 18801 121 1 1 . 1 1 22 22 ILE H H 22 7.649 7.649 7.674 -0.025 18801 122 1 1 . 1 1 23 23 MET N N 23 118.682 118.682 116.327 2.355 18801 123 1 1 . 1 1 23 23 MET HA H 23 4.260 4.260 4.531 -0.271 18801 124 1 1 . 1 1 23 23 MET C C 23 175.086 175.086 177.027 -1.941 18801 125 1 1 . 1 1 23 23 MET CA C 23 54.737 54.737 57.784 -3.047 18801 126 1 1 . 1 1 23 23 MET CB C 23 27.240 27.240 33.065 -5.825 18801 127 1 1 . 1 1 23 23 MET H H 23 8.008 8.008 7.708 0.300 18801 128 1 1 . 1 1 24 24 GLU N N 24 118.261 118.261 118.828 -0.567 18801 129 1 1 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.228 -0.223 18801 130 1 1 . 1 1 24 24 GLU C C 24 175.157 175.157 178.130 -2.973 18801 131 1 1 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.253 -1.790 18801 132 1 1 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.844 -3.593 18801 133 1 1 . 1 1 24 24 GLU H H 24 7.527 7.527 7.745 -0.218 18801 134 1 1 . 1 1 25 25 LYS N N 25 121.138 121.138 119.940 1.198 18801 135 1 1 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.099 -0.090 18801 136 1 1 . 1 1 25 25 LYS C C 25 174.603 174.603 179.134 -4.531 18801 137 1 1 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.436 -1.575 18801 138 1 1 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.275 -2.466 18801 139 1 1 . 1 1 25 25 LYS H H 25 7.645 7.645 8.142 -0.497 18801 140 1 1 . 1 1 26 26 LEU N N 26 121.410 121.410 118.875 2.535 18801 141 1 1 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.030 0.151 18801 142 1 1 . 1 1 26 26 LEU C C 26 172.921 172.921 179.283 -6.362 18801 143 1 1 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.290 -2.383 18801 144 1 1 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.476 -2.971 18801 145 1 1 . 1 1 26 26 LEU H H 26 8.617 8.617 7.704 0.913 18801 146 1 1 . 1 1 27 27 LYS N N 27 121.975 121.975 119.743 2.232 18801 147 1 1 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.044 -0.021 18801 148 1 1 . 1 1 27 27 LYS C C 27 176.493 176.493 177.595 -1.102 18801 149 1 1 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.522 -1.910 18801 150 1 1 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.959 -2.701 18801 151 1 1 . 1 1 27 27 LYS H H 27 8.239 8.239 7.834 0.405 18801 152 1 1 . 1 1 28 28 SER N N 28 113.123 113.123 111.825 1.298 18801 153 1 1 . 1 1 28 28 SER HA H 28 4.472 4.472 4.430 0.042 18801 154 1 1 . 1 1 28 28 SER C C 28 180.378 180.378 174.948 5.430 18801 155 1 1 . 1 1 28 28 SER CA C 28 56.232 56.232 58.770 -2.538 18801 156 1 1 . 1 1 28 28 SER CB C 28 60.798 60.798 64.202 -3.404 18801 157 1 1 . 1 1 28 28 SER H H 28 7.620 7.620 7.973 -0.353 18801 158 1 1 . 1 1 29 29 GLY N N 29 107.497 107.497 108.965 -1.468 18801 159 1 1 . 1 1 29 29 GLY C C 29 179.552 179.552 173.858 5.694 18801 160 1 1 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.704 -2.656 18801 161 1 1 . 1 1 29 29 GLY H H 29 7.667 7.667 7.886 -0.219 18801 162 1 1 . 1 1 30 30 GLU N N 30 121.320 121.320 119.331 1.989 18801 163 1 1 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.548 -0.325 18801 164 1 1 . 1 1 30 30 GLU C C 30 178.900 178.900 175.441 3.459 18801 165 1 1 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.124 -0.923 18801 166 1 1 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.304 -4.223 18801 167 1 1 . 1 1 30 30 GLU H H 30 7.690 7.690 7.773 -0.083 18801 168 1 1 . 1 1 31 31 LYS N N 31 122.239 122.239 120.322 1.917 18801 169 1 1 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.686 -0.455 18801 170 1 1 . 1 1 31 31 LYS C C 31 177.152 177.152 177.011 0.141 18801 171 1 1 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.343 -1.009 18801 172 1 1 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.523 -3.387 18801 173 1 1 . 1 1 31 31 LYS H H 31 8.793 8.793 8.322 0.471 18801 174 1 1 . 1 1 32 32 PHE N N 32 126.167 126.167 126.676 -0.509 18801 175 1 1 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.230 -0.595 18801 176 1 1 . 1 1 32 32 PHE C C 32 177.437 177.437 177.241 0.196 18801 177 1 1 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.089 -2.007 18801 178 1 1 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.498 -1.972 18801 179 1 1 . 1 1 32 32 PHE H H 32 9.002 9.002 9.213 -0.211 18801 180 1 1 . 1 1 33 33 GLY N N 33 103.648 103.648 106.428 -2.780 18801 181 1 1 . 1 1 33 33 GLY C C 33 179.280 179.280 175.709 3.571 18801 182 1 1 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.735 -2.576 18801 183 1 1 . 1 1 33 33 GLY H H 33 9.168 9.168 8.751 0.417 18801 184 1 1 . 1 1 34 34 LYS N N 34 120.972 120.972 120.873 0.099 18801 185 1 1 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.098 -0.128 18801 186 1 1 . 1 1 34 34 LYS C C 34 176.326 176.326 177.493 -1.167 18801 187 1 1 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.438 -2.196 18801 188 1 1 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.411 -2.076 18801 189 1 1 . 1 1 34 34 LYS H H 34 6.642 6.642 7.694 -1.052 18801 190 1 1 . 1 1 35 35 LEU N N 35 118.154 118.154 116.177 1.977 18801 191 1 1 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.482 -0.579 18801 192 1 1 . 1 1 35 35 LEU C C 35 175.872 175.872 177.632 -1.760 18801 193 1 1 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.447 -0.955 18801 194 1 1 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.829 -4.059 18801 195 1 1 . 1 1 35 35 LEU H H 35 7.425 7.425 7.617 -0.192 18801 196 1 1 . 1 1 36 36 ALA N N 36 120.438 120.438 122.834 -2.396 18801 197 1 1 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.951 -0.261 18801 198 1 1 . 1 1 36 36 ALA C C 36 176.117 176.117 178.800 -2.683 18801 199 1 1 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.906 -2.332 18801 200 1 1 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.288 -3.557 18801 201 1 1 . 1 1 36 36 ALA H H 36 8.229 8.229 7.747 0.482 18801 202 1 1 . 1 1 37 37 LYS N N 37 116.463 116.463 114.766 1.697 18801 203 1 1 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.440 -0.393 18801 204 1 1 . 1 1 37 37 LYS C C 37 175.232 175.232 176.431 -1.199 18801 205 1 1 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.188 -0.770 18801 206 1 1 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.689 -2.732 18801 207 1 1 . 1 1 37 37 LYS H H 37 7.568 7.568 7.816 -0.248 18801 208 1 1 . 1 1 38 38 GLU N N 38 115.319 115.319 117.854 -2.535 18801 209 1 1 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.425 -0.391 18801 210 1 1 . 1 1 38 38 GLU C C 38 176.423 176.423 177.370 -0.947 18801 211 1 1 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.748 -0.979 18801 212 1 1 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.547 -2.258 18801 213 1 1 . 1 1 38 38 GLU H H 38 7.766 7.766 7.522 0.244 18801 214 1 1 . 1 1 39 39 LEU N N 39 114.689 114.689 120.519 -5.830 18801 215 1 1 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.050 0.445 18801 216 1 1 . 1 1 39 39 LEU C C 39 177.452 177.452 177.831 -0.379 18801 217 1 1 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.848 -4.803 18801 218 1 1 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.290 -0.470 18801 219 1 1 . 1 1 39 39 LEU H H 39 8.214 8.214 8.000 0.214 18801 220 1 1 . 1 1 40 40 SER N N 40 110.112 110.112 113.248 -3.136 18801 221 1 1 . 1 1 40 40 SER HA H 40 4.617 4.617 4.407 0.210 18801 222 1 1 . 1 1 40 40 SER C C 40 177.179 177.179 175.654 1.525 18801 223 1 1 . 1 1 40 40 SER CA C 40 54.102 54.102 59.377 -5.275 18801 224 1 1 . 1 1 40 40 SER CB C 40 62.559 62.559 62.587 -0.028 18801 225 1 1 . 1 1 40 40 SER H H 40 7.848 7.848 7.498 0.350 18801 226 1 1 . 1 1 41 41 ILE N N 41 119.941 119.941 119.639 0.302 18801 227 1 1 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.047 0.323 18801 228 1 1 . 1 1 41 41 ILE C C 41 178.010 178.010 175.741 2.269 18801 229 1 1 . 1 1 41 41 ILE CA C 41 58.878 58.878 62.006 -3.128 18801 230 1 1 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.217 -3.872 18801 231 1 1 . 1 1 41 41 ILE H H 41 9.126 9.126 8.174 0.952 18801 232 1 1 . 1 1 42 42 ASP N N 42 120.547 120.547 120.850 -0.303 18801 233 1 1 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.490 0.343 18801 234 1 1 . 1 1 42 42 ASP C C 42 179.215 179.215 176.947 2.268 18801 235 1 1 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.089 -4.771 18801 236 1 1 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.097 -3.881 18801 237 1 1 . 1 1 42 42 ASP H H 42 7.476 7.476 7.949 -0.473 18801 238 1 1 . 1 1 43 43 SER N N 43 122.805 122.805 122.356 0.449 18801 239 1 1 . 1 1 43 43 SER HA H 43 4.115 4.115 4.165 -0.050 18801 240 1 1 . 1 1 43 43 SER C C 43 178.349 178.349 175.941 2.408 18801 241 1 1 . 1 1 43 43 SER CA C 43 58.425 58.425 60.988 -2.563 18801 242 1 1 . 1 1 43 43 SER CB C 43 59.904 59.904 63.289 -3.385 18801 243 1 1 . 1 1 43 43 SER H H 43 8.215 8.215 8.549 -0.334 18801 244 1 1 . 1 1 44 44 GLY N N 44 107.974 107.974 106.993 0.981 18801 245 1 1 . 1 1 44 44 GLY C C 44 179.677 179.677 173.309 6.368 18801 246 1 1 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.245 -1.434 18801 247 1 1 . 1 1 44 44 GLY H H 44 8.384 8.384 8.307 0.077 18801 248 1 1 . 1 1 45 45 SER N N 45 110.539 110.539 116.022 -5.483 18801 249 1 1 . 1 1 45 45 SER HA H 45 4.493 4.493 4.511 -0.018 18801 250 1 1 . 1 1 45 45 SER C C 45 176.530 176.530 174.815 1.715 18801 251 1 1 . 1 1 45 45 SER CA C 45 56.718 56.718 59.323 -2.605 18801 252 1 1 . 1 1 45 45 SER CB C 45 62.291 62.291 64.532 -2.241 18801 253 1 1 . 1 1 45 45 SER H H 45 7.177 7.177 7.519 -0.342 18801 254 1 1 . 1 1 46 46 ALA N N 46 132.579 132.579 125.854 6.725 18801 255 1 1 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.476 -0.738 18801 256 1 1 . 1 1 46 46 ALA C C 46 175.404 175.404 178.801 -3.397 18801 257 1 1 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.655 -0.468 18801 258 1 1 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.663 -2.726 18801 259 1 1 . 1 1 46 46 ALA H H 46 8.726 8.726 7.928 0.798 18801 260 1 1 . 1 1 47 47 LYS N N 47 111.990 111.990 116.713 -4.723 18801 261 1 1 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.224 -0.117 18801 262 1 1 . 1 1 47 47 LYS C C 47 177.450 177.450 176.750 0.700 18801 263 1 1 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.612 -2.503 18801 264 1 1 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.711 -3.862 18801 265 1 1 . 1 1 47 47 LYS H H 47 7.668 7.668 8.241 -0.573 18801 266 1 1 . 1 1 48 48 LYS N N 48 118.900 118.900 116.766 2.134 18801 267 1 1 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.537 0.066 18801 268 1 1 . 1 1 48 48 LYS C C 48 177.786 177.786 175.655 2.131 18801 269 1 1 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.874 -3.360 18801 270 1 1 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.831 -3.373 18801 271 1 1 . 1 1 48 48 LYS H H 48 7.382 7.382 7.566 -0.184 18801 272 1 1 . 1 1 49 49 ASN N N 49 115.995 115.995 117.715 -1.720 18801 273 1 1 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.303 -0.045 18801 274 1 1 . 1 1 49 49 ASN C C 49 180.354 180.354 175.746 4.608 18801 275 1 1 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.565 -2.151 18801 276 1 1 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.519 -4.197 18801 277 1 1 . 1 1 49 49 ASN H H 49 8.021 8.021 8.254 -0.233 18801 278 1 1 . 1 1 50 50 GLY N N 50 104.621 104.621 102.059 2.562 18801 279 1 1 . 1 1 50 50 GLY C C 50 180.665 180.665 173.467 7.198 18801 280 1 1 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.835 -3.302 18801 281 1 1 . 1 1 50 50 GLY H H 50 8.512 8.512 8.828 -0.316 18801 282 1 1 . 1 1 51 51 ASN N N 51 118.054 118.054 119.179 -1.125 18801 283 1 1 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.752 0.047 18801 284 1 1 . 1 1 51 51 ASN C C 51 179.848 179.848 175.974 3.874 18801 285 1 1 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.814 0.279 18801 286 1 1 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.623 -2.825 18801 287 1 1 . 1 1 51 51 ASN H H 51 7.146 7.146 8.085 -0.939 18801 288 1 1 . 1 1 52 52 LEU N N 52 126.673 126.673 122.827 3.846 18801 289 1 1 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.682 -0.362 18801 290 1 1 . 1 1 52 52 LEU C C 52 176.682 176.682 177.156 -0.474 18801 291 1 1 . 1 1 52 52 LEU CA C 52 51.441 51.441 53.718 -2.277 18801 292 1 1 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.397 -0.935 18801 293 1 1 . 1 1 52 52 LEU H H 52 8.607 8.607 8.235 0.372 18801 294 1 1 . 1 1 53 53 GLY N N 53 108.525 108.525 106.904 1.621 18801 295 1 1 . 1 1 53 53 GLY C C 53 182.708 182.708 173.786 8.922 18801 296 1 1 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.344 -3.742 18801 297 1 1 . 1 1 53 53 GLY H H 53 8.121 8.121 7.684 0.437 18801 298 1 1 . 1 1 54 54 TYR N N 54 114.992 114.992 121.707 -6.715 18801 299 1 1 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.116 0.066 18801 300 1 1 . 1 1 54 54 TYR C C 54 176.195 176.195 176.165 0.030 18801 301 1 1 . 1 1 54 54 TYR CA C 54 55.026 55.026 58.105 -3.079 18801 302 1 1 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.587 -2.192 18801 303 1 1 . 1 1 54 54 TYR H H 54 8.187 8.187 8.484 -0.297 18801 304 1 1 . 1 1 55 55 PHE N N 55 118.041 118.041 122.807 -4.766 18801 305 1 1 . 1 1 55 55 PHE HA H 55 5.103 5.103 4.986 0.117 18801 306 1 1 . 1 1 55 55 PHE C C 55 181.875 181.875 173.339 8.536 18801 307 1 1 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.306 -3.381 18801 308 1 1 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.417 -3.250 18801 309 1 1 . 1 1 55 55 PHE H H 55 9.093 9.093 8.710 0.383 18801 310 1 1 . 1 1 56 56 THR N N 56 109.577 109.577 107.716 1.861 18801 311 1 1 . 1 1 56 56 THR HA H 56 5.267 5.267 4.040 1.227 18801 312 1 1 . 1 1 56 56 THR C C 56 178.403 178.403 173.414 4.989 18801 313 1 1 . 1 1 56 56 THR CA C 56 56.522 56.522 59.699 -3.177 18801 314 1 1 . 1 1 56 56 THR CB C 56 69.673 69.673 71.172 -1.499 18801 315 1 1 . 1 1 56 56 THR H H 56 7.949 7.949 7.842 0.107 18801 316 1 1 . 1 1 57 57 LYS N N 57 121.639 121.639 121.500 0.139 18801 317 1 1 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.222 -0.227 18801 318 1 1 . 1 1 57 57 LYS C C 57 176.706 176.706 176.867 -0.161 18801 319 1 1 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.484 -1.789 18801 320 1 1 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.766 -2.382 18801 321 1 1 . 1 1 57 57 LYS H H 57 8.703 8.703 8.697 0.006 18801 322 1 1 . 1 1 58 58 GLY N N 58 114.416 114.416 112.513 1.903 18801 323 1 1 . 1 1 58 58 GLY C C 58 180.079 180.079 174.893 5.186 18801 324 1 1 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.120 -2.761 18801 325 1 1 . 1 1 58 58 GLY H H 58 10.495 10.495 8.733 1.762 18801 326 1 1 . 1 1 59 59 MET N N 59 118.231 118.231 118.062 0.169 18801 327 1 1 . 1 1 59 59 MET HA H 59 4.366 4.366 4.586 -0.220 18801 328 1 1 . 1 1 59 59 MET C C 59 178.798 178.798 175.816 2.982 18801 329 1 1 . 1 1 59 59 MET CA C 59 55.129 55.129 55.769 -0.640 18801 330 1 1 . 1 1 59 59 MET CB C 59 32.196 32.196 33.347 -1.151 18801 331 1 1 . 1 1 59 59 MET H H 59 7.681 7.681 8.112 -0.431 18801 332 1 1 . 1 1 60 60 MET N N 60 118.667 118.667 117.900 0.767 18801 333 1 1 . 1 1 60 60 MET HA H 60 4.629 4.629 4.824 -0.195 18801 334 1 1 . 1 1 60 60 MET C C 60 178.834 178.834 175.146 3.688 18801 335 1 1 . 1 1 60 60 MET CA C 60 49.108 49.108 53.886 -4.778 18801 336 1 1 . 1 1 60 60 MET CB C 60 30.952 30.952 34.917 -3.965 18801 337 1 1 . 1 1 60 60 MET H H 60 8.905 8.905 7.554 1.351 18801 338 1 1 . 1 1 61 61 VAL N N 61 114.198 114.198 116.295 -2.097 18801 339 1 1 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.460 -0.304 18801 340 1 1 . 1 1 61 61 VAL C C 61 176.731 176.731 176.551 0.180 18801 341 1 1 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.214 -0.849 18801 342 1 1 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.504 -3.823 18801 343 1 1 . 1 1 61 61 VAL H H 61 8.062 8.062 8.108 -0.046 18801 344 1 1 . 1 1 62 62 LYS N N 62 124.862 124.862 123.597 1.265 18801 345 1 1 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.145 0.004 18801 346 1 1 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.147 -1.901 18801 347 1 1 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.122 -3.972 18801 348 1 1 . 1 1 62 62 LYS H H 62 8.736 8.736 8.860 -0.124 18801 349 1 1 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.490 -0.092 18801 350 1 1 . 1 1 63 63 PRO C C 63 174.841 174.841 175.372 -0.531 18801 351 1 1 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.423 -0.495 18801 352 1 1 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.295 -1.068 18801 353 1 1 . 1 1 64 64 PHE N N 64 115.340 115.340 119.800 -4.460 18801 354 1 1 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.377 -0.743 18801 355 1 1 . 1 1 64 64 PHE C C 64 178.782 178.782 174.391 4.391 18801 356 1 1 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.889 -2.196 18801 357 1 1 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.513 -3.239 18801 358 1 1 . 1 1 64 64 PHE H H 64 6.870 6.870 8.196 -1.326 18801 359 1 1 . 1 1 65 65 GLU N N 65 120.356 120.356 120.539 -0.183 18801 360 1 1 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.093 -0.141 18801 361 1 1 . 1 1 65 65 GLU C C 65 177.209 177.209 177.943 -0.734 18801 362 1 1 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.623 -1.839 18801 363 1 1 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.189 -2.100 18801 364 1 1 . 1 1 65 65 GLU H H 65 8.429 8.429 8.409 0.020 18801 365 1 1 . 1 1 66 66 ASP N N 66 117.560 117.560 120.791 -3.231 18801 366 1 1 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.228 0.075 18801 367 1 1 . 1 1 66 66 ASP C C 66 176.337 176.337 176.816 -0.479 18801 368 1 1 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.872 -2.845 18801 369 1 1 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.699 -3.177 18801 370 1 1 . 1 1 66 66 ASP H H 66 8.925 8.925 7.631 1.294 18801 371 1 1 . 1 1 67 67 ALA N N 67 117.959 117.959 118.517 -0.558 18801 372 1 1 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.316 -0.191 18801 373 1 1 . 1 1 67 67 ALA C C 67 174.155 174.155 176.595 -2.440 18801 374 1 1 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.230 -0.123 18801 375 1 1 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.568 -0.346 18801 376 1 1 . 1 1 67 67 ALA H H 67 6.805 6.805 7.960 -1.155 18801 377 1 1 . 1 1 68 68 ALA N N 68 120.884 120.884 120.815 0.069 18801 378 1 1 . 1 1 68 68 ALA HA H 68 3.673 3.673 3.960 -0.287 18801 379 1 1 . 1 1 68 68 ALA C C 68 175.535 175.535 176.939 -1.404 18801 380 1 1 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.874 -0.550 18801 381 1 1 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.271 -4.316 18801 382 1 1 . 1 1 68 68 ALA H H 68 8.836 8.836 6.839 1.997 18801 383 1 1 . 1 1 69 69 PHE N N 69 110.173 110.173 111.325 -1.152 18801 384 1 1 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.859 -0.857 18801 385 1 1 . 1 1 69 69 PHE C C 69 178.751 178.751 175.969 2.782 18801 386 1 1 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.080 2.400 18801 387 1 1 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.414 -4.586 18801 388 1 1 . 1 1 69 69 PHE H H 69 8.087 8.087 6.732 1.355 18801 389 1 1 . 1 1 70 70 LYS N N 70 116.963 116.963 120.508 -3.545 18801 390 1 1 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.343 0.035 18801 391 1 1 . 1 1 70 70 LYS C C 70 177.534 177.534 176.816 0.718 18801 392 1 1 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.323 -3.721 18801 393 1 1 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.233 -1.128 18801 394 1 1 . 1 1 70 70 LYS H H 70 6.997 6.997 8.199 -1.202 18801 395 1 1 . 1 1 71 71 LEU N N 71 118.952 118.952 119.136 -0.184 18801 396 1 1 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.279 -0.085 18801 397 1 1 . 1 1 71 71 LEU C C 71 176.388 176.388 177.296 -0.908 18801 398 1 1 . 1 1 71 71 LEU CA C 71 51.970 51.970 54.440 -2.470 18801 399 1 1 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.645 -2.703 18801 400 1 1 . 1 1 71 71 LEU H H 71 6.933 6.933 7.547 -0.614 18801 401 1 1 . 1 1 72 72 GLN N N 72 121.738 121.738 119.142 2.596 18801 402 1 1 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.382 -0.062 18801 403 1 1 . 1 1 72 72 GLN C C 72 177.973 177.973 175.519 2.454 18801 404 1 1 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.530 -3.308 18801 405 1 1 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.179 -4.573 18801 406 1 1 . 1 1 72 72 GLN H H 72 9.040 9.040 8.337 0.703 18801 407 1 1 . 1 1 73 73 VAL N N 73 122.076 122.076 121.304 0.772 18801 408 1 1 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.838 -1.007 18801 409 1 1 . 1 1 73 73 VAL C C 73 177.702 177.702 176.774 0.928 18801 410 1 1 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.489 0.909 18801 411 1 1 . 1 1 73 73 VAL CB C 73 27.458 27.458 29.414 -1.956 18801 412 1 1 . 1 1 73 73 VAL H H 73 8.759 8.759 8.438 0.321 18801 413 1 1 . 1 1 74 74 GLY N N 74 117.298 117.298 115.491 1.807 18801 414 1 1 . 1 1 74 74 GLY C C 74 181.597 181.597 173.337 8.260 18801 415 1 1 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.416 -2.558 18801 416 1 1 . 1 1 74 74 GLY H H 74 8.626 8.626 8.222 0.404 18801 417 1 1 . 1 1 75 75 GLU N N 75 122.135 122.135 119.955 2.180 18801 418 1 1 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.604 -0.468 18801 419 1 1 . 1 1 75 75 GLU C C 75 180.891 180.891 175.539 5.352 18801 420 1 1 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.650 -1.287 18801 421 1 1 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.555 -3.146 18801 422 1 1 . 1 1 75 75 GLU H H 75 7.877 7.877 7.940 -0.063 18801 423 1 1 . 1 1 76 76 VAL N N 76 121.950 121.950 123.812 -1.862 18801 424 1 1 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.406 0.534 18801 425 1 1 . 1 1 76 76 VAL C C 76 177.920 177.920 175.830 2.090 18801 426 1 1 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.554 -4.623 18801 427 1 1 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.298 -2.257 18801 428 1 1 . 1 1 76 76 VAL H H 76 7.877 7.877 8.417 -0.540 18801 429 1 1 . 1 1 77 77 SER N N 77 125.434 125.434 121.698 3.736 18801 430 1 1 . 1 1 77 77 SER HA H 77 4.275 4.275 4.573 -0.298 18801 431 1 1 . 1 1 77 77 SER C C 77 181.544 181.544 175.062 6.482 18801 432 1 1 . 1 1 77 77 SER CA C 77 56.028 56.028 57.187 -1.159 18801 433 1 1 . 1 1 77 77 SER CB C 77 62.729 62.729 65.206 -2.477 18801 434 1 1 . 1 1 77 77 SER H H 77 9.611 9.611 8.941 0.670 18801 435 1 1 . 1 1 78 78 GLU N N 78 114.680 114.680 120.122 -5.442 18801 436 1 1 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.461 0.150 18801 437 1 1 . 1 1 78 78 GLU CA C 78 52.746 52.746 54.483 -1.737 18801 438 1 1 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.806 -4.302 18801 439 1 1 . 1 1 78 78 GLU H H 78 7.589 7.589 8.655 -1.066 18801 440 1 1 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.501 0.229 18801 441 1 1 . 1 1 79 79 PRO C C 79 177.642 177.642 175.772 1.870 18801 442 1 1 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.885 -2.407 18801 443 1 1 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.749 -2.449 18801 444 1 1 . 1 1 80 80 ILE N N 80 127.418 127.418 125.174 2.244 18801 445 1 1 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.135 0.365 18801 446 1 1 . 1 1 80 80 ILE C C 80 179.315 179.315 175.855 3.460 18801 447 1 1 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.240 -4.532 18801 448 1 1 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.061 0.057 18801 449 1 1 . 1 1 80 80 ILE H H 80 9.614 9.614 8.120 1.494 18801 450 1 1 . 1 1 81 81 LYS N N 81 129.156 129.156 130.163 -1.007 18801 451 1 1 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.157 0.119 18801 452 1 1 . 1 1 81 81 LYS C C 81 179.186 179.186 175.637 3.549 18801 453 1 1 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.726 -3.846 18801 454 1 1 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.288 -1.483 18801 455 1 1 . 1 1 81 81 LYS H H 81 8.637 8.637 8.805 -0.168 18801 456 1 1 . 1 1 82 82 SER N N 82 125.346 125.346 122.377 2.969 18801 457 1 1 . 1 1 82 82 SER HA H 82 4.836 4.836 4.774 0.062 18801 458 1 1 . 1 1 82 82 SER C C 82 179.369 179.369 173.792 5.577 18801 459 1 1 . 1 1 82 82 SER CA C 82 53.893 53.893 56.253 -2.360 18801 460 1 1 . 1 1 82 82 SER CB C 82 64.579 64.579 66.202 -1.623 18801 461 1 1 . 1 1 82 82 SER H H 82 9.532 9.532 8.163 1.369 18801 462 1 1 . 1 1 83 83 GLU N N 83 118.760 118.760 119.986 -1.226 18801 463 1 1 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.970 0.078 18801 464 1 1 . 1 1 83 83 GLU C C 83 177.803 177.803 176.552 1.251 18801 465 1 1 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.724 -3.366 18801 466 1 1 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.154 -2.809 18801 467 1 1 . 1 1 83 83 GLU H H 83 9.535 9.535 8.648 0.887 18801 468 1 1 . 1 1 84 84 PHE N N 84 118.360 118.360 117.721 0.639 18801 469 1 1 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.538 -0.010 18801 470 1 1 . 1 1 84 84 PHE C C 84 179.367 179.367 175.937 3.430 18801 471 1 1 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.705 -2.587 18801 472 1 1 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.597 -2.561 18801 473 1 1 . 1 1 84 84 PHE H H 84 8.803 8.803 7.968 0.835 18801 474 1 1 . 1 1 85 85 GLY N N 85 107.365 107.365 105.364 2.001 18801 475 1 1 . 1 1 85 85 GLY C C 85 184.805 184.805 173.070 11.735 18801 476 1 1 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.292 -2.615 18801 477 1 1 . 1 1 85 85 GLY H H 85 7.323 7.323 7.442 -0.119 18801 478 1 1 . 1 1 86 86 TYR N N 86 119.303 119.303 122.798 -3.495 18801 479 1 1 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.718 0.277 18801 480 1 1 . 1 1 86 86 TYR C C 86 180.178 180.178 175.874 4.304 18801 481 1 1 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.738 -4.362 18801 482 1 1 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.388 0.055 18801 483 1 1 . 1 1 86 86 TYR H H 86 8.990 8.990 8.062 0.928 18801 484 1 1 . 1 1 87 87 HIS N N 87 120.588 120.588 123.968 -3.380 18801 485 1 1 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.276 0.255 18801 486 1 1 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.658 -4.185 18801 487 1 1 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.610 -3.431 18801 488 1 1 . 1 1 87 87 HIS H H 87 9.791 9.791 8.742 1.049 18801 489 1 1 . 1 1 88 88 ILE N N 88 122.986 122.986 127.184 -4.198 18801 490 1 1 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.452 -0.407 18801 491 1 1 . 1 1 88 88 ILE C C 88 179.375 179.375 175.751 3.624 18801 492 1 1 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.190 0.033 18801 493 1 1 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.293 1.060 18801 494 1 1 . 1 1 88 88 ILE H H 88 9.161 9.161 8.383 0.778 18801 495 1 1 . 1 1 89 89 ILE N N 89 128.220 128.220 128.336 -0.116 18801 496 1 1 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.446 0.335 18801 497 1 1 . 1 1 89 89 ILE C C 89 181.174 181.174 175.032 6.142 18801 498 1 1 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.424 -3.696 18801 499 1 1 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.439 0.157 18801 500 1 1 . 1 1 89 89 ILE H H 89 8.568 8.568 7.855 0.713 18801 501 1 1 . 1 1 90 90 LYS N N 90 125.284 125.284 127.358 -2.074 18801 502 1 1 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.077 0.087 18801 503 1 1 . 1 1 90 90 LYS C C 90 179.565 179.565 175.507 4.058 18801 504 1 1 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.355 -2.983 18801 505 1 1 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.588 -2.933 18801 506 1 1 . 1 1 90 90 LYS H H 90 8.580 8.580 7.872 0.708 18801 507 1 1 . 1 1 91 91 ARG N N 91 126.331 126.331 127.088 -0.757 18801 508 1 1 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.502 0.515 18801 509 1 1 . 1 1 91 91 ARG C C 91 179.376 179.376 175.063 4.313 18801 510 1 1 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.473 -4.560 18801 511 1 1 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.150 -3.588 18801 512 1 1 . 1 1 91 91 ARG H H 91 7.641 7.641 8.082 -0.441 18801 513 1 1 . 1 1 92 92 PHE N N 92 127.260 127.260 124.168 3.092 18801 514 1 1 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.595 -0.089 18801 515 1 1 . 1 1 92 92 PHE C C 92 179.492 179.492 176.028 3.464 18801 516 1 1 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.520 -2.282 18801 517 1 1 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.288 -1.682 18801 518 1 1 . 1 1 92 92 PHE H H 92 9.044 9.044 8.406 0.638 18801 519 1 2 . 1 1 2 2 PRO HA H 2 4.469 4.469 5.114 -0.645 18801 520 1 2 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.945 -2.696 18801 521 1 2 . 1 1 2 2 PRO CB C 2 29.536 29.536 33.355 -3.819 18801 522 1 2 . 1 1 3 3 SER N N 3 116.356 116.356 113.348 3.008 18801 523 1 2 . 1 1 3 3 SER HA H 3 4.457 4.457 4.641 -0.184 18801 524 1 2 . 1 1 3 3 SER CA C 3 55.255 55.255 57.789 -2.534 18801 525 1 2 . 1 1 3 3 SER CB C 3 61.066 61.066 64.898 -3.832 18801 526 1 2 . 1 1 3 3 SER H H 3 8.502 8.502 8.088 0.414 18801 527 1 2 . 1 1 4 4 ASN N N 4 120.863 120.863 118.715 2.148 18801 528 1 2 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.779 -0.083 18801 529 1 2 . 1 1 4 4 ASN C C 4 180.499 180.499 174.349 6.150 18801 530 1 2 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.818 -3.082 18801 531 1 2 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.645 -3.844 18801 532 1 2 . 1 1 4 4 ASN H H 4 8.463 8.463 8.526 -0.063 18801 533 1 2 . 1 1 5 5 LYS N N 5 119.444 119.444 117.960 1.484 18801 534 1 2 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.147 -0.051 18801 535 1 2 . 1 1 5 5 LYS C C 5 179.306 179.306 174.661 4.645 18801 536 1 2 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.395 -2.446 18801 537 1 2 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.829 -3.188 18801 538 1 2 . 1 1 5 5 LYS H H 5 7.965 7.965 7.407 0.557 18801 539 1 2 . 1 1 6 6 ILE N N 6 115.941 115.941 113.563 2.378 18801 540 1 2 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.664 0.897 18801 541 1 2 . 1 1 6 6 ILE C C 6 183.130 183.130 174.473 8.657 18801 542 1 2 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.219 -2.501 18801 543 1 2 . 1 1 6 6 ILE CB C 6 39.704 39.704 41.972 -2.268 18801 544 1 2 . 1 1 6 6 ILE H H 6 8.133 8.133 7.942 0.191 18801 545 1 2 . 1 1 7 7 LYS N N 7 122.265 122.265 123.658 -1.393 18801 546 1 2 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.622 0.133 18801 547 1 2 . 1 1 7 7 LYS C C 7 177.364 177.364 176.919 0.445 18801 548 1 2 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.743 -6.515 18801 549 1 2 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.126 -1.940 18801 550 1 2 . 1 1 7 7 LYS H H 7 8.155 8.155 8.241 -0.086 18801 551 1 2 . 1 1 8 8 CYS N N 8 118.452 118.452 119.102 -0.650 18801 552 1 2 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.345 0.410 18801 553 1 2 . 1 1 8 8 CYS C C 8 181.803 181.803 172.726 9.077 18801 554 1 2 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.753 -4.153 18801 555 1 2 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.530 0.055 18801 556 1 2 . 1 1 8 8 CYS H H 8 7.243 7.243 8.571 -1.328 18801 557 1 2 . 1 1 9 9 SER N N 9 115.559 115.559 115.201 0.358 18801 558 1 2 . 1 1 9 9 SER HA H 9 5.777 5.777 5.436 0.341 18801 559 1 2 . 1 1 9 9 SER C C 9 181.609 181.609 173.351 8.258 18801 560 1 2 . 1 1 9 9 SER CA C 9 53.256 53.256 57.335 -4.079 18801 561 1 2 . 1 1 9 9 SER CB C 9 64.431 64.431 65.948 -1.518 18801 562 1 2 . 1 1 9 9 SER H H 9 9.148 9.148 8.380 0.768 18801 563 1 2 . 1 1 10 10 HIS N N 10 119.227 119.227 113.976 5.251 18801 564 1 2 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.405 1.086 18801 565 1 2 . 1 1 10 10 HIS CA C 10 51.244 51.244 56.024 -4.780 18801 566 1 2 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.466 2.182 18801 567 1 2 . 1 1 10 10 HIS H H 10 9.626 9.626 8.937 0.689 18801 568 1 2 . 1 1 11 11 ILE N N 11 121.859 121.859 121.643 0.216 18801 569 1 2 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.360 -0.952 18801 570 1 2 . 1 1 11 11 ILE C C 11 182.235 182.235 174.228 8.007 18801 571 1 2 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.161 -1.553 18801 572 1 2 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.402 -2.845 18801 573 1 2 . 1 1 11 11 ILE H H 11 8.978 8.978 8.930 0.048 18801 574 1 2 . 1 1 12 12 LEU N N 12 128.789 128.789 128.658 0.131 18801 575 1 2 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.377 -0.329 18801 576 1 2 . 1 1 12 12 LEU C C 12 180.111 180.111 176.576 3.535 18801 577 1 2 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.079 -3.550 18801 578 1 2 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.025 -0.751 18801 579 1 2 . 1 1 12 12 LEU H H 12 7.659 7.659 8.021 -0.362 18801 580 1 2 . 1 1 13 13 VAL N N 13 117.652 117.652 116.476 1.176 18801 581 1 2 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.633 0.290 18801 582 1 2 . 1 1 13 13 VAL C C 13 178.956 178.956 175.512 3.444 18801 583 1 2 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.509 -3.153 18801 584 1 2 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.660 -2.416 18801 585 1 2 . 1 1 13 13 VAL H H 13 8.916 8.916 7.739 1.177 18801 586 1 2 . 1 1 14 14 SER N N 14 115.236 115.236 114.936 0.300 18801 587 1 2 . 1 1 14 14 SER HA H 14 4.591 4.591 4.642 -0.051 18801 588 1 2 . 1 1 14 14 SER C C 14 179.440 179.440 173.858 5.582 18801 589 1 2 . 1 1 14 14 SER CA C 14 58.302 58.302 57.913 0.389 18801 590 1 2 . 1 1 14 14 SER CB C 14 61.585 61.585 62.804 -1.219 18801 591 1 2 . 1 1 14 14 SER H H 14 8.799 8.799 8.624 0.175 18801 592 1 2 . 1 1 15 15 LYS N N 15 117.100 117.100 120.441 -3.341 18801 593 1 2 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.799 0.014 18801 594 1 2 . 1 1 15 15 LYS C C 15 178.183 178.183 175.850 2.333 18801 595 1 2 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.570 -3.772 18801 596 1 2 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.711 -1.754 18801 597 1 2 . 1 1 15 15 LYS H H 15 7.749 7.749 7.638 0.111 18801 598 1 2 . 1 1 16 16 GLN N N 16 126.339 126.339 121.469 4.870 18801 599 1 2 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.485 -0.940 18801 600 1 2 . 1 1 16 16 GLN C C 16 176.604 176.604 177.888 -1.284 18801 601 1 2 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.599 -2.160 18801 602 1 2 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.722 -3.958 18801 603 1 2 . 1 1 16 16 GLN H H 16 8.810 8.810 8.839 -0.029 18801 604 1 2 . 1 1 17 17 SER N N 17 112.691 112.691 114.360 -1.669 18801 605 1 2 . 1 1 17 17 SER HA H 17 3.841 3.841 4.263 -0.422 18801 606 1 2 . 1 1 17 17 SER C C 17 176.880 176.880 175.655 1.225 18801 607 1 2 . 1 1 17 17 SER CA C 17 58.169 58.169 60.577 -2.408 18801 608 1 2 . 1 1 17 17 SER CB C 17 58.144 58.144 63.048 -4.904 18801 609 1 2 . 1 1 17 17 SER H H 17 8.637 8.637 8.238 0.399 18801 610 1 2 . 1 1 18 18 GLU N N 18 122.640 122.640 119.817 2.823 18801 611 1 2 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.221 -0.177 18801 612 1 2 . 1 1 18 18 GLU C C 18 176.035 176.035 176.936 -0.901 18801 613 1 2 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.343 -3.292 18801 614 1 2 . 1 1 18 18 GLU CB C 18 26.903 26.903 29.663 -2.760 18801 615 1 2 . 1 1 18 18 GLU H H 18 6.560 6.560 8.118 -1.558 18801 616 1 2 . 1 1 19 19 ALA N N 19 122.963 122.963 120.208 2.755 18801 617 1 2 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.264 -0.459 18801 618 1 2 . 1 1 19 19 ALA C C 19 175.728 175.728 179.428 -3.700 18801 619 1 2 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.322 -2.372 18801 620 1 2 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.384 -4.894 18801 621 1 2 . 1 1 19 19 ALA H H 19 7.435 7.435 7.481 -0.046 18801 622 1 2 . 1 1 20 20 LEU N N 20 117.683 117.683 119.424 -1.741 18801 623 1 2 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.127 -0.226 18801 624 1 2 . 1 1 20 20 LEU C C 20 174.983 174.983 177.937 -2.954 18801 625 1 2 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.120 -1.111 18801 626 1 2 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.102 -3.261 18801 627 1 2 . 1 1 20 20 LEU H H 20 8.204 8.204 8.206 -0.002 18801 628 1 2 . 1 1 21 21 ALA N N 21 122.191 122.191 121.720 0.471 18801 629 1 2 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.232 -0.088 18801 630 1 2 . 1 1 21 21 ALA C C 21 173.510 173.510 178.970 -5.460 18801 631 1 2 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.427 -2.341 18801 632 1 2 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.195 -3.333 18801 633 1 2 . 1 1 21 21 ALA H H 21 7.432 7.432 7.796 -0.364 18801 634 1 2 . 1 1 22 22 ILE N N 22 120.079 120.079 118.534 1.545 18801 635 1 2 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.787 -0.384 18801 636 1 2 . 1 1 22 22 ILE C C 22 177.128 177.128 177.416 -0.288 18801 637 1 2 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.576 -1.298 18801 638 1 2 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.217 -2.910 18801 639 1 2 . 1 1 22 22 ILE H H 22 7.649 7.649 7.404 0.245 18801 640 1 2 . 1 1 23 23 MET N N 23 118.682 118.682 114.130 4.552 18801 641 1 2 . 1 1 23 23 MET HA H 23 4.260 4.260 4.534 -0.274 18801 642 1 2 . 1 1 23 23 MET C C 23 175.086 175.086 176.183 -1.097 18801 643 1 2 . 1 1 23 23 MET CA C 23 54.737 54.737 57.094 -2.357 18801 644 1 2 . 1 1 23 23 MET CB C 23 27.240 27.240 32.236 -4.996 18801 645 1 2 . 1 1 23 23 MET H H 23 8.008 8.008 7.631 0.377 18801 646 1 2 . 1 1 24 24 GLU N N 24 118.261 118.261 119.823 -1.562 18801 647 1 2 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.387 -0.382 18801 648 1 2 . 1 1 24 24 GLU C C 24 175.157 175.157 178.062 -2.905 18801 649 1 2 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.309 -0.846 18801 650 1 2 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.657 -4.406 18801 651 1 2 . 1 1 24 24 GLU H H 24 7.527 7.527 7.899 -0.372 18801 652 1 2 . 1 1 25 25 LYS N N 25 121.138 121.138 120.607 0.531 18801 653 1 2 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.085 -0.076 18801 654 1 2 . 1 1 25 25 LYS C C 25 174.603 174.603 179.514 -4.911 18801 655 1 2 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.378 -2.517 18801 656 1 2 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.440 -2.631 18801 657 1 2 . 1 1 25 25 LYS H H 25 7.645 7.645 8.502 -0.857 18801 658 1 2 . 1 1 26 26 LEU N N 26 121.410 121.410 119.261 2.149 18801 659 1 2 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.087 0.094 18801 660 1 2 . 1 1 26 26 LEU C C 26 172.921 172.921 178.984 -6.063 18801 661 1 2 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.279 -2.372 18801 662 1 2 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.367 -2.862 18801 663 1 2 . 1 1 26 26 LEU H H 26 8.617 8.617 7.620 0.997 18801 664 1 2 . 1 1 27 27 LYS N N 27 121.975 121.975 118.983 2.992 18801 665 1 2 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.020 0.003 18801 666 1 2 . 1 1 27 27 LYS C C 27 176.493 176.493 177.854 -1.361 18801 667 1 2 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.743 -2.131 18801 668 1 2 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.807 -2.549 18801 669 1 2 . 1 1 27 27 LYS H H 27 8.239 8.239 8.121 0.118 18801 670 1 2 . 1 1 28 28 SER N N 28 113.123 113.123 111.819 1.304 18801 671 1 2 . 1 1 28 28 SER HA H 28 4.472 4.472 4.371 0.101 18801 672 1 2 . 1 1 28 28 SER C C 28 180.378 180.378 174.698 5.680 18801 673 1 2 . 1 1 28 28 SER CA C 28 56.232 56.232 59.164 -2.932 18801 674 1 2 . 1 1 28 28 SER CB C 28 60.798 60.798 64.314 -3.516 18801 675 1 2 . 1 1 28 28 SER H H 28 7.620 7.620 7.611 0.009 18801 676 1 2 . 1 1 29 29 GLY N N 29 107.497 107.497 108.607 -1.110 18801 677 1 2 . 1 1 29 29 GLY C C 29 179.552 179.552 173.898 5.654 18801 678 1 2 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.537 -2.489 18801 679 1 2 . 1 1 29 29 GLY H H 29 7.667 7.667 7.844 -0.177 18801 680 1 2 . 1 1 30 30 GLU N N 30 121.320 121.320 119.401 1.919 18801 681 1 2 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.436 -0.213 18801 682 1 2 . 1 1 30 30 GLU C C 30 178.900 178.900 175.968 2.932 18801 683 1 2 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.160 -0.958 18801 684 1 2 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.552 -3.471 18801 685 1 2 . 1 1 30 30 GLU H H 30 7.690 7.690 7.803 -0.113 18801 686 1 2 . 1 1 31 31 LYS N N 31 122.239 122.239 120.480 1.759 18801 687 1 2 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.674 -0.443 18801 688 1 2 . 1 1 31 31 LYS C C 31 177.152 177.152 177.328 -0.176 18801 689 1 2 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.442 -1.108 18801 690 1 2 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.273 -3.138 18801 691 1 2 . 1 1 31 31 LYS H H 31 8.793 8.793 8.305 0.488 18801 692 1 2 . 1 1 32 32 PHE N N 32 126.167 126.167 127.211 -1.044 18801 693 1 2 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.228 -0.593 18801 694 1 2 . 1 1 32 32 PHE C C 32 177.437 177.437 177.024 0.413 18801 695 1 2 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.963 -1.881 18801 696 1 2 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.510 -1.984 18801 697 1 2 . 1 1 32 32 PHE H H 32 9.002 9.002 9.267 -0.265 18801 698 1 2 . 1 1 33 33 GLY N N 33 103.648 103.648 106.422 -2.774 18801 699 1 2 . 1 1 33 33 GLY C C 33 179.280 179.280 175.634 3.646 18801 700 1 2 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.569 -2.410 18801 701 1 2 . 1 1 33 33 GLY H H 33 9.168 9.168 8.656 0.512 18801 702 1 2 . 1 1 34 34 LYS N N 34 120.972 120.972 121.426 -0.454 18801 703 1 2 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.085 -0.115 18801 704 1 2 . 1 1 34 34 LYS C C 34 176.326 176.326 177.460 -1.134 18801 705 1 2 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.646 -2.404 18801 706 1 2 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.347 -2.013 18801 707 1 2 . 1 1 34 34 LYS H H 34 6.642 6.642 7.725 -1.083 18801 708 1 2 . 1 1 35 35 LEU N N 35 118.154 118.154 116.002 2.152 18801 709 1 2 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.496 -0.593 18801 710 1 2 . 1 1 35 35 LEU C C 35 175.872 175.872 177.604 -1.732 18801 711 1 2 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.270 -0.778 18801 712 1 2 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.806 -4.035 18801 713 1 2 . 1 1 35 35 LEU H H 35 7.425 7.425 7.490 -0.065 18801 714 1 2 . 1 1 36 36 ALA N N 36 120.438 120.438 122.771 -2.333 18801 715 1 2 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.943 -0.253 18801 716 1 2 . 1 1 36 36 ALA C C 36 176.117 176.117 178.472 -2.355 18801 717 1 2 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.672 -2.098 18801 718 1 2 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.317 -3.586 18801 719 1 2 . 1 1 36 36 ALA H H 36 8.229 8.229 7.705 0.524 18801 720 1 2 . 1 1 37 37 LYS N N 37 116.463 116.463 114.973 1.490 18801 721 1 2 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.433 -0.386 18801 722 1 2 . 1 1 37 37 LYS C C 37 175.232 175.232 176.465 -1.233 18801 723 1 2 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.357 -0.939 18801 724 1 2 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.691 -2.734 18801 725 1 2 . 1 1 37 37 LYS H H 37 7.568 7.568 7.849 -0.281 18801 726 1 2 . 1 1 38 38 GLU N N 38 115.319 115.319 117.785 -2.466 18801 727 1 2 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.401 -0.367 18801 728 1 2 . 1 1 38 38 GLU C C 38 176.423 176.423 177.440 -1.017 18801 729 1 2 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.826 -1.057 18801 730 1 2 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.194 -2.905 18801 731 1 2 . 1 1 38 38 GLU H H 38 7.766 7.766 7.435 0.331 18801 732 1 2 . 1 1 39 39 LEU N N 39 114.689 114.689 119.963 -5.274 18801 733 1 2 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.063 0.432 18801 734 1 2 . 1 1 39 39 LEU C C 39 177.452 177.452 177.996 -0.544 18801 735 1 2 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.909 -4.864 18801 736 1 2 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.327 -0.507 18801 737 1 2 . 1 1 39 39 LEU H H 39 8.214 8.214 8.016 0.198 18801 738 1 2 . 1 1 40 40 SER N N 40 110.112 110.112 113.376 -3.264 18801 739 1 2 . 1 1 40 40 SER HA H 40 4.617 4.617 4.416 0.201 18801 740 1 2 . 1 1 40 40 SER C C 40 177.179 177.179 175.655 1.524 18801 741 1 2 . 1 1 40 40 SER CA C 40 54.102 54.102 59.454 -5.352 18801 742 1 2 . 1 1 40 40 SER CB C 40 62.559 62.559 62.589 -0.030 18801 743 1 2 . 1 1 40 40 SER H H 40 7.848 7.848 7.496 0.352 18801 744 1 2 . 1 1 41 41 ILE N N 41 119.941 119.941 119.882 0.059 18801 745 1 2 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.064 0.306 18801 746 1 2 . 1 1 41 41 ILE C C 41 178.010 178.010 175.748 2.262 18801 747 1 2 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.858 -2.980 18801 748 1 2 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.302 -3.957 18801 749 1 2 . 1 1 41 41 ILE H H 41 9.126 9.126 8.120 1.006 18801 750 1 2 . 1 1 42 42 ASP N N 42 120.547 120.547 120.963 -0.416 18801 751 1 2 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.492 0.341 18801 752 1 2 . 1 1 42 42 ASP C C 42 179.215 179.215 177.070 2.145 18801 753 1 2 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.049 -4.731 18801 754 1 2 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.703 -3.487 18801 755 1 2 . 1 1 42 42 ASP H H 42 7.476 7.476 7.893 -0.417 18801 756 1 2 . 1 1 43 43 SER N N 43 122.805 122.805 122.408 0.397 18801 757 1 2 . 1 1 43 43 SER HA H 43 4.115 4.115 4.124 -0.009 18801 758 1 2 . 1 1 43 43 SER C C 43 178.349 178.349 175.317 3.032 18801 759 1 2 . 1 1 43 43 SER CA C 43 58.425 58.425 61.316 -2.891 18801 760 1 2 . 1 1 43 43 SER CB C 43 59.904 59.904 63.430 -3.526 18801 761 1 2 . 1 1 43 43 SER H H 43 8.215 8.215 8.395 -0.180 18801 762 1 2 . 1 1 44 44 GLY N N 44 107.974 107.974 105.884 2.090 18801 763 1 2 . 1 1 44 44 GLY C C 44 179.677 179.677 173.394 6.283 18801 764 1 2 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.722 -0.911 18801 765 1 2 . 1 1 44 44 GLY H H 44 8.384 8.384 8.276 0.108 18801 766 1 2 . 1 1 45 45 SER N N 45 110.539 110.539 116.981 -6.442 18801 767 1 2 . 1 1 45 45 SER HA H 45 4.493 4.493 4.535 -0.042 18801 768 1 2 . 1 1 45 45 SER C C 45 176.530 176.530 175.375 1.155 18801 769 1 2 . 1 1 45 45 SER CA C 45 56.718 56.718 58.996 -2.278 18801 770 1 2 . 1 1 45 45 SER CB C 45 62.291 62.291 63.459 -1.169 18801 771 1 2 . 1 1 45 45 SER H H 45 7.177 7.177 7.743 -0.566 18801 772 1 2 . 1 1 46 46 ALA N N 46 132.579 132.579 126.021 6.558 18801 773 1 2 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.470 -0.732 18801 774 1 2 . 1 1 46 46 ALA C C 46 175.404 175.404 179.059 -3.655 18801 775 1 2 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.631 -0.444 18801 776 1 2 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.490 -2.553 18801 777 1 2 . 1 1 46 46 ALA H H 46 8.726 8.726 8.036 0.690 18801 778 1 2 . 1 1 47 47 LYS N N 47 111.990 111.990 117.447 -5.457 18801 779 1 2 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.222 -0.115 18801 780 1 2 . 1 1 47 47 LYS C C 47 177.450 177.450 177.148 0.302 18801 781 1 2 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.722 -2.613 18801 782 1 2 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.645 -3.796 18801 783 1 2 . 1 1 47 47 LYS H H 47 7.668 7.668 8.287 -0.619 18801 784 1 2 . 1 1 48 48 LYS N N 48 118.900 118.900 116.219 2.681 18801 785 1 2 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.572 0.031 18801 786 1 2 . 1 1 48 48 LYS C C 48 177.786 177.786 175.858 1.928 18801 787 1 2 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.922 -3.408 18801 788 1 2 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.567 -3.109 18801 789 1 2 . 1 1 48 48 LYS H H 48 7.382 7.382 7.827 -0.445 18801 790 1 2 . 1 1 49 49 ASN N N 49 115.995 115.995 117.776 -1.781 18801 791 1 2 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.295 -0.037 18801 792 1 2 . 1 1 49 49 ASN C C 49 180.354 180.354 175.647 4.707 18801 793 1 2 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.753 -2.339 18801 794 1 2 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.446 -4.124 18801 795 1 2 . 1 1 49 49 ASN H H 49 8.021 8.021 8.191 -0.170 18801 796 1 2 . 1 1 50 50 GLY N N 50 104.621 104.621 103.200 1.421 18801 797 1 2 . 1 1 50 50 GLY C C 50 180.665 180.665 173.319 7.346 18801 798 1 2 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.819 -3.286 18801 799 1 2 . 1 1 50 50 GLY H H 50 8.512 8.512 8.798 -0.286 18801 800 1 2 . 1 1 51 51 ASN N N 51 118.054 118.054 118.875 -0.821 18801 801 1 2 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.724 0.075 18801 802 1 2 . 1 1 51 51 ASN C C 51 179.848 179.848 175.945 3.903 18801 803 1 2 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.571 0.522 18801 804 1 2 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.472 -2.675 18801 805 1 2 . 1 1 51 51 ASN H H 51 7.146 7.146 8.223 -1.077 18801 806 1 2 . 1 1 52 52 LEU N N 52 126.673 126.673 119.245 7.428 18801 807 1 2 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.301 0.019 18801 808 1 2 . 1 1 52 52 LEU C C 52 176.682 176.682 177.539 -0.857 18801 809 1 2 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.286 -3.845 18801 810 1 2 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.748 -1.286 18801 811 1 2 . 1 1 52 52 LEU H H 52 8.607 8.607 7.910 0.697 18801 812 1 2 . 1 1 53 53 GLY N N 53 108.525 108.525 106.979 1.546 18801 813 1 2 . 1 1 53 53 GLY C C 53 182.708 182.708 173.989 8.719 18801 814 1 2 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.331 -3.729 18801 815 1 2 . 1 1 53 53 GLY H H 53 8.121 8.121 7.507 0.614 18801 816 1 2 . 1 1 54 54 TYR N N 54 114.992 114.992 122.649 -7.657 18801 817 1 2 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.087 0.095 18801 818 1 2 . 1 1 54 54 TYR C C 54 176.195 176.195 176.903 -0.708 18801 819 1 2 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.531 -2.505 18801 820 1 2 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.366 -1.971 18801 821 1 2 . 1 1 54 54 TYR H H 54 8.187 8.187 8.351 -0.164 18801 822 1 2 . 1 1 55 55 PHE N N 55 118.041 118.041 121.936 -3.895 18801 823 1 2 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.170 -0.067 18801 824 1 2 . 1 1 55 55 PHE C C 55 181.875 181.875 173.401 8.474 18801 825 1 2 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.035 -3.110 18801 826 1 2 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.030 -3.863 18801 827 1 2 . 1 1 55 55 PHE H H 55 9.093 9.093 8.726 0.367 18801 828 1 2 . 1 1 56 56 THR N N 56 109.577 109.577 107.651 1.926 18801 829 1 2 . 1 1 56 56 THR HA H 56 5.267 5.267 4.046 1.221 18801 830 1 2 . 1 1 56 56 THR C C 56 178.403 178.403 173.339 5.064 18801 831 1 2 . 1 1 56 56 THR CA C 56 56.522 56.522 59.647 -3.125 18801 832 1 2 . 1 1 56 56 THR CB C 56 69.673 69.673 71.216 -1.543 18801 833 1 2 . 1 1 56 56 THR H H 56 7.949 7.949 7.829 0.120 18801 834 1 2 . 1 1 57 57 LYS N N 57 121.639 121.639 121.260 0.379 18801 835 1 2 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.343 -0.348 18801 836 1 2 . 1 1 57 57 LYS C C 57 176.706 176.706 176.436 0.270 18801 837 1 2 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.368 -1.673 18801 838 1 2 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.642 -2.257 18801 839 1 2 . 1 1 57 57 LYS H H 57 8.703 8.703 8.517 0.186 18801 840 1 2 . 1 1 58 58 GLY N N 58 114.416 114.416 112.380 2.036 18801 841 1 2 . 1 1 58 58 GLY C C 58 180.079 180.079 174.820 5.259 18801 842 1 2 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.148 -2.789 18801 843 1 2 . 1 1 58 58 GLY H H 58 10.495 10.495 8.966 1.529 18801 844 1 2 . 1 1 59 59 MET N N 59 118.231 118.231 118.280 -0.049 18801 845 1 2 . 1 1 59 59 MET HA H 59 4.366 4.366 4.653 -0.287 18801 846 1 2 . 1 1 59 59 MET C C 59 178.798 178.798 175.846 2.952 18801 847 1 2 . 1 1 59 59 MET CA C 59 55.129 55.129 55.920 -0.791 18801 848 1 2 . 1 1 59 59 MET CB C 59 32.196 32.196 33.638 -1.442 18801 849 1 2 . 1 1 59 59 MET H H 59 7.681 7.681 8.053 -0.372 18801 850 1 2 . 1 1 60 60 MET N N 60 118.667 118.667 117.655 1.012 18801 851 1 2 . 1 1 60 60 MET HA H 60 4.629 4.629 4.812 -0.183 18801 852 1 2 . 1 1 60 60 MET C C 60 178.834 178.834 174.769 4.065 18801 853 1 2 . 1 1 60 60 MET CA C 60 49.108 49.108 53.931 -4.823 18801 854 1 2 . 1 1 60 60 MET CB C 60 30.952 30.952 35.400 -4.448 18801 855 1 2 . 1 1 60 60 MET H H 60 8.905 8.905 7.852 1.053 18801 856 1 2 . 1 1 61 61 VAL N N 61 114.198 114.198 116.166 -1.968 18801 857 1 2 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.533 -0.377 18801 858 1 2 . 1 1 61 61 VAL C C 61 176.731 176.731 176.488 0.243 18801 859 1 2 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.761 -0.396 18801 860 1 2 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.914 -4.233 18801 861 1 2 . 1 1 61 61 VAL H H 61 8.062 8.062 8.013 0.049 18801 862 1 2 . 1 1 62 62 LYS N N 62 124.862 124.862 122.277 2.585 18801 863 1 2 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.215 -0.066 18801 864 1 2 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.117 -1.871 18801 865 1 2 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.829 -3.679 18801 866 1 2 . 1 1 62 62 LYS H H 62 8.736 8.736 8.927 -0.191 18801 867 1 2 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.460 -0.062 18801 868 1 2 . 1 1 63 63 PRO C C 63 174.841 174.841 175.473 -0.632 18801 869 1 2 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.483 -0.555 18801 870 1 2 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.636 -1.409 18801 871 1 2 . 1 1 64 64 PHE N N 64 115.340 115.340 119.748 -4.408 18801 872 1 2 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.391 -0.757 18801 873 1 2 . 1 1 64 64 PHE C C 64 178.782 178.782 174.326 4.456 18801 874 1 2 . 1 1 64 64 PHE CA C 64 57.693 57.693 60.011 -2.318 18801 875 1 2 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.210 -2.936 18801 876 1 2 . 1 1 64 64 PHE H H 64 6.870 6.870 8.177 -1.307 18801 877 1 2 . 1 1 65 65 GLU N N 65 120.356 120.356 120.599 -0.243 18801 878 1 2 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.070 -0.118 18801 879 1 2 . 1 1 65 65 GLU C C 65 177.209 177.209 178.019 -0.810 18801 880 1 2 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.584 -1.800 18801 881 1 2 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.073 -1.984 18801 882 1 2 . 1 1 65 65 GLU H H 65 8.429 8.429 8.393 0.036 18801 883 1 2 . 1 1 66 66 ASP N N 66 117.560 117.560 119.731 -2.171 18801 884 1 2 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.247 0.056 18801 885 1 2 . 1 1 66 66 ASP C C 66 176.337 176.337 176.126 0.211 18801 886 1 2 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.530 -2.503 18801 887 1 2 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.716 -3.194 18801 888 1 2 . 1 1 66 66 ASP H H 66 8.925 8.925 7.769 1.156 18801 889 1 2 . 1 1 67 67 ALA N N 67 117.959 117.959 119.351 -1.392 18801 890 1 2 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.356 -0.231 18801 891 1 2 . 1 1 67 67 ALA C C 67 174.155 174.155 176.065 -1.910 18801 892 1 2 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.367 -0.260 18801 893 1 2 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.258 -1.036 18801 894 1 2 . 1 1 67 67 ALA H H 67 6.805 6.805 6.932 -0.127 18801 895 1 2 . 1 1 68 68 ALA N N 68 120.884 120.884 120.599 0.285 18801 896 1 2 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.052 -0.379 18801 897 1 2 . 1 1 68 68 ALA C C 68 175.535 175.535 176.516 -0.981 18801 898 1 2 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.363 -0.039 18801 899 1 2 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.548 -4.593 18801 900 1 2 . 1 1 68 68 ALA H H 68 8.836 8.836 6.866 1.970 18801 901 1 2 . 1 1 69 69 PHE N N 69 110.173 110.173 112.890 -2.717 18801 902 1 2 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.820 -0.818 18801 903 1 2 . 1 1 69 69 PHE C C 69 178.751 178.751 175.748 3.003 18801 904 1 2 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.068 2.412 18801 905 1 2 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.525 -4.697 18801 906 1 2 . 1 1 69 69 PHE H H 69 8.087 8.087 6.699 1.388 18801 907 1 2 . 1 1 70 70 LYS N N 70 116.963 116.963 121.170 -4.207 18801 908 1 2 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.440 -0.062 18801 909 1 2 . 1 1 70 70 LYS C C 70 177.534 177.534 176.183 1.351 18801 910 1 2 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.825 -3.223 18801 911 1 2 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.972 -0.867 18801 912 1 2 . 1 1 70 70 LYS H H 70 6.997 6.997 8.064 -1.067 18801 913 1 2 . 1 1 71 71 LEU N N 71 118.952 118.952 120.461 -1.509 18801 914 1 2 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.534 -0.340 18801 915 1 2 . 1 1 71 71 LEU C C 71 176.388 176.388 175.776 0.612 18801 916 1 2 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.576 -1.606 18801 917 1 2 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.546 -2.604 18801 918 1 2 . 1 1 71 71 LEU H H 71 6.933 6.933 7.351 -0.418 18801 919 1 2 . 1 1 72 72 GLN N N 72 121.738 121.738 118.473 3.265 18801 920 1 2 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.356 -0.036 18801 921 1 2 . 1 1 72 72 GLN C C 72 177.973 177.973 175.532 2.441 18801 922 1 2 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.806 -3.584 18801 923 1 2 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.049 -4.442 18801 924 1 2 . 1 1 72 72 GLN H H 72 9.040 9.040 8.259 0.781 18801 925 1 2 . 1 1 73 73 VAL N N 73 122.076 122.076 121.392 0.684 18801 926 1 2 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.816 -0.985 18801 927 1 2 . 1 1 73 73 VAL C C 73 177.702 177.702 176.412 1.290 18801 928 1 2 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.882 0.516 18801 929 1 2 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.118 -2.660 18801 930 1 2 . 1 1 73 73 VAL H H 73 8.759 8.759 8.419 0.340 18801 931 1 2 . 1 1 74 74 GLY N N 74 117.298 117.298 114.712 2.586 18801 932 1 2 . 1 1 74 74 GLY C C 74 181.597 181.597 173.569 8.028 18801 933 1 2 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.531 -2.672 18801 934 1 2 . 1 1 74 74 GLY H H 74 8.626 8.626 8.122 0.504 18801 935 1 2 . 1 1 75 75 GLU N N 75 122.135 122.135 120.122 2.013 18801 936 1 2 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.613 -0.477 18801 937 1 2 . 1 1 75 75 GLU C C 75 180.891 180.891 175.251 5.640 18801 938 1 2 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.476 -1.113 18801 939 1 2 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.404 -2.995 18801 940 1 2 . 1 1 75 75 GLU H H 75 7.877 7.877 7.919 -0.042 18801 941 1 2 . 1 1 76 76 VAL N N 76 121.950 121.950 122.845 -0.895 18801 942 1 2 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.435 0.505 18801 943 1 2 . 1 1 76 76 VAL C C 76 177.920 177.920 176.304 1.616 18801 944 1 2 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.668 -4.737 18801 945 1 2 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.892 -1.851 18801 946 1 2 . 1 1 76 76 VAL H H 76 7.877 7.877 8.374 -0.497 18801 947 1 2 . 1 1 77 77 SER N N 77 125.434 125.434 122.017 3.417 18801 948 1 2 . 1 1 77 77 SER HA H 77 4.275 4.275 4.584 -0.309 18801 949 1 2 . 1 1 77 77 SER C C 77 181.544 181.544 174.038 7.506 18801 950 1 2 . 1 1 77 77 SER CA C 77 56.028 56.028 57.340 -1.312 18801 951 1 2 . 1 1 77 77 SER CB C 77 62.729 62.729 65.112 -2.383 18801 952 1 2 . 1 1 77 77 SER H H 77 9.611 9.611 9.063 0.548 18801 953 1 2 . 1 1 78 78 GLU N N 78 114.680 114.680 118.623 -3.943 18801 954 1 2 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.640 -0.029 18801 955 1 2 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.944 -0.198 18801 956 1 2 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.663 -4.159 18801 957 1 2 . 1 1 78 78 GLU H H 78 7.589 7.589 8.596 -1.007 18801 958 1 2 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.493 0.237 18801 959 1 2 . 1 1 79 79 PRO C C 79 177.642 177.642 175.708 1.934 18801 960 1 2 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.856 -2.378 18801 961 1 2 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.716 -2.416 18801 962 1 2 . 1 1 80 80 ILE N N 80 127.418 127.418 124.836 2.582 18801 963 1 2 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.079 0.421 18801 964 1 2 . 1 1 80 80 ILE C C 80 179.315 179.315 175.998 3.317 18801 965 1 2 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.910 -5.202 18801 966 1 2 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.165 -0.047 18801 967 1 2 . 1 1 80 80 ILE H H 80 9.614 9.614 8.104 1.510 18801 968 1 2 . 1 1 81 81 LYS N N 81 129.156 129.156 130.300 -1.144 18801 969 1 2 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.225 0.051 18801 970 1 2 . 1 1 81 81 LYS C C 81 179.186 179.186 175.673 3.513 18801 971 1 2 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.772 -3.892 18801 972 1 2 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.325 -1.520 18801 973 1 2 . 1 1 81 81 LYS H H 81 8.637 8.637 8.809 -0.172 18801 974 1 2 . 1 1 82 82 SER N N 82 125.346 125.346 122.560 2.786 18801 975 1 2 . 1 1 82 82 SER HA H 82 4.836 4.836 4.801 0.035 18801 976 1 2 . 1 1 82 82 SER C C 82 179.369 179.369 173.792 5.577 18801 977 1 2 . 1 1 82 82 SER CA C 82 53.893 53.893 56.221 -2.328 18801 978 1 2 . 1 1 82 82 SER CB C 82 64.579 64.579 66.264 -1.685 18801 979 1 2 . 1 1 82 82 SER H H 82 9.532 9.532 8.264 1.268 18801 980 1 2 . 1 1 83 83 GLU N N 83 118.760 118.760 119.902 -1.142 18801 981 1 2 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.951 0.097 18801 982 1 2 . 1 1 83 83 GLU C C 83 177.803 177.803 176.292 1.511 18801 983 1 2 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.496 -3.138 18801 984 1 2 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.017 -2.671 18801 985 1 2 . 1 1 83 83 GLU H H 83 9.535 9.535 8.750 0.785 18801 986 1 2 . 1 1 84 84 PHE N N 84 118.360 118.360 118.593 -0.233 18801 987 1 2 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.586 -0.058 18801 988 1 2 . 1 1 84 84 PHE C C 84 179.367 179.367 175.512 3.855 18801 989 1 2 . 1 1 84 84 PHE CA C 84 55.118 55.118 58.188 -3.070 18801 990 1 2 . 1 1 84 84 PHE CB C 84 37.036 37.036 40.088 -3.052 18801 991 1 2 . 1 1 84 84 PHE H H 84 8.803 8.803 7.811 0.992 18801 992 1 2 . 1 1 85 85 GLY N N 85 107.365 107.365 105.520 1.845 18801 993 1 2 . 1 1 85 85 GLY C C 85 184.805 184.805 173.115 11.690 18801 994 1 2 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.306 -2.628 18801 995 1 2 . 1 1 85 85 GLY H H 85 7.323 7.323 7.456 -0.133 18801 996 1 2 . 1 1 86 86 TYR N N 86 119.303 119.303 122.951 -3.648 18801 997 1 2 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.734 0.261 18801 998 1 2 . 1 1 86 86 TYR C C 86 180.178 180.178 175.827 4.351 18801 999 1 2 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.331 -3.955 18801 1000 1 2 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.239 0.204 18801 1001 1 2 . 1 1 86 86 TYR H H 86 8.990 8.990 7.914 1.076 18801 1002 1 2 . 1 1 87 87 HIS N N 87 120.588 120.588 124.125 -3.537 18801 1003 1 2 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.181 0.350 18801 1004 1 2 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.910 -4.437 18801 1005 1 2 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.490 -3.311 18801 1006 1 2 . 1 1 87 87 HIS H H 87 9.791 9.791 8.695 1.096 18801 1007 1 2 . 1 1 88 88 ILE N N 88 122.986 122.986 127.595 -4.609 18801 1008 1 2 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.467 -0.422 18801 1009 1 2 . 1 1 88 88 ILE C C 88 179.375 179.375 175.479 3.896 18801 1010 1 2 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.920 0.303 18801 1011 1 2 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.556 0.797 18801 1012 1 2 . 1 1 88 88 ILE H H 88 9.161 9.161 8.287 0.874 18801 1013 1 2 . 1 1 89 89 ILE N N 89 128.220 128.220 128.354 -0.134 18801 1014 1 2 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.472 0.309 18801 1015 1 2 . 1 1 89 89 ILE C C 89 181.174 181.174 175.092 6.082 18801 1016 1 2 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.031 -3.303 18801 1017 1 2 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.998 -0.402 18801 1018 1 2 . 1 1 89 89 ILE H H 89 8.568 8.568 8.003 0.565 18801 1019 1 2 . 1 1 90 90 LYS N N 90 125.284 125.284 126.949 -1.665 18801 1020 1 2 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.005 0.159 18801 1021 1 2 . 1 1 90 90 LYS C C 90 179.565 179.565 175.403 4.162 18801 1022 1 2 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.176 -2.805 18801 1023 1 2 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.364 -2.708 18801 1024 1 2 . 1 1 90 90 LYS H H 90 8.580 8.580 8.487 0.093 18801 1025 1 2 . 1 1 91 91 ARG N N 91 126.331 126.331 126.898 -0.567 18801 1026 1 2 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.481 0.536 18801 1027 1 2 . 1 1 91 91 ARG C C 91 179.376 179.376 174.916 4.460 18801 1028 1 2 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.274 -4.361 18801 1029 1 2 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.234 -3.672 18801 1030 1 2 . 1 1 91 91 ARG H H 91 7.641 7.641 8.024 -0.383 18801 1031 1 2 . 1 1 92 92 PHE N N 92 127.260 127.260 123.788 3.472 18801 1032 1 2 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.562 -0.056 18801 1033 1 2 . 1 1 92 92 PHE C C 92 179.492 179.492 175.884 3.608 18801 1034 1 2 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.502 -2.264 18801 1035 1 2 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.168 -1.562 18801 1036 1 2 . 1 1 92 92 PHE H H 92 9.044 9.044 8.012 1.032 18801 1037 1 3 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.588 -0.119 18801 1038 1 3 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.658 -2.409 18801 1039 1 3 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.967 -2.431 18801 1040 1 3 . 1 1 3 3 SER N N 3 116.356 116.356 118.384 -2.028 18801 1041 1 3 . 1 1 3 3 SER HA H 3 4.457 4.457 4.574 -0.117 18801 1042 1 3 . 1 1 3 3 SER CA C 3 55.255 55.255 56.913 -1.658 18801 1043 1 3 . 1 1 3 3 SER CB C 3 61.066 61.066 64.819 -3.753 18801 1044 1 3 . 1 1 3 3 SER H H 3 8.502 8.502 8.306 0.196 18801 1045 1 3 . 1 1 4 4 ASN N N 4 120.863 120.863 118.281 2.582 18801 1046 1 3 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.659 0.037 18801 1047 1 3 . 1 1 4 4 ASN C C 4 180.499 180.499 174.588 5.911 18801 1048 1 3 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.224 -3.488 18801 1049 1 3 . 1 1 4 4 ASN CB C 4 35.801 35.801 38.896 -3.095 18801 1050 1 3 . 1 1 4 4 ASN H H 4 8.463 8.463 8.586 -0.123 18801 1051 1 3 . 1 1 5 5 LYS N N 5 119.444 119.444 116.064 3.380 18801 1052 1 3 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.060 0.036 18801 1053 1 3 . 1 1 5 5 LYS C C 5 179.306 179.306 174.879 4.427 18801 1054 1 3 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.552 -2.603 18801 1055 1 3 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.785 -4.144 18801 1056 1 3 . 1 1 5 5 LYS H H 5 7.965 7.965 7.294 0.671 18801 1057 1 3 . 1 1 6 6 ILE N N 6 115.941 115.941 113.917 2.024 18801 1058 1 3 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.722 0.839 18801 1059 1 3 . 1 1 6 6 ILE C C 6 183.130 183.130 174.480 8.650 18801 1060 1 3 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.858 -2.140 18801 1061 1 3 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.114 -2.410 18801 1062 1 3 . 1 1 6 6 ILE H H 6 8.133 8.133 7.986 0.147 18801 1063 1 3 . 1 1 7 7 LYS N N 7 122.265 122.265 123.576 -1.311 18801 1064 1 3 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.694 0.061 18801 1065 1 3 . 1 1 7 7 LYS C C 7 177.364 177.364 176.930 0.434 18801 1066 1 3 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.553 -6.325 18801 1067 1 3 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.235 -2.049 18801 1068 1 3 . 1 1 7 7 LYS H H 7 8.155 8.155 8.307 -0.152 18801 1069 1 3 . 1 1 8 8 CYS N N 8 118.452 118.452 119.307 -0.855 18801 1070 1 3 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.206 0.549 18801 1071 1 3 . 1 1 8 8 CYS C C 8 181.803 181.803 172.536 9.267 18801 1072 1 3 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.699 -4.099 18801 1073 1 3 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.423 0.162 18801 1074 1 3 . 1 1 8 8 CYS H H 8 7.243 7.243 8.435 -1.192 18801 1075 1 3 . 1 1 9 9 SER N N 9 115.559 115.559 115.152 0.407 18801 1076 1 3 . 1 1 9 9 SER HA H 9 5.777 5.777 5.362 0.415 18801 1077 1 3 . 1 1 9 9 SER C C 9 181.609 181.609 173.316 8.293 18801 1078 1 3 . 1 1 9 9 SER CA C 9 53.256 53.256 57.075 -3.820 18801 1079 1 3 . 1 1 9 9 SER CB C 9 64.431 64.431 65.687 -1.256 18801 1080 1 3 . 1 1 9 9 SER H H 9 9.148 9.148 8.402 0.746 18801 1081 1 3 . 1 1 10 10 HIS N N 10 119.227 119.227 113.980 5.247 18801 1082 1 3 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.301 1.190 18801 1083 1 3 . 1 1 10 10 HIS CA C 10 51.244 51.244 56.010 -4.766 18801 1084 1 3 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.372 2.276 18801 1085 1 3 . 1 1 10 10 HIS H H 10 9.626 9.626 8.898 0.729 18801 1086 1 3 . 1 1 11 11 ILE N N 11 121.859 121.859 121.484 0.375 18801 1087 1 3 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.361 -0.953 18801 1088 1 3 . 1 1 11 11 ILE C C 11 182.235 182.235 174.223 8.012 18801 1089 1 3 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.038 -1.430 18801 1090 1 3 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.504 -2.946 18801 1091 1 3 . 1 1 11 11 ILE H H 11 8.978 8.978 8.878 0.100 18801 1092 1 3 . 1 1 12 12 LEU N N 12 128.789 128.789 128.809 -0.020 18801 1093 1 3 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.435 -0.387 18801 1094 1 3 . 1 1 12 12 LEU C C 12 180.111 180.111 176.506 3.605 18801 1095 1 3 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.032 -3.503 18801 1096 1 3 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.169 -0.895 18801 1097 1 3 . 1 1 12 12 LEU H H 12 7.659 7.659 8.041 -0.382 18801 1098 1 3 . 1 1 13 13 VAL N N 13 117.652 117.652 119.630 -1.978 18801 1099 1 3 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.807 0.116 18801 1100 1 3 . 1 1 13 13 VAL C C 13 178.956 178.956 175.464 3.492 18801 1101 1 3 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.678 -3.322 18801 1102 1 3 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.859 -2.614 18801 1103 1 3 . 1 1 13 13 VAL H H 13 8.916 8.916 7.919 0.997 18801 1104 1 3 . 1 1 14 14 SER N N 14 115.236 115.236 114.698 0.538 18801 1105 1 3 . 1 1 14 14 SER HA H 14 4.591 4.591 4.580 0.011 18801 1106 1 3 . 1 1 14 14 SER C C 14 179.440 179.440 174.255 5.185 18801 1107 1 3 . 1 1 14 14 SER CA C 14 58.302 58.302 59.151 -0.849 18801 1108 1 3 . 1 1 14 14 SER CB C 14 61.585 61.585 63.298 -1.713 18801 1109 1 3 . 1 1 14 14 SER H H 14 8.799 8.799 8.487 0.312 18801 1110 1 3 . 1 1 15 15 LYS N N 15 117.100 117.100 119.095 -1.995 18801 1111 1 3 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.851 -0.038 18801 1112 1 3 . 1 1 15 15 LYS C C 15 178.183 178.183 176.499 1.684 18801 1113 1 3 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.209 -3.412 18801 1114 1 3 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.106 -1.150 18801 1115 1 3 . 1 1 15 15 LYS H H 15 7.749 7.749 7.611 0.138 18801 1116 1 3 . 1 1 16 16 GLN N N 16 126.339 126.339 121.703 4.636 18801 1117 1 3 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.542 -0.997 18801 1118 1 3 . 1 1 16 16 GLN C C 16 176.604 176.604 177.771 -1.167 18801 1119 1 3 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.417 -1.978 18801 1120 1 3 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.722 -2.958 18801 1121 1 3 . 1 1 16 16 GLN H H 16 8.810 8.810 9.193 -0.383 18801 1122 1 3 . 1 1 17 17 SER N N 17 112.691 112.691 114.143 -1.452 18801 1123 1 3 . 1 1 17 17 SER HA H 17 3.841 3.841 4.212 -0.371 18801 1124 1 3 . 1 1 17 17 SER C C 17 176.880 176.880 175.632 1.248 18801 1125 1 3 . 1 1 17 17 SER CA C 17 58.169 58.169 60.816 -2.647 18801 1126 1 3 . 1 1 17 17 SER CB C 17 58.144 58.144 62.624 -4.480 18801 1127 1 3 . 1 1 17 17 SER H H 17 8.637 8.637 8.518 0.119 18801 1128 1 3 . 1 1 18 18 GLU N N 18 122.640 122.640 120.427 2.213 18801 1129 1 3 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.317 -0.273 18801 1130 1 3 . 1 1 18 18 GLU C C 18 176.035 176.035 177.766 -1.731 18801 1131 1 3 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.860 -2.809 18801 1132 1 3 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.285 -3.382 18801 1133 1 3 . 1 1 18 18 GLU H H 18 6.560 6.560 7.655 -1.095 18801 1134 1 3 . 1 1 19 19 ALA N N 19 122.963 122.963 123.214 -0.251 18801 1135 1 3 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.097 -0.292 18801 1136 1 3 . 1 1 19 19 ALA C C 19 175.728 175.728 179.395 -3.667 18801 1137 1 3 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.124 -3.174 18801 1138 1 3 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.741 -4.251 18801 1139 1 3 . 1 1 19 19 ALA H H 19 7.435 7.435 7.712 -0.277 18801 1140 1 3 . 1 1 20 20 LEU N N 20 117.683 117.683 118.110 -0.427 18801 1141 1 3 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.056 -0.155 18801 1142 1 3 . 1 1 20 20 LEU C C 20 174.983 174.983 178.220 -3.237 18801 1143 1 3 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.315 -1.306 18801 1144 1 3 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.967 -3.126 18801 1145 1 3 . 1 1 20 20 LEU H H 20 8.204 8.204 8.271 -0.067 18801 1146 1 3 . 1 1 21 21 ALA N N 21 122.191 122.191 121.950 0.241 18801 1147 1 3 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.170 -0.026 18801 1148 1 3 . 1 1 21 21 ALA C C 21 173.510 173.510 178.875 -5.365 18801 1149 1 3 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.301 -2.215 18801 1150 1 3 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.037 -3.175 18801 1151 1 3 . 1 1 21 21 ALA H H 21 7.432 7.432 7.294 0.138 18801 1152 1 3 . 1 1 22 22 ILE N N 22 120.079 120.079 118.404 1.675 18801 1153 1 3 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.909 -0.506 18801 1154 1 3 . 1 1 22 22 ILE C C 22 177.128 177.128 176.986 0.142 18801 1155 1 3 . 1 1 22 22 ILE CA C 22 62.278 62.278 62.755 -0.477 18801 1156 1 3 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.151 -2.844 18801 1157 1 3 . 1 1 22 22 ILE H H 22 7.649 7.649 7.622 0.027 18801 1158 1 3 . 1 1 23 23 MET N N 23 118.682 118.682 113.425 5.257 18801 1159 1 3 . 1 1 23 23 MET HA H 23 4.260 4.260 4.581 -0.321 18801 1160 1 3 . 1 1 23 23 MET C C 23 175.086 175.086 175.949 -0.863 18801 1161 1 3 . 1 1 23 23 MET CA C 23 54.737 54.737 56.833 -2.096 18801 1162 1 3 . 1 1 23 23 MET CB C 23 27.240 27.240 33.174 -5.934 18801 1163 1 3 . 1 1 23 23 MET H H 23 8.008 8.008 7.465 0.543 18801 1164 1 3 . 1 1 24 24 GLU N N 24 118.261 118.261 117.477 0.784 18801 1165 1 3 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.359 -0.354 18801 1166 1 3 . 1 1 24 24 GLU C C 24 175.157 175.157 177.868 -2.711 18801 1167 1 3 . 1 1 24 24 GLU CA C 24 56.463 56.463 56.892 -0.430 18801 1168 1 3 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.195 -3.944 18801 1169 1 3 . 1 1 24 24 GLU H H 24 7.527 7.527 7.349 0.178 18801 1170 1 3 . 1 1 25 25 LYS N N 25 121.138 121.138 120.711 0.427 18801 1171 1 3 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.120 -0.111 18801 1172 1 3 . 1 1 25 25 LYS C C 25 174.603 174.603 178.794 -4.191 18801 1173 1 3 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.404 -1.542 18801 1174 1 3 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.281 -2.472 18801 1175 1 3 . 1 1 25 25 LYS H H 25 7.645 7.645 8.054 -0.409 18801 1176 1 3 . 1 1 26 26 LEU N N 26 121.410 121.410 118.623 2.787 18801 1177 1 3 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.149 0.032 18801 1178 1 3 . 1 1 26 26 LEU C C 26 172.921 172.921 178.720 -5.799 18801 1179 1 3 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.349 -2.442 18801 1180 1 3 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.312 -2.807 18801 1181 1 3 . 1 1 26 26 LEU H H 26 8.617 8.617 7.934 0.683 18801 1182 1 3 . 1 1 27 27 LYS N N 27 121.975 121.975 118.043 3.932 18801 1183 1 3 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.047 -0.024 18801 1184 1 3 . 1 1 27 27 LYS C C 27 176.493 176.493 177.354 -0.861 18801 1185 1 3 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.620 -2.007 18801 1186 1 3 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.303 -3.045 18801 1187 1 3 . 1 1 27 27 LYS H H 27 8.239 8.239 7.702 0.537 18801 1188 1 3 . 1 1 28 28 SER N N 28 113.123 113.123 111.799 1.324 18801 1189 1 3 . 1 1 28 28 SER HA H 28 4.472 4.472 4.405 0.067 18801 1190 1 3 . 1 1 28 28 SER C C 28 180.378 180.378 174.784 5.594 18801 1191 1 3 . 1 1 28 28 SER CA C 28 56.232 56.232 59.143 -2.911 18801 1192 1 3 . 1 1 28 28 SER CB C 28 60.798 60.798 64.429 -3.631 18801 1193 1 3 . 1 1 28 28 SER H H 28 7.620 7.620 7.844 -0.224 18801 1194 1 3 . 1 1 29 29 GLY N N 29 107.497 107.497 108.464 -0.967 18801 1195 1 3 . 1 1 29 29 GLY C C 29 179.552 179.552 173.473 6.079 18801 1196 1 3 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.610 -2.562 18801 1197 1 3 . 1 1 29 29 GLY H H 29 7.667 7.667 7.746 -0.079 18801 1198 1 3 . 1 1 30 30 GLU N N 30 121.320 121.320 119.071 2.249 18801 1199 1 3 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.502 -0.279 18801 1200 1 3 . 1 1 30 30 GLU C C 30 178.900 178.900 175.629 3.271 18801 1201 1 3 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.943 -0.741 18801 1202 1 3 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.773 -3.692 18801 1203 1 3 . 1 1 30 30 GLU H H 30 7.690 7.690 7.668 0.022 18801 1204 1 3 . 1 1 31 31 LYS N N 31 122.239 122.239 120.032 2.207 18801 1205 1 3 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.687 -0.456 18801 1206 1 3 . 1 1 31 31 LYS C C 31 177.152 177.152 176.664 0.488 18801 1207 1 3 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.483 -1.149 18801 1208 1 3 . 1 1 31 31 LYS CB C 31 30.136 30.136 34.015 -3.879 18801 1209 1 3 . 1 1 31 31 LYS H H 31 8.793 8.793 8.232 0.561 18801 1210 1 3 . 1 1 32 32 PHE N N 32 126.167 126.167 125.680 0.487 18801 1211 1 3 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.197 -0.562 18801 1212 1 3 . 1 1 32 32 PHE C C 32 177.437 177.437 177.211 0.226 18801 1213 1 3 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.185 -2.103 18801 1214 1 3 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.547 -2.021 18801 1215 1 3 . 1 1 32 32 PHE H H 32 9.002 9.002 9.083 -0.081 18801 1216 1 3 . 1 1 33 33 GLY N N 33 103.648 103.648 106.061 -2.413 18801 1217 1 3 . 1 1 33 33 GLY C C 33 179.280 179.280 175.946 3.334 18801 1218 1 3 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.731 -2.572 18801 1219 1 3 . 1 1 33 33 GLY H H 33 9.168 9.168 8.704 0.465 18801 1220 1 3 . 1 1 34 34 LYS N N 34 120.972 120.972 120.917 0.055 18801 1221 1 3 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.094 -0.124 18801 1222 1 3 . 1 1 34 34 LYS C C 34 176.326 176.326 177.278 -0.952 18801 1223 1 3 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.489 -2.247 18801 1224 1 3 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.353 -2.018 18801 1225 1 3 . 1 1 34 34 LYS H H 34 6.642 6.642 7.450 -0.808 18801 1226 1 3 . 1 1 35 35 LEU N N 35 118.154 118.154 116.355 1.799 18801 1227 1 3 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.424 -0.521 18801 1228 1 3 . 1 1 35 35 LEU C C 35 175.872 175.872 177.595 -1.723 18801 1229 1 3 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.394 -0.902 18801 1230 1 3 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.686 -3.916 18801 1231 1 3 . 1 1 35 35 LEU H H 35 7.425 7.425 7.526 -0.101 18801 1232 1 3 . 1 1 36 36 ALA N N 36 120.438 120.438 122.859 -2.421 18801 1233 1 3 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.954 -0.264 18801 1234 1 3 . 1 1 36 36 ALA C C 36 176.117 176.117 178.276 -2.159 18801 1235 1 3 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.532 -1.958 18801 1236 1 3 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.406 -3.675 18801 1237 1 3 . 1 1 36 36 ALA H H 36 8.229 8.229 7.960 0.269 18801 1238 1 3 . 1 1 37 37 LYS N N 37 116.463 116.463 116.873 -0.410 18801 1239 1 3 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.388 -0.341 18801 1240 1 3 . 1 1 37 37 LYS C C 37 175.232 175.232 176.226 -0.994 18801 1241 1 3 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.052 -0.634 18801 1242 1 3 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.427 -2.470 18801 1243 1 3 . 1 1 37 37 LYS H H 37 7.568 7.568 7.893 -0.325 18801 1244 1 3 . 1 1 38 38 GLU N N 38 115.319 115.319 117.670 -2.351 18801 1245 1 3 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.377 -0.343 18801 1246 1 3 . 1 1 38 38 GLU C C 38 176.423 176.423 177.482 -1.059 18801 1247 1 3 . 1 1 38 38 GLU CA C 38 55.769 55.769 57.062 -1.293 18801 1248 1 3 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.331 -3.042 18801 1249 1 3 . 1 1 38 38 GLU H H 38 7.766 7.766 7.498 0.268 18801 1250 1 3 . 1 1 39 39 LEU N N 39 114.689 114.689 119.924 -5.235 18801 1251 1 3 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.092 0.403 18801 1252 1 3 . 1 1 39 39 LEU C C 39 177.452 177.452 177.807 -0.355 18801 1253 1 3 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.830 -4.785 18801 1254 1 3 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.358 -0.538 18801 1255 1 3 . 1 1 39 39 LEU H H 39 8.214 8.214 7.994 0.220 18801 1256 1 3 . 1 1 40 40 SER N N 40 110.112 110.112 113.574 -3.462 18801 1257 1 3 . 1 1 40 40 SER HA H 40 4.617 4.617 4.399 0.218 18801 1258 1 3 . 1 1 40 40 SER C C 40 177.179 177.179 175.627 1.552 18801 1259 1 3 . 1 1 40 40 SER CA C 40 54.102 54.102 59.585 -5.483 18801 1260 1 3 . 1 1 40 40 SER CB C 40 62.559 62.559 62.655 -0.096 18801 1261 1 3 . 1 1 40 40 SER H H 40 7.848 7.848 7.512 0.336 18801 1262 1 3 . 1 1 41 41 ILE N N 41 119.941 119.941 119.877 0.064 18801 1263 1 3 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.039 0.331 18801 1264 1 3 . 1 1 41 41 ILE C C 41 178.010 178.010 175.779 2.231 18801 1265 1 3 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.890 -3.012 18801 1266 1 3 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.272 -3.927 18801 1267 1 3 . 1 1 41 41 ILE H H 41 9.126 9.126 8.108 1.018 18801 1268 1 3 . 1 1 42 42 ASP N N 42 120.547 120.547 121.120 -0.573 18801 1269 1 3 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.468 0.365 18801 1270 1 3 . 1 1 42 42 ASP C C 42 179.215 179.215 177.018 2.197 18801 1271 1 3 . 1 1 42 42 ASP CA C 42 49.318 49.318 53.852 -4.534 18801 1272 1 3 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.842 -3.626 18801 1273 1 3 . 1 1 42 42 ASP H H 42 7.476 7.476 7.870 -0.394 18801 1274 1 3 . 1 1 43 43 SER N N 43 122.805 122.805 123.646 -0.841 18801 1275 1 3 . 1 1 43 43 SER HA H 43 4.115 4.115 4.190 -0.075 18801 1276 1 3 . 1 1 43 43 SER C C 43 178.349 178.349 176.061 2.288 18801 1277 1 3 . 1 1 43 43 SER CA C 43 58.425 58.425 60.435 -2.010 18801 1278 1 3 . 1 1 43 43 SER CB C 43 59.904 59.904 63.080 -3.176 18801 1279 1 3 . 1 1 43 43 SER H H 43 8.215 8.215 8.442 -0.227 18801 1280 1 3 . 1 1 44 44 GLY N N 44 107.974 107.974 109.198 -1.224 18801 1281 1 3 . 1 1 44 44 GLY C C 44 179.677 179.677 173.253 6.424 18801 1282 1 3 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.588 -0.777 18801 1283 1 3 . 1 1 44 44 GLY H H 44 8.384 8.384 8.446 -0.062 18801 1284 1 3 . 1 1 45 45 SER N N 45 110.539 110.539 117.049 -6.510 18801 1285 1 3 . 1 1 45 45 SER HA H 45 4.493 4.493 4.510 -0.017 18801 1286 1 3 . 1 1 45 45 SER C C 45 176.530 176.530 175.090 1.440 18801 1287 1 3 . 1 1 45 45 SER CA C 45 56.718 56.718 59.111 -2.393 18801 1288 1 3 . 1 1 45 45 SER CB C 45 62.291 62.291 63.411 -1.120 18801 1289 1 3 . 1 1 45 45 SER H H 45 7.177 7.177 7.767 -0.590 18801 1290 1 3 . 1 1 46 46 ALA N N 46 132.579 132.579 125.597 6.982 18801 1291 1 3 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.526 -0.788 18801 1292 1 3 . 1 1 46 46 ALA C C 46 175.404 175.404 179.227 -3.823 18801 1293 1 3 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.592 -0.405 18801 1294 1 3 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.462 -2.525 18801 1295 1 3 . 1 1 46 46 ALA H H 46 8.726 8.726 8.008 0.719 18801 1296 1 3 . 1 1 47 47 LYS N N 47 111.990 111.990 116.916 -4.926 18801 1297 1 3 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.223 -0.116 18801 1298 1 3 . 1 1 47 47 LYS C C 47 177.450 177.450 177.363 0.087 18801 1299 1 3 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.633 -2.524 18801 1300 1 3 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.633 -3.784 18801 1301 1 3 . 1 1 47 47 LYS H H 47 7.668 7.668 8.243 -0.575 18801 1302 1 3 . 1 1 48 48 LYS N N 48 118.900 118.900 117.039 1.861 18801 1303 1 3 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.563 0.040 18801 1304 1 3 . 1 1 48 48 LYS C C 48 177.786 177.786 175.655 2.131 18801 1305 1 3 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.851 -3.337 18801 1306 1 3 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.730 -3.272 18801 1307 1 3 . 1 1 48 48 LYS H H 48 7.382 7.382 7.682 -0.300 18801 1308 1 3 . 1 1 49 49 ASN N N 49 115.995 115.995 117.792 -1.797 18801 1309 1 3 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.313 -0.055 18801 1310 1 3 . 1 1 49 49 ASN C C 49 180.354 180.354 175.761 4.593 18801 1311 1 3 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.624 -2.210 18801 1312 1 3 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.573 -4.251 18801 1313 1 3 . 1 1 49 49 ASN H H 49 8.021 8.021 8.245 -0.224 18801 1314 1 3 . 1 1 50 50 GLY N N 50 104.621 104.621 102.123 2.498 18801 1315 1 3 . 1 1 50 50 GLY C C 50 180.665 180.665 173.461 7.204 18801 1316 1 3 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.896 -3.363 18801 1317 1 3 . 1 1 50 50 GLY H H 50 8.512 8.512 8.858 -0.346 18801 1318 1 3 . 1 1 51 51 ASN N N 51 118.054 118.054 118.888 -0.834 18801 1319 1 3 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.653 0.146 18801 1320 1 3 . 1 1 51 51 ASN C C 51 179.848 179.848 176.130 3.718 18801 1321 1 3 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.264 0.829 18801 1322 1 3 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.478 -2.681 18801 1323 1 3 . 1 1 51 51 ASN H H 51 7.146 7.146 8.067 -0.921 18801 1324 1 3 . 1 1 52 52 LEU N N 52 126.673 126.673 120.575 6.098 18801 1325 1 3 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.281 0.039 18801 1326 1 3 . 1 1 52 52 LEU C C 52 176.682 176.682 177.377 -0.695 18801 1327 1 3 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.177 -3.736 18801 1328 1 3 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.723 -1.261 18801 1329 1 3 . 1 1 52 52 LEU H H 52 8.607 8.607 7.672 0.935 18801 1330 1 3 . 1 1 53 53 GLY N N 53 108.525 108.525 106.892 1.633 18801 1331 1 3 . 1 1 53 53 GLY C C 53 182.708 182.708 173.869 8.839 18801 1332 1 3 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.279 -3.678 18801 1333 1 3 . 1 1 53 53 GLY H H 53 8.121 8.121 7.424 0.697 18801 1334 1 3 . 1 1 54 54 TYR N N 54 114.992 114.992 122.972 -7.980 18801 1335 1 3 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.115 0.067 18801 1336 1 3 . 1 1 54 54 TYR C C 54 176.195 176.195 176.542 -0.347 18801 1337 1 3 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.622 -2.596 18801 1338 1 3 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.382 -1.987 18801 1339 1 3 . 1 1 54 54 TYR H H 54 8.187 8.187 8.475 -0.288 18801 1340 1 3 . 1 1 55 55 PHE N N 55 118.041 118.041 123.471 -5.430 18801 1341 1 3 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.014 0.089 18801 1342 1 3 . 1 1 55 55 PHE C C 55 181.875 181.875 173.327 8.548 18801 1343 1 3 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.300 -3.375 18801 1344 1 3 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.520 -3.353 18801 1345 1 3 . 1 1 55 55 PHE H H 55 9.093 9.093 8.577 0.516 18801 1346 1 3 . 1 1 56 56 THR N N 56 109.577 109.577 108.232 1.345 18801 1347 1 3 . 1 1 56 56 THR HA H 56 5.267 5.267 4.078 1.189 18801 1348 1 3 . 1 1 56 56 THR C C 56 178.403 178.403 173.709 4.694 18801 1349 1 3 . 1 1 56 56 THR CA C 56 56.522 56.522 59.796 -3.274 18801 1350 1 3 . 1 1 56 56 THR CB C 56 69.673 69.673 71.404 -1.731 18801 1351 1 3 . 1 1 56 56 THR H H 56 7.949 7.949 7.863 0.086 18801 1352 1 3 . 1 1 57 57 LYS N N 57 121.639 121.639 121.859 -0.220 18801 1353 1 3 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.247 -0.252 18801 1354 1 3 . 1 1 57 57 LYS C C 57 176.706 176.706 176.421 0.285 18801 1355 1 3 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.604 -1.909 18801 1356 1 3 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.235 -1.851 18801 1357 1 3 . 1 1 57 57 LYS H H 57 8.703 8.703 8.643 0.060 18801 1358 1 3 . 1 1 58 58 GLY N N 58 114.416 114.416 112.133 2.283 18801 1359 1 3 . 1 1 58 58 GLY C C 58 180.079 180.079 175.005 5.074 18801 1360 1 3 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.151 -2.792 18801 1361 1 3 . 1 1 58 58 GLY H H 58 10.495 10.495 8.532 1.963 18801 1362 1 3 . 1 1 59 59 MET N N 59 118.231 118.231 118.276 -0.045 18801 1363 1 3 . 1 1 59 59 MET HA H 59 4.366 4.366 4.555 -0.189 18801 1364 1 3 . 1 1 59 59 MET C C 59 178.798 178.798 175.525 3.273 18801 1365 1 3 . 1 1 59 59 MET CA C 59 55.129 55.129 55.703 -0.574 18801 1366 1 3 . 1 1 59 59 MET CB C 59 32.196 32.196 32.947 -0.751 18801 1367 1 3 . 1 1 59 59 MET H H 59 7.681 7.681 7.962 -0.281 18801 1368 1 3 . 1 1 60 60 MET N N 60 118.667 118.667 117.312 1.355 18801 1369 1 3 . 1 1 60 60 MET HA H 60 4.629 4.629 4.782 -0.153 18801 1370 1 3 . 1 1 60 60 MET C C 60 178.834 178.834 175.190 3.644 18801 1371 1 3 . 1 1 60 60 MET CA C 60 49.108 49.108 53.624 -4.516 18801 1372 1 3 . 1 1 60 60 MET CB C 60 30.952 30.952 34.994 -4.042 18801 1373 1 3 . 1 1 60 60 MET H H 60 8.905 8.905 7.534 1.371 18801 1374 1 3 . 1 1 61 61 VAL N N 61 114.198 114.198 116.776 -2.578 18801 1375 1 3 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.410 -0.254 18801 1376 1 3 . 1 1 61 61 VAL C C 61 176.731 176.731 176.314 0.417 18801 1377 1 3 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.199 -0.834 18801 1378 1 3 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.803 -4.122 18801 1379 1 3 . 1 1 61 61 VAL H H 61 8.062 8.062 8.012 0.050 18801 1380 1 3 . 1 1 62 62 LYS N N 62 124.862 124.862 122.375 2.487 18801 1381 1 3 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.203 -0.054 18801 1382 1 3 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.107 -1.861 18801 1383 1 3 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.807 -3.657 18801 1384 1 3 . 1 1 62 62 LYS H H 62 8.736 8.736 8.872 -0.136 18801 1385 1 3 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.352 0.046 18801 1386 1 3 . 1 1 63 63 PRO C C 63 174.841 174.841 175.464 -0.623 18801 1387 1 3 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.508 -0.580 18801 1388 1 3 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.809 -1.583 18801 1389 1 3 . 1 1 64 64 PHE N N 64 115.340 115.340 118.510 -3.170 18801 1390 1 3 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.420 -0.786 18801 1391 1 3 . 1 1 64 64 PHE C C 64 178.782 178.782 174.525 4.257 18801 1392 1 3 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.397 -1.704 18801 1393 1 3 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.019 -2.745 18801 1394 1 3 . 1 1 64 64 PHE H H 64 6.870 6.870 7.998 -1.128 18801 1395 1 3 . 1 1 65 65 GLU N N 65 120.356 120.356 120.453 -0.097 18801 1396 1 3 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.134 -0.182 18801 1397 1 3 . 1 1 65 65 GLU C C 65 177.209 177.209 178.094 -0.885 18801 1398 1 3 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.744 -1.960 18801 1399 1 3 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.058 -1.969 18801 1400 1 3 . 1 1 65 65 GLU H H 65 8.429 8.429 8.342 0.087 18801 1401 1 3 . 1 1 66 66 ASP N N 66 117.560 117.560 120.093 -2.533 18801 1402 1 3 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.254 0.049 18801 1403 1 3 . 1 1 66 66 ASP C C 66 176.337 176.337 176.759 -0.422 18801 1404 1 3 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.889 -2.862 18801 1405 1 3 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.664 -3.142 18801 1406 1 3 . 1 1 66 66 ASP H H 66 8.925 8.925 7.608 1.317 18801 1407 1 3 . 1 1 67 67 ALA N N 67 117.959 117.959 119.003 -1.044 18801 1408 1 3 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.282 -0.157 18801 1409 1 3 . 1 1 67 67 ALA C C 67 174.155 174.155 176.348 -2.193 18801 1410 1 3 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.283 -0.176 18801 1411 1 3 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.797 -0.575 18801 1412 1 3 . 1 1 67 67 ALA H H 67 6.805 6.805 7.988 -1.183 18801 1413 1 3 . 1 1 68 68 ALA N N 68 120.884 120.884 120.814 0.070 18801 1414 1 3 . 1 1 68 68 ALA HA H 68 3.673 3.673 3.976 -0.303 18801 1415 1 3 . 1 1 68 68 ALA C C 68 175.535 175.535 176.939 -1.404 18801 1416 1 3 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.855 -0.531 18801 1417 1 3 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.325 -4.370 18801 1418 1 3 . 1 1 68 68 ALA H H 68 8.836 8.836 6.768 2.068 18801 1419 1 3 . 1 1 69 69 PHE N N 69 110.173 110.173 111.520 -1.347 18801 1420 1 3 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.848 -0.846 18801 1421 1 3 . 1 1 69 69 PHE C C 69 178.751 178.751 176.039 2.712 18801 1422 1 3 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.069 2.411 18801 1423 1 3 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.322 -4.494 18801 1424 1 3 . 1 1 69 69 PHE H H 69 8.087 8.087 6.702 1.385 18801 1425 1 3 . 1 1 70 70 LYS N N 70 116.963 116.963 120.447 -3.484 18801 1426 1 3 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.348 0.030 18801 1427 1 3 . 1 1 70 70 LYS C C 70 177.534 177.534 176.782 0.752 18801 1428 1 3 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.286 -3.684 18801 1429 1 3 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.207 -1.102 18801 1430 1 3 . 1 1 70 70 LYS H H 70 6.997 6.997 8.204 -1.207 18801 1431 1 3 . 1 1 71 71 LEU N N 71 118.952 118.952 120.106 -1.154 18801 1432 1 3 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.298 -0.104 18801 1433 1 3 . 1 1 71 71 LEU C C 71 176.388 176.388 176.898 -0.510 18801 1434 1 3 . 1 1 71 71 LEU CA C 71 51.970 51.970 54.771 -2.801 18801 1435 1 3 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.388 -2.446 18801 1436 1 3 . 1 1 71 71 LEU H H 71 6.933 6.933 7.451 -0.518 18801 1437 1 3 . 1 1 72 72 GLN N N 72 121.738 121.738 119.427 2.311 18801 1438 1 3 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.488 -0.168 18801 1439 1 3 . 1 1 72 72 GLN C C 72 177.973 177.973 175.209 2.764 18801 1440 1 3 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.617 -3.396 18801 1441 1 3 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.131 -4.524 18801 1442 1 3 . 1 1 72 72 GLN H H 72 9.040 9.040 8.352 0.688 18801 1443 1 3 . 1 1 73 73 VAL N N 73 122.076 122.076 120.723 1.353 18801 1444 1 3 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.791 -0.960 18801 1445 1 3 . 1 1 73 73 VAL C C 73 177.702 177.702 176.169 1.533 18801 1446 1 3 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.533 -0.135 18801 1447 1 3 . 1 1 73 73 VAL CB C 73 27.458 27.458 31.481 -4.023 18801 1448 1 3 . 1 1 73 73 VAL H H 73 8.759 8.759 8.379 0.380 18801 1449 1 3 . 1 1 74 74 GLY N N 74 117.298 117.298 114.530 2.768 18801 1450 1 3 . 1 1 74 74 GLY C C 74 181.597 181.597 173.528 8.069 18801 1451 1 3 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.623 -2.764 18801 1452 1 3 . 1 1 74 74 GLY H H 74 8.626 8.626 8.284 0.342 18801 1453 1 3 . 1 1 75 75 GLU N N 75 122.135 122.135 120.182 1.953 18801 1454 1 3 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.685 -0.549 18801 1455 1 3 . 1 1 75 75 GLU C C 75 180.891 180.891 175.670 5.221 18801 1456 1 3 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.546 -1.183 18801 1457 1 3 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.088 -2.679 18801 1458 1 3 . 1 1 75 75 GLU H H 75 7.877 7.877 8.076 -0.199 18801 1459 1 3 . 1 1 76 76 VAL N N 76 121.950 121.950 124.699 -2.749 18801 1460 1 3 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.484 0.456 18801 1461 1 3 . 1 1 76 76 VAL C C 76 177.920 177.920 176.055 1.865 18801 1462 1 3 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.894 -4.963 18801 1463 1 3 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.796 -1.755 18801 1464 1 3 . 1 1 76 76 VAL H H 76 7.877 7.877 8.538 -0.661 18801 1465 1 3 . 1 1 77 77 SER N N 77 125.434 125.434 121.921 3.513 18801 1466 1 3 . 1 1 77 77 SER HA H 77 4.275 4.275 4.600 -0.325 18801 1467 1 3 . 1 1 77 77 SER C C 77 181.544 181.544 173.841 7.703 18801 1468 1 3 . 1 1 77 77 SER CA C 77 56.028 56.028 57.963 -1.935 18801 1469 1 3 . 1 1 77 77 SER CB C 77 62.729 62.729 64.615 -1.886 18801 1470 1 3 . 1 1 77 77 SER H H 77 9.611 9.611 9.212 0.399 18801 1471 1 3 . 1 1 78 78 GLU N N 78 114.680 114.680 117.704 -3.024 18801 1472 1 3 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.761 -0.150 18801 1473 1 3 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.803 -0.057 18801 1474 1 3 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.735 -4.231 18801 1475 1 3 . 1 1 78 78 GLU H H 78 7.589 7.589 8.596 -1.007 18801 1476 1 3 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.522 0.208 18801 1477 1 3 . 1 1 79 79 PRO C C 79 177.642 177.642 175.723 1.919 18801 1478 1 3 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.831 -2.353 18801 1479 1 3 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.701 -2.401 18801 1480 1 3 . 1 1 80 80 ILE N N 80 127.418 127.418 125.076 2.342 18801 1481 1 3 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.133 0.367 18801 1482 1 3 . 1 1 80 80 ILE C C 80 179.315 179.315 175.874 3.441 18801 1483 1 3 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.211 -4.503 18801 1484 1 3 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.028 0.090 18801 1485 1 3 . 1 1 80 80 ILE H H 80 9.614 9.614 8.140 1.474 18801 1486 1 3 . 1 1 81 81 LYS N N 81 129.156 129.156 129.892 -0.736 18801 1487 1 3 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.180 0.096 18801 1488 1 3 . 1 1 81 81 LYS C C 81 179.186 179.186 175.647 3.539 18801 1489 1 3 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.154 -4.274 18801 1490 1 3 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.727 -1.922 18801 1491 1 3 . 1 1 81 81 LYS H H 81 8.637 8.637 8.810 -0.173 18801 1492 1 3 . 1 1 82 82 SER N N 82 125.346 125.346 121.459 3.887 18801 1493 1 3 . 1 1 82 82 SER HA H 82 4.836 4.836 4.742 0.094 18801 1494 1 3 . 1 1 82 82 SER C C 82 179.369 179.369 173.951 5.418 18801 1495 1 3 . 1 1 82 82 SER CA C 82 53.893 53.893 56.158 -2.265 18801 1496 1 3 . 1 1 82 82 SER CB C 82 64.579 64.579 65.130 -0.551 18801 1497 1 3 . 1 1 82 82 SER H H 82 9.532 9.532 8.264 1.268 18801 1498 1 3 . 1 1 83 83 GLU N N 83 118.760 118.760 120.197 -1.437 18801 1499 1 3 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.993 0.055 18801 1500 1 3 . 1 1 83 83 GLU C C 83 177.803 177.803 176.841 0.962 18801 1501 1 3 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.884 -3.526 18801 1502 1 3 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.151 -2.805 18801 1503 1 3 . 1 1 83 83 GLU H H 83 9.535 9.535 8.649 0.886 18801 1504 1 3 . 1 1 84 84 PHE N N 84 118.360 118.360 116.816 1.544 18801 1505 1 3 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.578 -0.050 18801 1506 1 3 . 1 1 84 84 PHE C C 84 179.367 179.367 175.630 3.737 18801 1507 1 3 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.619 -2.501 18801 1508 1 3 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.574 -2.538 18801 1509 1 3 . 1 1 84 84 PHE H H 84 8.803 8.803 7.983 0.820 18801 1510 1 3 . 1 1 85 85 GLY N N 85 107.365 107.365 106.182 1.183 18801 1511 1 3 . 1 1 85 85 GLY C C 85 184.805 184.805 173.026 11.779 18801 1512 1 3 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.297 -2.619 18801 1513 1 3 . 1 1 85 85 GLY H H 85 7.323 7.323 7.505 -0.182 18801 1514 1 3 . 1 1 86 86 TYR N N 86 119.303 119.303 123.067 -3.764 18801 1515 1 3 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.739 0.256 18801 1516 1 3 . 1 1 86 86 TYR C C 86 180.178 180.178 175.751 4.427 18801 1517 1 3 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.325 -3.949 18801 1518 1 3 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.397 0.046 18801 1519 1 3 . 1 1 86 86 TYR H H 86 8.990 8.990 7.982 1.008 18801 1520 1 3 . 1 1 87 87 HIS N N 87 120.588 120.588 124.004 -3.416 18801 1521 1 3 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.187 0.344 18801 1522 1 3 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.883 -4.410 18801 1523 1 3 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.542 -3.363 18801 1524 1 3 . 1 1 87 87 HIS H H 87 9.791 9.791 8.682 1.109 18801 1525 1 3 . 1 1 88 88 ILE N N 88 122.986 122.986 127.825 -4.839 18801 1526 1 3 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.477 -0.432 18801 1527 1 3 . 1 1 88 88 ILE C C 88 179.375 179.375 175.467 3.908 18801 1528 1 3 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.025 0.198 18801 1529 1 3 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.668 0.685 18801 1530 1 3 . 1 1 88 88 ILE H H 88 9.161 9.161 8.221 0.940 18801 1531 1 3 . 1 1 89 89 ILE N N 89 128.220 128.220 128.709 -0.489 18801 1532 1 3 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.484 0.297 18801 1533 1 3 . 1 1 89 89 ILE C C 89 181.174 181.174 175.044 6.130 18801 1534 1 3 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.065 -3.337 18801 1535 1 3 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.945 -0.349 18801 1536 1 3 . 1 1 89 89 ILE H H 89 8.568 8.568 8.364 0.204 18801 1537 1 3 . 1 1 90 90 LYS N N 90 125.284 125.284 125.866 -0.582 18801 1538 1 3 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.056 0.108 18801 1539 1 3 . 1 1 90 90 LYS C C 90 179.565 179.565 175.528 4.037 18801 1540 1 3 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.548 -3.177 18801 1541 1 3 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.815 -3.160 18801 1542 1 3 . 1 1 90 90 LYS H H 90 8.580 8.580 7.979 0.601 18801 1543 1 3 . 1 1 91 91 ARG N N 91 126.331 126.331 127.021 -0.690 18801 1544 1 3 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.424 0.593 18801 1545 1 3 . 1 1 91 91 ARG C C 91 179.376 179.376 175.413 3.963 18801 1546 1 3 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.496 -4.583 18801 1547 1 3 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.025 -3.463 18801 1548 1 3 . 1 1 91 91 ARG H H 91 7.641 7.641 8.175 -0.534 18801 1549 1 3 . 1 1 92 92 PHE N N 92 127.260 127.260 124.660 2.600 18801 1550 1 3 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.621 -0.115 18801 1551 1 3 . 1 1 92 92 PHE C C 92 179.492 179.492 176.498 2.994 18801 1552 1 3 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.372 -2.134 18801 1553 1 3 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.604 -0.998 18801 1554 1 3 . 1 1 92 92 PHE H H 92 9.044 9.044 8.003 1.041 18801 1555 1 4 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.538 -0.069 18801 1556 1 4 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.343 -2.094 18801 1557 1 4 . 1 1 2 2 PRO CB C 2 29.536 29.536 33.200 -3.664 18801 1558 1 4 . 1 1 3 3 SER N N 3 116.356 116.356 115.882 0.474 18801 1559 1 4 . 1 1 3 3 SER HA H 3 4.457 4.457 4.581 -0.124 18801 1560 1 4 . 1 1 3 3 SER CA C 3 55.255 55.255 57.784 -2.529 18801 1561 1 4 . 1 1 3 3 SER CB C 3 61.066 61.066 63.390 -2.324 18801 1562 1 4 . 1 1 3 3 SER H H 3 8.502 8.502 8.417 0.085 18801 1563 1 4 . 1 1 4 4 ASN N N 4 120.863 120.863 119.237 1.626 18801 1564 1 4 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.668 0.028 18801 1565 1 4 . 1 1 4 4 ASN C C 4 180.499 180.499 174.421 6.078 18801 1566 1 4 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.674 -2.938 18801 1567 1 4 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.014 -3.212 18801 1568 1 4 . 1 1 4 4 ASN H H 4 8.463 8.463 8.210 0.253 18801 1569 1 4 . 1 1 5 5 LYS N N 5 119.444 119.444 117.876 1.568 18801 1570 1 4 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.073 0.023 18801 1571 1 4 . 1 1 5 5 LYS C C 5 179.306 179.306 174.998 4.308 18801 1572 1 4 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.457 -2.508 18801 1573 1 4 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.654 -3.013 18801 1574 1 4 . 1 1 5 5 LYS H H 5 7.965 7.965 7.466 0.499 18801 1575 1 4 . 1 1 6 6 ILE N N 6 115.941 115.941 113.848 2.093 18801 1576 1 4 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.671 0.890 18801 1577 1 4 . 1 1 6 6 ILE C C 6 183.130 183.130 174.338 8.792 18801 1578 1 4 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.317 -2.599 18801 1579 1 4 . 1 1 6 6 ILE CB C 6 39.704 39.704 41.984 -2.280 18801 1580 1 4 . 1 1 6 6 ILE H H 6 8.133 8.133 7.896 0.237 18801 1581 1 4 . 1 1 7 7 LYS N N 7 122.265 122.265 123.053 -0.788 18801 1582 1 4 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.762 -0.007 18801 1583 1 4 . 1 1 7 7 LYS C C 7 177.364 177.364 176.958 0.406 18801 1584 1 4 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.367 -6.139 18801 1585 1 4 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.349 -2.163 18801 1586 1 4 . 1 1 7 7 LYS H H 7 8.155 8.155 8.275 -0.120 18801 1587 1 4 . 1 1 8 8 CYS N N 8 118.452 118.452 119.789 -1.337 18801 1588 1 4 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.191 0.564 18801 1589 1 4 . 1 1 8 8 CYS C C 8 181.803 181.803 172.554 9.249 18801 1590 1 4 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.664 -4.064 18801 1591 1 4 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.638 -0.053 18801 1592 1 4 . 1 1 8 8 CYS H H 8 7.243 7.243 8.457 -1.214 18801 1593 1 4 . 1 1 9 9 SER N N 9 115.559 115.559 114.945 0.614 18801 1594 1 4 . 1 1 9 9 SER HA H 9 5.777 5.777 5.453 0.324 18801 1595 1 4 . 1 1 9 9 SER C C 9 181.609 181.609 173.231 8.378 18801 1596 1 4 . 1 1 9 9 SER CA C 9 53.256 53.256 56.213 -2.957 18801 1597 1 4 . 1 1 9 9 SER CB C 9 64.431 64.431 65.983 -1.552 18801 1598 1 4 . 1 1 9 9 SER H H 9 9.148 9.148 8.473 0.675 18801 1599 1 4 . 1 1 10 10 HIS N N 10 119.227 119.227 113.429 5.798 18801 1600 1 4 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.292 1.199 18801 1601 1 4 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.858 -4.614 18801 1602 1 4 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.338 2.310 18801 1603 1 4 . 1 1 10 10 HIS H H 10 9.626 9.626 8.840 0.786 18801 1604 1 4 . 1 1 11 11 ILE N N 11 121.859 121.859 121.244 0.615 18801 1605 1 4 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.286 -0.878 18801 1606 1 4 . 1 1 11 11 ILE C C 11 182.235 182.235 174.144 8.091 18801 1607 1 4 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.174 -1.566 18801 1608 1 4 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.498 -2.941 18801 1609 1 4 . 1 1 11 11 ILE H H 11 8.978 8.978 8.902 0.076 18801 1610 1 4 . 1 1 12 12 LEU N N 12 128.789 128.789 128.766 0.023 18801 1611 1 4 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.421 -0.373 18801 1612 1 4 . 1 1 12 12 LEU C C 12 180.111 180.111 176.466 3.645 18801 1613 1 4 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.028 -3.499 18801 1614 1 4 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.289 -1.015 18801 1615 1 4 . 1 1 12 12 LEU H H 12 7.659 7.659 8.030 -0.371 18801 1616 1 4 . 1 1 13 13 VAL N N 13 117.652 117.652 118.263 -0.611 18801 1617 1 4 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.760 0.163 18801 1618 1 4 . 1 1 13 13 VAL C C 13 178.956 178.956 174.880 4.076 18801 1619 1 4 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.334 -2.978 18801 1620 1 4 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.438 -2.193 18801 1621 1 4 . 1 1 13 13 VAL H H 13 8.916 8.916 7.767 1.149 18801 1622 1 4 . 1 1 14 14 SER N N 14 115.236 115.236 114.799 0.437 18801 1623 1 4 . 1 1 14 14 SER HA H 14 4.591 4.591 4.581 0.010 18801 1624 1 4 . 1 1 14 14 SER C C 14 179.440 179.440 174.116 5.324 18801 1625 1 4 . 1 1 14 14 SER CA C 14 58.302 58.302 58.317 -0.015 18801 1626 1 4 . 1 1 14 14 SER CB C 14 61.585 61.585 63.924 -2.339 18801 1627 1 4 . 1 1 14 14 SER H H 14 8.799 8.799 8.531 0.268 18801 1628 1 4 . 1 1 15 15 LYS N N 15 117.100 117.100 119.280 -2.180 18801 1629 1 4 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.879 -0.066 18801 1630 1 4 . 1 1 15 15 LYS C C 15 178.183 178.183 176.815 1.368 18801 1631 1 4 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.371 -3.573 18801 1632 1 4 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.441 -1.485 18801 1633 1 4 . 1 1 15 15 LYS H H 15 7.749 7.749 7.622 0.127 18801 1634 1 4 . 1 1 16 16 GLN N N 16 126.339 126.339 121.707 4.632 18801 1635 1 4 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.561 -1.016 18801 1636 1 4 . 1 1 16 16 GLN C C 16 176.604 176.604 177.825 -1.221 18801 1637 1 4 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.530 -2.091 18801 1638 1 4 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.644 -2.880 18801 1639 1 4 . 1 1 16 16 GLN H H 16 8.810 8.810 9.146 -0.336 18801 1640 1 4 . 1 1 17 17 SER N N 17 112.691 112.691 113.793 -1.102 18801 1641 1 4 . 1 1 17 17 SER HA H 17 3.841 3.841 4.155 -0.314 18801 1642 1 4 . 1 1 17 17 SER C C 17 176.880 176.880 175.034 1.846 18801 1643 1 4 . 1 1 17 17 SER CA C 17 58.169 58.169 60.891 -2.722 18801 1644 1 4 . 1 1 17 17 SER CB C 17 58.144 58.144 62.784 -4.640 18801 1645 1 4 . 1 1 17 17 SER H H 17 8.637 8.637 8.353 0.284 18801 1646 1 4 . 1 1 18 18 GLU N N 18 122.640 122.640 118.606 4.034 18801 1647 1 4 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.330 -0.286 18801 1648 1 4 . 1 1 18 18 GLU C C 18 176.035 176.035 177.429 -1.394 18801 1649 1 4 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.852 -2.801 18801 1650 1 4 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.421 -3.518 18801 1651 1 4 . 1 1 18 18 GLU H H 18 6.560 6.560 7.679 -1.119 18801 1652 1 4 . 1 1 19 19 ALA N N 19 122.963 122.963 121.984 0.979 18801 1653 1 4 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.089 -0.284 18801 1654 1 4 . 1 1 19 19 ALA C C 19 175.728 175.728 179.610 -3.882 18801 1655 1 4 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.978 -3.028 18801 1656 1 4 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.913 -4.423 18801 1657 1 4 . 1 1 19 19 ALA H H 19 7.435 7.435 7.534 -0.099 18801 1658 1 4 . 1 1 20 20 LEU N N 20 117.683 117.683 119.757 -2.074 18801 1659 1 4 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.049 -0.148 18801 1660 1 4 . 1 1 20 20 LEU C C 20 174.983 174.983 178.370 -3.387 18801 1661 1 4 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.911 -1.902 18801 1662 1 4 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.885 -3.043 18801 1663 1 4 . 1 1 20 20 LEU H H 20 8.204 8.204 8.178 0.026 18801 1664 1 4 . 1 1 21 21 ALA N N 21 122.191 122.191 122.370 -0.179 18801 1665 1 4 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.123 0.021 18801 1666 1 4 . 1 1 21 21 ALA C C 21 173.510 173.510 179.065 -5.555 18801 1667 1 4 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.523 -2.437 18801 1668 1 4 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.779 -2.917 18801 1669 1 4 . 1 1 21 21 ALA H H 21 7.432 7.432 8.025 -0.593 18801 1670 1 4 . 1 1 22 22 ILE N N 22 120.079 120.079 118.361 1.718 18801 1671 1 4 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.822 -0.419 18801 1672 1 4 . 1 1 22 22 ILE C C 22 177.128 177.128 177.375 -0.247 18801 1673 1 4 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.162 -0.884 18801 1674 1 4 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.179 -2.872 18801 1675 1 4 . 1 1 22 22 ILE H H 22 7.649 7.649 7.753 -0.104 18801 1676 1 4 . 1 1 23 23 MET N N 23 118.682 118.682 116.028 2.654 18801 1677 1 4 . 1 1 23 23 MET HA H 23 4.260 4.260 4.462 -0.202 18801 1678 1 4 . 1 1 23 23 MET C C 23 175.086 175.086 177.146 -2.060 18801 1679 1 4 . 1 1 23 23 MET CA C 23 54.737 54.737 58.017 -3.280 18801 1680 1 4 . 1 1 23 23 MET CB C 23 27.240 27.240 32.976 -5.736 18801 1681 1 4 . 1 1 23 23 MET H H 23 8.008 8.008 7.625 0.383 18801 1682 1 4 . 1 1 24 24 GLU N N 24 118.261 118.261 120.094 -1.833 18801 1683 1 4 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.236 -0.231 18801 1684 1 4 . 1 1 24 24 GLU C C 24 175.157 175.157 178.300 -3.143 18801 1685 1 4 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.292 -1.829 18801 1686 1 4 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.947 -3.696 18801 1687 1 4 . 1 1 24 24 GLU H H 24 7.527 7.527 7.811 -0.284 18801 1688 1 4 . 1 1 25 25 LYS N N 25 121.138 121.138 118.743 2.395 18801 1689 1 4 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.117 -0.108 18801 1690 1 4 . 1 1 25 25 LYS C C 25 174.603 174.603 179.121 -4.518 18801 1691 1 4 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.557 -1.696 18801 1692 1 4 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.443 -2.634 18801 1693 1 4 . 1 1 25 25 LYS H H 25 7.645 7.645 8.212 -0.567 18801 1694 1 4 . 1 1 26 26 LEU N N 26 121.410 121.410 119.386 2.024 18801 1695 1 4 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.053 0.128 18801 1696 1 4 . 1 1 26 26 LEU C C 26 172.921 172.921 179.149 -6.228 18801 1697 1 4 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.288 -2.381 18801 1698 1 4 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.309 -2.804 18801 1699 1 4 . 1 1 26 26 LEU H H 26 8.617 8.617 7.645 0.972 18801 1700 1 4 . 1 1 27 27 LYS N N 27 121.975 121.975 119.430 2.545 18801 1701 1 4 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.028 -0.005 18801 1702 1 4 . 1 1 27 27 LYS C C 27 176.493 176.493 177.446 -0.953 18801 1703 1 4 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.591 -1.979 18801 1704 1 4 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.852 -2.594 18801 1705 1 4 . 1 1 27 27 LYS H H 27 8.239 8.239 7.682 0.557 18801 1706 1 4 . 1 1 28 28 SER N N 28 113.123 113.123 111.554 1.569 18801 1707 1 4 . 1 1 28 28 SER HA H 28 4.472 4.472 4.378 0.094 18801 1708 1 4 . 1 1 28 28 SER C C 28 180.378 180.378 174.880 5.498 18801 1709 1 4 . 1 1 28 28 SER CA C 28 56.232 56.232 58.912 -2.680 18801 1710 1 4 . 1 1 28 28 SER CB C 28 60.798 60.798 64.282 -3.484 18801 1711 1 4 . 1 1 28 28 SER H H 28 7.620 7.620 7.863 -0.243 18801 1712 1 4 . 1 1 29 29 GLY N N 29 107.497 107.497 109.276 -1.779 18801 1713 1 4 . 1 1 29 29 GLY C C 29 179.552 179.552 174.044 5.508 18801 1714 1 4 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.467 -2.418 18801 1715 1 4 . 1 1 29 29 GLY H H 29 7.667 7.667 7.894 -0.227 18801 1716 1 4 . 1 1 30 30 GLU N N 30 121.320 121.320 119.452 1.868 18801 1717 1 4 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.387 -0.164 18801 1718 1 4 . 1 1 30 30 GLU C C 30 178.900 178.900 175.675 3.225 18801 1719 1 4 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.949 -1.747 18801 1720 1 4 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.531 -3.450 18801 1721 1 4 . 1 1 30 30 GLU H H 30 7.690 7.690 8.153 -0.463 18801 1722 1 4 . 1 1 31 31 LYS N N 31 122.239 122.239 120.045 2.194 18801 1723 1 4 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.653 -0.422 18801 1724 1 4 . 1 1 31 31 LYS C C 31 177.152 177.152 176.352 0.800 18801 1725 1 4 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.411 -1.077 18801 1726 1 4 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.526 -3.390 18801 1727 1 4 . 1 1 31 31 LYS H H 31 8.793 8.793 8.279 0.514 18801 1728 1 4 . 1 1 32 32 PHE N N 32 126.167 126.167 126.142 0.025 18801 1729 1 4 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.195 -0.560 18801 1730 1 4 . 1 1 32 32 PHE C C 32 177.437 177.437 177.123 0.314 18801 1731 1 4 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.130 -2.048 18801 1732 1 4 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.561 -2.035 18801 1733 1 4 . 1 1 32 32 PHE H H 32 9.002 9.002 9.128 -0.126 18801 1734 1 4 . 1 1 33 33 GLY N N 33 103.648 103.648 106.323 -2.675 18801 1735 1 4 . 1 1 33 33 GLY C C 33 179.280 179.280 176.084 3.196 18801 1736 1 4 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.149 -2.990 18801 1737 1 4 . 1 1 33 33 GLY H H 33 9.168 9.168 8.813 0.355 18801 1738 1 4 . 1 1 34 34 LYS N N 34 120.972 120.972 120.229 0.743 18801 1739 1 4 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.101 -0.131 18801 1740 1 4 . 1 1 34 34 LYS C C 34 176.326 176.326 177.737 -1.411 18801 1741 1 4 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.506 -2.264 18801 1742 1 4 . 1 1 34 34 LYS CB C 34 30.335 30.335 31.943 -1.608 18801 1743 1 4 . 1 1 34 34 LYS H H 34 6.642 6.642 7.572 -0.930 18801 1744 1 4 . 1 1 35 35 LEU N N 35 118.154 118.154 116.402 1.752 18801 1745 1 4 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.450 -0.547 18801 1746 1 4 . 1 1 35 35 LEU C C 35 175.872 175.872 177.971 -2.099 18801 1747 1 4 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.828 -1.337 18801 1748 1 4 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.479 -3.709 18801 1749 1 4 . 1 1 35 35 LEU H H 35 7.425 7.425 7.529 -0.104 18801 1750 1 4 . 1 1 36 36 ALA N N 36 120.438 120.438 122.593 -2.155 18801 1751 1 4 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.993 -0.303 18801 1752 1 4 . 1 1 36 36 ALA C C 36 176.117 176.117 178.954 -2.837 18801 1753 1 4 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.924 -2.350 18801 1754 1 4 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.291 -3.561 18801 1755 1 4 . 1 1 36 36 ALA H H 36 8.229 8.229 8.180 0.049 18801 1756 1 4 . 1 1 37 37 LYS N N 37 116.463 116.463 115.023 1.440 18801 1757 1 4 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.478 -0.431 18801 1758 1 4 . 1 1 37 37 LYS C C 37 175.232 175.232 176.602 -1.370 18801 1759 1 4 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.411 -0.993 18801 1760 1 4 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.648 -2.691 18801 1761 1 4 . 1 1 37 37 LYS H H 37 7.568 7.568 8.068 -0.500 18801 1762 1 4 . 1 1 38 38 GLU N N 38 115.319 115.319 117.898 -2.579 18801 1763 1 4 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.415 -0.381 18801 1764 1 4 . 1 1 38 38 GLU C C 38 176.423 176.423 177.569 -1.146 18801 1765 1 4 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.783 -1.014 18801 1766 1 4 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.187 -2.898 18801 1767 1 4 . 1 1 38 38 GLU H H 38 7.766 7.766 7.416 0.350 18801 1768 1 4 . 1 1 39 39 LEU N N 39 114.689 114.689 120.005 -5.316 18801 1769 1 4 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.061 0.434 18801 1770 1 4 . 1 1 39 39 LEU C C 39 177.452 177.452 177.865 -0.413 18801 1771 1 4 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.962 -4.917 18801 1772 1 4 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.310 -0.490 18801 1773 1 4 . 1 1 39 39 LEU H H 39 8.214 8.214 8.044 0.170 18801 1774 1 4 . 1 1 40 40 SER N N 40 110.112 110.112 113.037 -2.925 18801 1775 1 4 . 1 1 40 40 SER HA H 40 4.617 4.617 4.409 0.208 18801 1776 1 4 . 1 1 40 40 SER C C 40 177.179 177.179 175.594 1.585 18801 1777 1 4 . 1 1 40 40 SER CA C 40 54.102 54.102 59.393 -5.291 18801 1778 1 4 . 1 1 40 40 SER CB C 40 62.559 62.559 62.650 -0.091 18801 1779 1 4 . 1 1 40 40 SER H H 40 7.848 7.848 7.571 0.277 18801 1780 1 4 . 1 1 41 41 ILE N N 41 119.941 119.941 119.784 0.157 18801 1781 1 4 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.082 0.288 18801 1782 1 4 . 1 1 41 41 ILE C C 41 178.010 178.010 175.721 2.289 18801 1783 1 4 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.776 -2.898 18801 1784 1 4 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.344 -3.999 18801 1785 1 4 . 1 1 41 41 ILE H H 41 9.126 9.126 8.115 1.011 18801 1786 1 4 . 1 1 42 42 ASP N N 42 120.547 120.547 120.807 -0.260 18801 1787 1 4 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.466 0.367 18801 1788 1 4 . 1 1 42 42 ASP C C 42 179.215 179.215 177.122 2.093 18801 1789 1 4 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.257 -4.939 18801 1790 1 4 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.363 -4.147 18801 1791 1 4 . 1 1 42 42 ASP H H 42 7.476 7.476 7.983 -0.507 18801 1792 1 4 . 1 1 43 43 SER N N 43 122.805 122.805 122.910 -0.105 18801 1793 1 4 . 1 1 43 43 SER HA H 43 4.115 4.115 4.177 -0.062 18801 1794 1 4 . 1 1 43 43 SER C C 43 178.349 178.349 176.064 2.285 18801 1795 1 4 . 1 1 43 43 SER CA C 43 58.425 58.425 61.199 -2.774 18801 1796 1 4 . 1 1 43 43 SER CB C 43 59.904 59.904 63.289 -3.385 18801 1797 1 4 . 1 1 43 43 SER H H 43 8.215 8.215 8.615 -0.400 18801 1798 1 4 . 1 1 44 44 GLY N N 44 107.974 107.974 106.446 1.528 18801 1799 1 4 . 1 1 44 44 GLY C C 44 179.677 179.677 173.294 6.383 18801 1800 1 4 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.925 -1.114 18801 1801 1 4 . 1 1 44 44 GLY H H 44 8.384 8.384 8.171 0.213 18801 1802 1 4 . 1 1 45 45 SER N N 45 110.539 110.539 115.156 -4.617 18801 1803 1 4 . 1 1 45 45 SER HA H 45 4.493 4.493 4.438 0.055 18801 1804 1 4 . 1 1 45 45 SER C C 45 176.530 176.530 174.361 2.169 18801 1805 1 4 . 1 1 45 45 SER CA C 45 56.718 56.718 58.824 -2.106 18801 1806 1 4 . 1 1 45 45 SER CB C 45 62.291 62.291 63.600 -1.309 18801 1807 1 4 . 1 1 45 45 SER H H 45 7.177 7.177 7.571 -0.394 18801 1808 1 4 . 1 1 46 46 ALA N N 46 132.579 132.579 125.739 6.840 18801 1809 1 4 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.556 -0.818 18801 1810 1 4 . 1 1 46 46 ALA C C 46 175.404 175.404 178.704 -3.300 18801 1811 1 4 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.559 -0.372 18801 1812 1 4 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.638 -2.701 18801 1813 1 4 . 1 1 46 46 ALA H H 46 8.726 8.726 8.176 0.550 18801 1814 1 4 . 1 1 47 47 LYS N N 47 111.990 111.990 116.850 -4.860 18801 1815 1 4 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.279 -0.172 18801 1816 1 4 . 1 1 47 47 LYS C C 47 177.450 177.450 176.722 0.728 18801 1817 1 4 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.322 -2.213 18801 1818 1 4 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.770 -3.921 18801 1819 1 4 . 1 1 47 47 LYS H H 47 7.668 7.668 8.174 -0.506 18801 1820 1 4 . 1 1 48 48 LYS N N 48 118.900 118.900 117.337 1.563 18801 1821 1 4 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.524 0.079 18801 1822 1 4 . 1 1 48 48 LYS C C 48 177.786 177.786 175.591 2.195 18801 1823 1 4 . 1 1 48 48 LYS CA C 48 51.514 51.514 55.106 -3.592 18801 1824 1 4 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.915 -3.457 18801 1825 1 4 . 1 1 48 48 LYS H H 48 7.382 7.382 7.448 -0.066 18801 1826 1 4 . 1 1 49 49 ASN N N 49 115.995 115.995 117.682 -1.687 18801 1827 1 4 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.319 -0.061 18801 1828 1 4 . 1 1 49 49 ASN C C 49 180.354 180.354 175.882 4.472 18801 1829 1 4 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.477 -2.063 18801 1830 1 4 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.520 -4.198 18801 1831 1 4 . 1 1 49 49 ASN H H 49 8.021 8.021 8.323 -0.302 18801 1832 1 4 . 1 1 50 50 GLY N N 50 104.621 104.621 103.259 1.362 18801 1833 1 4 . 1 1 50 50 GLY C C 50 180.665 180.665 173.470 7.195 18801 1834 1 4 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.774 -3.241 18801 1835 1 4 . 1 1 50 50 GLY H H 50 8.512 8.512 8.846 -0.334 18801 1836 1 4 . 1 1 51 51 ASN N N 51 118.054 118.054 119.486 -1.432 18801 1837 1 4 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.580 0.219 18801 1838 1 4 . 1 1 51 51 ASN C C 51 179.848 179.848 175.753 4.095 18801 1839 1 4 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.166 -0.073 18801 1840 1 4 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.440 -2.643 18801 1841 1 4 . 1 1 51 51 ASN H H 51 7.146 7.146 8.127 -0.981 18801 1842 1 4 . 1 1 52 52 LEU N N 52 126.673 126.673 122.104 4.569 18801 1843 1 4 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.592 -0.272 18801 1844 1 4 . 1 1 52 52 LEU C C 52 176.682 176.682 177.052 -0.370 18801 1845 1 4 . 1 1 52 52 LEU CA C 52 51.441 51.441 53.943 -2.502 18801 1846 1 4 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.449 -0.987 18801 1847 1 4 . 1 1 52 52 LEU H H 52 8.607 8.607 8.146 0.461 18801 1848 1 4 . 1 1 53 53 GLY N N 53 108.525 108.525 107.239 1.286 18801 1849 1 4 . 1 1 53 53 GLY C C 53 182.708 182.708 173.883 8.825 18801 1850 1 4 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.499 -3.897 18801 1851 1 4 . 1 1 53 53 GLY H H 53 8.121 8.121 7.529 0.592 18801 1852 1 4 . 1 1 54 54 TYR N N 54 114.992 114.992 121.869 -6.877 18801 1853 1 4 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.079 0.103 18801 1854 1 4 . 1 1 54 54 TYR C C 54 176.195 176.195 176.352 -0.157 18801 1855 1 4 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.801 -2.775 18801 1856 1 4 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.764 -2.369 18801 1857 1 4 . 1 1 54 54 TYR H H 54 8.187 8.187 8.337 -0.150 18801 1858 1 4 . 1 1 55 55 PHE N N 55 118.041 118.041 122.107 -4.066 18801 1859 1 4 . 1 1 55 55 PHE HA H 55 5.103 5.103 4.956 0.147 18801 1860 1 4 . 1 1 55 55 PHE C C 55 181.875 181.875 173.383 8.492 18801 1861 1 4 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.118 -3.193 18801 1862 1 4 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.281 -3.114 18801 1863 1 4 . 1 1 55 55 PHE H H 55 9.093 9.093 8.692 0.401 18801 1864 1 4 . 1 1 56 56 THR N N 56 109.577 109.577 108.858 0.719 18801 1865 1 4 . 1 1 56 56 THR HA H 56 5.267 5.267 3.996 1.271 18801 1866 1 4 . 1 1 56 56 THR C C 56 178.403 178.403 173.747 4.656 18801 1867 1 4 . 1 1 56 56 THR CA C 56 56.522 56.522 60.474 -3.953 18801 1868 1 4 . 1 1 56 56 THR CB C 56 69.673 69.673 71.648 -1.975 18801 1869 1 4 . 1 1 56 56 THR H H 56 7.949 7.949 7.876 0.073 18801 1870 1 4 . 1 1 57 57 LYS N N 57 121.639 121.639 122.099 -0.460 18801 1871 1 4 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.237 -0.242 18801 1872 1 4 . 1 1 57 57 LYS C C 57 176.706 176.706 176.610 0.096 18801 1873 1 4 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.740 -2.045 18801 1874 1 4 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.300 -1.916 18801 1875 1 4 . 1 1 57 57 LYS H H 57 8.703 8.703 8.663 0.040 18801 1876 1 4 . 1 1 58 58 GLY N N 58 114.416 114.416 112.113 2.303 18801 1877 1 4 . 1 1 58 58 GLY C C 58 180.079 180.079 174.945 5.134 18801 1878 1 4 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.127 -2.768 18801 1879 1 4 . 1 1 58 58 GLY H H 58 10.495 10.495 8.567 1.928 18801 1880 1 4 . 1 1 59 59 MET N N 59 118.231 118.231 118.034 0.197 18801 1881 1 4 . 1 1 59 59 MET HA H 59 4.366 4.366 4.583 -0.217 18801 1882 1 4 . 1 1 59 59 MET C C 59 178.798 178.798 175.486 3.312 18801 1883 1 4 . 1 1 59 59 MET CA C 59 55.129 55.129 55.650 -0.521 18801 1884 1 4 . 1 1 59 59 MET CB C 59 32.196 32.196 33.153 -0.957 18801 1885 1 4 . 1 1 59 59 MET H H 59 7.681 7.681 8.013 -0.332 18801 1886 1 4 . 1 1 60 60 MET N N 60 118.667 118.667 117.945 0.722 18801 1887 1 4 . 1 1 60 60 MET HA H 60 4.629 4.629 4.763 -0.134 18801 1888 1 4 . 1 1 60 60 MET C C 60 178.834 178.834 175.158 3.676 18801 1889 1 4 . 1 1 60 60 MET CA C 60 49.108 49.108 53.605 -4.497 18801 1890 1 4 . 1 1 60 60 MET CB C 60 30.952 30.952 35.236 -4.284 18801 1891 1 4 . 1 1 60 60 MET H H 60 8.905 8.905 7.666 1.239 18801 1892 1 4 . 1 1 61 61 VAL N N 61 114.198 114.198 117.640 -3.442 18801 1893 1 4 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.521 -0.365 18801 1894 1 4 . 1 1 61 61 VAL C C 61 176.731 176.731 176.448 0.283 18801 1895 1 4 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.496 -0.131 18801 1896 1 4 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.717 -4.036 18801 1897 1 4 . 1 1 61 61 VAL H H 61 8.062 8.062 7.998 0.064 18801 1898 1 4 . 1 1 62 62 LYS N N 62 124.862 124.862 123.220 1.642 18801 1899 1 4 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.205 -0.056 18801 1900 1 4 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.215 -0.969 18801 1901 1 4 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.562 -3.412 18801 1902 1 4 . 1 1 62 62 LYS H H 62 8.736 8.736 8.903 -0.167 18801 1903 1 4 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.371 0.027 18801 1904 1 4 . 1 1 63 63 PRO C C 63 174.841 174.841 175.521 -0.680 18801 1905 1 4 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.306 -0.378 18801 1906 1 4 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.905 -1.678 18801 1907 1 4 . 1 1 64 64 PHE N N 64 115.340 115.340 118.491 -3.151 18801 1908 1 4 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.427 -0.793 18801 1909 1 4 . 1 1 64 64 PHE C C 64 178.782 178.782 174.685 4.097 18801 1910 1 4 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.320 -1.627 18801 1911 1 4 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.039 -2.765 18801 1912 1 4 . 1 1 64 64 PHE H H 64 6.870 6.870 7.996 -1.126 18801 1913 1 4 . 1 1 65 65 GLU N N 65 120.356 120.356 120.722 -0.366 18801 1914 1 4 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.089 -0.137 18801 1915 1 4 . 1 1 65 65 GLU C C 65 177.209 177.209 177.974 -0.765 18801 1916 1 4 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.764 -1.980 18801 1917 1 4 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.092 -2.003 18801 1918 1 4 . 1 1 65 65 GLU H H 65 8.429 8.429 8.407 0.022 18801 1919 1 4 . 1 1 66 66 ASP N N 66 117.560 117.560 120.249 -2.689 18801 1920 1 4 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.242 0.061 18801 1921 1 4 . 1 1 66 66 ASP C C 66 176.337 176.337 176.891 -0.554 18801 1922 1 4 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.706 -2.679 18801 1923 1 4 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.538 -3.017 18801 1924 1 4 . 1 1 66 66 ASP H H 66 8.925 8.925 7.599 1.326 18801 1925 1 4 . 1 1 67 67 ALA N N 67 117.959 117.959 119.469 -1.510 18801 1926 1 4 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.322 -0.197 18801 1927 1 4 . 1 1 67 67 ALA C C 67 174.155 174.155 176.496 -2.341 18801 1928 1 4 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.406 -0.299 18801 1929 1 4 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.576 -0.354 18801 1930 1 4 . 1 1 67 67 ALA H H 67 6.805 6.805 8.049 -1.244 18801 1931 1 4 . 1 1 68 68 ALA N N 68 120.884 120.884 121.306 -0.422 18801 1932 1 4 . 1 1 68 68 ALA HA H 68 3.673 3.673 3.936 -0.263 18801 1933 1 4 . 1 1 68 68 ALA C C 68 175.535 175.535 176.543 -1.008 18801 1934 1 4 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.983 -0.659 18801 1935 1 4 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.123 -4.168 18801 1936 1 4 . 1 1 68 68 ALA H H 68 8.836 8.836 6.804 2.032 18801 1937 1 4 . 1 1 69 69 PHE N N 69 110.173 110.173 110.908 -0.735 18801 1938 1 4 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.863 -0.861 18801 1939 1 4 . 1 1 69 69 PHE C C 69 178.751 178.751 176.199 2.552 18801 1940 1 4 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.893 2.587 18801 1941 1 4 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.593 -4.765 18801 1942 1 4 . 1 1 69 69 PHE H H 69 8.087 8.087 6.708 1.379 18801 1943 1 4 . 1 1 70 70 LYS N N 70 116.963 116.963 120.426 -3.463 18801 1944 1 4 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.364 0.014 18801 1945 1 4 . 1 1 70 70 LYS C C 70 177.534 177.534 176.776 0.758 18801 1946 1 4 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.441 -3.840 18801 1947 1 4 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.188 -1.083 18801 1948 1 4 . 1 1 70 70 LYS H H 70 6.997 6.997 8.242 -1.245 18801 1949 1 4 . 1 1 71 71 LEU N N 71 118.952 118.952 119.594 -0.642 18801 1950 1 4 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.353 -0.159 18801 1951 1 4 . 1 1 71 71 LEU C C 71 176.388 176.388 176.238 0.150 18801 1952 1 4 . 1 1 71 71 LEU CA C 71 51.970 51.970 54.568 -2.598 18801 1953 1 4 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.550 -2.608 18801 1954 1 4 . 1 1 71 71 LEU H H 71 6.933 6.933 7.394 -0.461 18801 1955 1 4 . 1 1 72 72 GLN N N 72 121.738 121.738 117.462 4.276 18801 1956 1 4 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.475 -0.155 18801 1957 1 4 . 1 1 72 72 GLN C C 72 177.973 177.973 176.759 1.214 18801 1958 1 4 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.559 -3.337 18801 1959 1 4 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.361 -3.755 18801 1960 1 4 . 1 1 72 72 GLN H H 72 9.040 9.040 8.257 0.783 18801 1961 1 4 . 1 1 73 73 VAL N N 73 122.076 122.076 120.530 1.546 18801 1962 1 4 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.793 -0.962 18801 1963 1 4 . 1 1 73 73 VAL C C 73 177.702 177.702 176.602 1.100 18801 1964 1 4 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.440 -0.042 18801 1965 1 4 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.451 -2.993 18801 1966 1 4 . 1 1 73 73 VAL H H 73 8.759 8.759 8.479 0.280 18801 1967 1 4 . 1 1 74 74 GLY N N 74 117.298 117.298 114.521 2.777 18801 1968 1 4 . 1 1 74 74 GLY C C 74 181.597 181.597 173.745 7.852 18801 1969 1 4 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.471 -2.612 18801 1970 1 4 . 1 1 74 74 GLY H H 74 8.626 8.626 8.290 0.336 18801 1971 1 4 . 1 1 75 75 GLU N N 75 122.135 122.135 120.534 1.601 18801 1972 1 4 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.657 -0.521 18801 1973 1 4 . 1 1 75 75 GLU C C 75 180.891 180.891 175.806 5.085 18801 1974 1 4 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.495 -1.132 18801 1975 1 4 . 1 1 75 75 GLU CB C 75 29.409 29.409 31.945 -2.536 18801 1976 1 4 . 1 1 75 75 GLU H H 75 7.877 7.877 7.847 0.030 18801 1977 1 4 . 1 1 76 76 VAL N N 76 121.950 121.950 125.861 -3.911 18801 1978 1 4 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.316 0.624 18801 1979 1 4 . 1 1 76 76 VAL C C 76 177.920 177.920 176.103 1.817 18801 1980 1 4 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.712 -5.781 18801 1981 1 4 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.729 -1.688 18801 1982 1 4 . 1 1 76 76 VAL H H 76 7.877 7.877 8.591 -0.714 18801 1983 1 4 . 1 1 77 77 SER N N 77 125.434 125.434 122.819 2.615 18801 1984 1 4 . 1 1 77 77 SER HA H 77 4.275 4.275 4.571 -0.296 18801 1985 1 4 . 1 1 77 77 SER C C 77 181.544 181.544 174.047 7.497 18801 1986 1 4 . 1 1 77 77 SER CA C 77 56.028 56.028 57.919 -1.891 18801 1987 1 4 . 1 1 77 77 SER CB C 77 62.729 62.729 64.626 -1.897 18801 1988 1 4 . 1 1 77 77 SER H H 77 9.611 9.611 9.101 0.510 18801 1989 1 4 . 1 1 78 78 GLU N N 78 114.680 114.680 118.770 -4.090 18801 1990 1 4 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.819 -0.208 18801 1991 1 4 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.653 0.093 18801 1992 1 4 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.934 -4.430 18801 1993 1 4 . 1 1 78 78 GLU H H 78 7.589 7.589 8.619 -1.030 18801 1994 1 4 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.500 0.230 18801 1995 1 4 . 1 1 79 79 PRO C C 79 177.642 177.642 175.721 1.921 18801 1996 1 4 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.862 -2.384 18801 1997 1 4 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.719 -2.419 18801 1998 1 4 . 1 1 80 80 ILE N N 80 127.418 127.418 124.997 2.421 18801 1999 1 4 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.130 0.370 18801 2000 1 4 . 1 1 80 80 ILE C C 80 179.315 179.315 175.939 3.376 18801 2001 1 4 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.234 -4.526 18801 2002 1 4 . 1 1 80 80 ILE CB C 80 37.118 37.118 36.980 0.139 18801 2003 1 4 . 1 1 80 80 ILE H H 80 9.614 9.614 8.134 1.480 18801 2004 1 4 . 1 1 81 81 LYS N N 81 129.156 129.156 130.809 -1.653 18801 2005 1 4 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.186 0.090 18801 2006 1 4 . 1 1 81 81 LYS C C 81 179.186 179.186 175.585 3.601 18801 2007 1 4 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.910 -4.030 18801 2008 1 4 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.531 -1.726 18801 2009 1 4 . 1 1 81 81 LYS H H 81 8.637 8.637 8.795 -0.158 18801 2010 1 4 . 1 1 82 82 SER N N 82 125.346 125.346 123.296 2.050 18801 2011 1 4 . 1 1 82 82 SER HA H 82 4.836 4.836 4.766 0.070 18801 2012 1 4 . 1 1 82 82 SER C C 82 179.369 179.369 173.952 5.417 18801 2013 1 4 . 1 1 82 82 SER CA C 82 53.893 53.893 56.490 -2.597 18801 2014 1 4 . 1 1 82 82 SER CB C 82 64.579 64.579 65.664 -1.085 18801 2015 1 4 . 1 1 82 82 SER H H 82 9.532 9.532 8.324 1.208 18801 2016 1 4 . 1 1 83 83 GLU N N 83 118.760 118.760 120.622 -1.862 18801 2017 1 4 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.975 0.073 18801 2018 1 4 . 1 1 83 83 GLU C C 83 177.803 177.803 176.808 0.995 18801 2019 1 4 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.865 -3.507 18801 2020 1 4 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.038 -2.693 18801 2021 1 4 . 1 1 83 83 GLU H H 83 9.535 9.535 8.622 0.913 18801 2022 1 4 . 1 1 84 84 PHE N N 84 118.360 118.360 118.096 0.264 18801 2023 1 4 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.502 0.026 18801 2024 1 4 . 1 1 84 84 PHE C C 84 179.367 179.367 175.899 3.468 18801 2025 1 4 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.894 -2.776 18801 2026 1 4 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.557 -2.521 18801 2027 1 4 . 1 1 84 84 PHE H H 84 8.803 8.803 8.047 0.756 18801 2028 1 4 . 1 1 85 85 GLY N N 85 107.365 107.365 105.387 1.978 18801 2029 1 4 . 1 1 85 85 GLY C C 85 184.805 184.805 173.093 11.712 18801 2030 1 4 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.293 -2.615 18801 2031 1 4 . 1 1 85 85 GLY H H 85 7.323 7.323 7.466 -0.143 18801 2032 1 4 . 1 1 86 86 TYR N N 86 119.303 119.303 123.095 -3.792 18801 2033 1 4 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.742 0.253 18801 2034 1 4 . 1 1 86 86 TYR C C 86 180.178 180.178 175.779 4.399 18801 2035 1 4 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.358 -3.982 18801 2036 1 4 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.314 0.129 18801 2037 1 4 . 1 1 86 86 TYR H H 86 8.990 8.990 8.007 0.983 18801 2038 1 4 . 1 1 87 87 HIS N N 87 120.588 120.588 124.023 -3.435 18801 2039 1 4 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.222 0.309 18801 2040 1 4 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.765 -4.292 18801 2041 1 4 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.605 -3.426 18801 2042 1 4 . 1 1 87 87 HIS H H 87 9.791 9.791 8.659 1.132 18801 2043 1 4 . 1 1 88 88 ILE N N 88 122.986 122.986 127.550 -4.564 18801 2044 1 4 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.473 -0.428 18801 2045 1 4 . 1 1 88 88 ILE C C 88 179.375 179.375 175.477 3.898 18801 2046 1 4 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.012 0.211 18801 2047 1 4 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.613 0.740 18801 2048 1 4 . 1 1 88 88 ILE H H 88 9.161 9.161 8.325 0.836 18801 2049 1 4 . 1 1 89 89 ILE N N 89 128.220 128.220 128.797 -0.577 18801 2050 1 4 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.481 0.300 18801 2051 1 4 . 1 1 89 89 ILE C C 89 181.174 181.174 175.060 6.114 18801 2052 1 4 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.116 -3.388 18801 2053 1 4 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.760 -0.164 18801 2054 1 4 . 1 1 89 89 ILE H H 89 8.568 8.568 8.293 0.275 18801 2055 1 4 . 1 1 90 90 LYS N N 90 125.284 125.284 126.775 -1.491 18801 2056 1 4 . 1 1 90 90 LYS HA H 90 5.164 5.164 4.976 0.188 18801 2057 1 4 . 1 1 90 90 LYS C C 90 179.565 179.565 175.424 4.141 18801 2058 1 4 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.457 -3.086 18801 2059 1 4 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.843 -3.188 18801 2060 1 4 . 1 1 90 90 LYS H H 90 8.580 8.580 7.964 0.616 18801 2061 1 4 . 1 1 91 91 ARG N N 91 126.331 126.331 127.113 -0.782 18801 2062 1 4 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.451 0.566 18801 2063 1 4 . 1 1 91 91 ARG C C 91 179.376 179.376 175.460 3.916 18801 2064 1 4 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.520 -4.606 18801 2065 1 4 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.985 -3.423 18801 2066 1 4 . 1 1 91 91 ARG H H 91 7.641 7.641 8.194 -0.553 18801 2067 1 4 . 1 1 92 92 PHE N N 92 127.260 127.260 125.130 2.130 18801 2068 1 4 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.642 -0.136 18801 2069 1 4 . 1 1 92 92 PHE C C 92 179.492 179.492 176.485 3.007 18801 2070 1 4 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.258 -2.020 18801 2071 1 4 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.689 -1.083 18801 2072 1 4 . 1 1 92 92 PHE H H 92 9.044 9.044 8.046 0.998 18801 2073 1 5 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.414 0.055 18801 2074 1 5 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.263 -3.014 18801 2075 1 5 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.172 -2.636 18801 2076 1 5 . 1 1 3 3 SER N N 3 116.356 116.356 111.675 4.681 18801 2077 1 5 . 1 1 3 3 SER HA H 3 4.457 4.457 4.156 0.301 18801 2078 1 5 . 1 1 3 3 SER CA C 3 55.255 55.255 58.659 -3.404 18801 2079 1 5 . 1 1 3 3 SER CB C 3 61.066 61.066 61.960 -0.894 18801 2080 1 5 . 1 1 3 3 SER H H 3 8.502 8.502 8.261 0.241 18801 2081 1 5 . 1 1 4 4 ASN N N 4 120.863 120.863 118.213 2.650 18801 2082 1 5 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.638 0.058 18801 2083 1 5 . 1 1 4 4 ASN C C 4 180.499 180.499 174.095 6.404 18801 2084 1 5 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.949 -3.213 18801 2085 1 5 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.475 -3.674 18801 2086 1 5 . 1 1 4 4 ASN H H 4 8.463 8.463 8.326 0.137 18801 2087 1 5 . 1 1 5 5 LYS N N 5 119.444 119.444 117.004 2.440 18801 2088 1 5 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.108 -0.012 18801 2089 1 5 . 1 1 5 5 LYS C C 5 179.306 179.306 174.933 4.373 18801 2090 1 5 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.275 -2.326 18801 2091 1 5 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.632 -2.991 18801 2092 1 5 . 1 1 5 5 LYS H H 5 7.965 7.965 7.404 0.561 18801 2093 1 5 . 1 1 6 6 ILE N N 6 115.941 115.941 113.662 2.279 18801 2094 1 5 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.706 0.855 18801 2095 1 5 . 1 1 6 6 ILE C C 6 183.130 183.130 174.395 8.735 18801 2096 1 5 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.208 -2.490 18801 2097 1 5 . 1 1 6 6 ILE CB C 6 39.704 39.704 41.971 -2.267 18801 2098 1 5 . 1 1 6 6 ILE H H 6 8.133 8.133 7.889 0.244 18801 2099 1 5 . 1 1 7 7 LYS N N 7 122.265 122.265 123.199 -0.934 18801 2100 1 5 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.643 0.112 18801 2101 1 5 . 1 1 7 7 LYS C C 7 177.364 177.364 176.888 0.476 18801 2102 1 5 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.359 -6.131 18801 2103 1 5 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.199 -2.013 18801 2104 1 5 . 1 1 7 7 LYS H H 7 8.155 8.155 8.251 -0.096 18801 2105 1 5 . 1 1 8 8 CYS N N 8 118.452 118.452 119.586 -1.134 18801 2106 1 5 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.176 0.579 18801 2107 1 5 . 1 1 8 8 CYS C C 8 181.803 181.803 172.544 9.259 18801 2108 1 5 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.490 -3.890 18801 2109 1 5 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.595 -0.010 18801 2110 1 5 . 1 1 8 8 CYS H H 8 7.243 7.243 8.516 -1.273 18801 2111 1 5 . 1 1 9 9 SER N N 9 115.559 115.559 115.002 0.557 18801 2112 1 5 . 1 1 9 9 SER HA H 9 5.777 5.777 5.377 0.400 18801 2113 1 5 . 1 1 9 9 SER C C 9 181.609 181.609 173.447 8.162 18801 2114 1 5 . 1 1 9 9 SER CA C 9 53.256 53.256 56.515 -3.259 18801 2115 1 5 . 1 1 9 9 SER CB C 9 64.431 64.431 65.721 -1.290 18801 2116 1 5 . 1 1 9 9 SER H H 9 9.148 9.148 8.486 0.662 18801 2117 1 5 . 1 1 10 10 HIS N N 10 119.227 119.227 113.427 5.800 18801 2118 1 5 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.279 1.212 18801 2119 1 5 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.933 -4.689 18801 2120 1 5 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.211 2.437 18801 2121 1 5 . 1 1 10 10 HIS H H 10 9.626 9.626 8.944 0.682 18801 2122 1 5 . 1 1 11 11 ILE N N 11 121.859 121.859 121.732 0.127 18801 2123 1 5 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.270 -0.862 18801 2124 1 5 . 1 1 11 11 ILE C C 11 182.235 182.235 174.162 8.073 18801 2125 1 5 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.181 -1.573 18801 2126 1 5 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.235 -2.678 18801 2127 1 5 . 1 1 11 11 ILE H H 11 8.978 8.978 8.872 0.106 18801 2128 1 5 . 1 1 12 12 LEU N N 12 128.789 128.789 128.441 0.348 18801 2129 1 5 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.447 -0.399 18801 2130 1 5 . 1 1 12 12 LEU C C 12 180.111 180.111 176.646 3.465 18801 2131 1 5 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.027 -3.498 18801 2132 1 5 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.327 -1.053 18801 2133 1 5 . 1 1 12 12 LEU H H 12 7.659 7.659 7.995 -0.336 18801 2134 1 5 . 1 1 13 13 VAL N N 13 117.652 117.652 116.415 1.237 18801 2135 1 5 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.716 0.207 18801 2136 1 5 . 1 1 13 13 VAL C C 13 178.956 178.956 174.606 4.350 18801 2137 1 5 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.749 -3.393 18801 2138 1 5 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.738 -2.493 18801 2139 1 5 . 1 1 13 13 VAL H H 13 8.916 8.916 7.764 1.152 18801 2140 1 5 . 1 1 14 14 SER N N 14 115.236 115.236 114.177 1.059 18801 2141 1 5 . 1 1 14 14 SER HA H 14 4.591 4.591 4.719 -0.128 18801 2142 1 5 . 1 1 14 14 SER C C 14 179.440 179.440 173.769 5.671 18801 2143 1 5 . 1 1 14 14 SER CA C 14 58.302 58.302 57.968 0.334 18801 2144 1 5 . 1 1 14 14 SER CB C 14 61.585 61.585 63.621 -2.036 18801 2145 1 5 . 1 1 14 14 SER H H 14 8.799 8.799 8.567 0.232 18801 2146 1 5 . 1 1 15 15 LYS N N 15 117.100 117.100 118.114 -1.014 18801 2147 1 5 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.876 -0.063 18801 2148 1 5 . 1 1 15 15 LYS C C 15 178.183 178.183 175.411 2.772 18801 2149 1 5 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.415 -3.617 18801 2150 1 5 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.270 -1.314 18801 2151 1 5 . 1 1 15 15 LYS H H 15 7.749 7.749 7.721 0.028 18801 2152 1 5 . 1 1 16 16 GLN N N 16 126.339 126.339 123.010 3.329 18801 2153 1 5 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.555 -1.010 18801 2154 1 5 . 1 1 16 16 GLN C C 16 176.604 176.604 177.434 -0.830 18801 2155 1 5 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.033 -2.594 18801 2156 1 5 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.337 -3.573 18801 2157 1 5 . 1 1 16 16 GLN H H 16 8.810 8.810 9.174 -0.364 18801 2158 1 5 . 1 1 17 17 SER N N 17 112.691 112.691 112.639 0.052 18801 2159 1 5 . 1 1 17 17 SER HA H 17 3.841 3.841 4.157 -0.316 18801 2160 1 5 . 1 1 17 17 SER C C 17 176.880 176.880 175.316 1.564 18801 2161 1 5 . 1 1 17 17 SER CA C 17 58.169 58.169 60.823 -2.654 18801 2162 1 5 . 1 1 17 17 SER CB C 17 58.144 58.144 62.607 -4.463 18801 2163 1 5 . 1 1 17 17 SER H H 17 8.637 8.637 8.388 0.249 18801 2164 1 5 . 1 1 18 18 GLU N N 18 122.640 122.640 119.502 3.138 18801 2165 1 5 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.403 -0.359 18801 2166 1 5 . 1 1 18 18 GLU C C 18 176.035 176.035 178.877 -2.842 18801 2167 1 5 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.728 -2.677 18801 2168 1 5 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.523 -3.620 18801 2169 1 5 . 1 1 18 18 GLU H H 18 6.560 6.560 7.609 -1.049 18801 2170 1 5 . 1 1 19 19 ALA N N 19 122.963 122.963 123.067 -0.104 18801 2171 1 5 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.118 -0.313 18801 2172 1 5 . 1 1 19 19 ALA C C 19 175.728 175.728 178.574 -2.846 18801 2173 1 5 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.788 -2.838 18801 2174 1 5 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.847 -4.357 18801 2175 1 5 . 1 1 19 19 ALA H H 19 7.435 7.435 7.663 -0.228 18801 2176 1 5 . 1 1 20 20 LEU N N 20 117.683 117.683 115.326 2.357 18801 2177 1 5 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.378 -0.477 18801 2178 1 5 . 1 1 20 20 LEU C C 20 174.983 174.983 176.745 -1.762 18801 2179 1 5 . 1 1 20 20 LEU CA C 20 55.009 55.009 54.443 0.566 18801 2180 1 5 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.953 -3.112 18801 2181 1 5 . 1 1 20 20 LEU H H 20 8.204 8.204 7.753 0.451 18801 2182 1 5 . 1 1 21 21 ALA N N 21 122.191 122.191 121.459 0.732 18801 2183 1 5 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.550 -0.406 18801 2184 1 5 . 1 1 21 21 ALA C C 21 173.510 173.510 178.191 -4.681 18801 2185 1 5 . 1 1 21 21 ALA CA C 21 52.086 52.086 53.514 -1.428 18801 2186 1 5 . 1 1 21 21 ALA CB C 21 14.862 14.862 20.080 -5.218 18801 2187 1 5 . 1 1 21 21 ALA H H 21 7.432 7.432 7.848 -0.416 18801 2188 1 5 . 1 1 22 22 ILE N N 22 120.079 120.079 120.612 -0.533 18801 2189 1 5 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.695 -0.292 18801 2190 1 5 . 1 1 22 22 ILE C C 22 177.128 177.128 177.180 -0.052 18801 2191 1 5 . 1 1 22 22 ILE CA C 22 62.278 62.278 65.391 -3.113 18801 2192 1 5 . 1 1 22 22 ILE CB C 22 34.307 34.307 38.040 -3.733 18801 2193 1 5 . 1 1 22 22 ILE H H 22 7.649 7.649 7.470 0.179 18801 2194 1 5 . 1 1 23 23 MET N N 23 118.682 118.682 113.622 5.060 18801 2195 1 5 . 1 1 23 23 MET HA H 23 4.260 4.260 4.499 -0.239 18801 2196 1 5 . 1 1 23 23 MET C C 23 175.086 175.086 176.298 -1.212 18801 2197 1 5 . 1 1 23 23 MET CA C 23 54.737 54.737 57.197 -2.460 18801 2198 1 5 . 1 1 23 23 MET CB C 23 27.240 27.240 31.492 -4.253 18801 2199 1 5 . 1 1 23 23 MET H H 23 8.008 8.008 8.192 -0.184 18801 2200 1 5 . 1 1 24 24 GLU N N 24 118.261 118.261 120.059 -1.798 18801 2201 1 5 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.362 -0.357 18801 2202 1 5 . 1 1 24 24 GLU C C 24 175.157 175.157 178.367 -3.210 18801 2203 1 5 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.346 -0.883 18801 2204 1 5 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.438 -4.187 18801 2205 1 5 . 1 1 24 24 GLU H H 24 7.527 7.527 7.610 -0.083 18801 2206 1 5 . 1 1 25 25 LYS N N 25 121.138 121.138 119.609 1.529 18801 2207 1 5 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.106 -0.097 18801 2208 1 5 . 1 1 25 25 LYS C C 25 174.603 174.603 179.049 -4.446 18801 2209 1 5 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.933 -2.072 18801 2210 1 5 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.596 -2.787 18801 2211 1 5 . 1 1 25 25 LYS H H 25 7.645 7.645 8.247 -0.602 18801 2212 1 5 . 1 1 26 26 LEU N N 26 121.410 121.410 118.747 2.663 18801 2213 1 5 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.118 0.063 18801 2214 1 5 . 1 1 26 26 LEU C C 26 172.921 172.921 179.067 -6.146 18801 2215 1 5 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.410 -2.503 18801 2216 1 5 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.392 -2.886 18801 2217 1 5 . 1 1 26 26 LEU H H 26 8.617 8.617 7.683 0.934 18801 2218 1 5 . 1 1 27 27 LYS N N 27 121.975 121.975 119.651 2.324 18801 2219 1 5 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.027 -0.004 18801 2220 1 5 . 1 1 27 27 LYS C C 27 176.493 176.493 177.806 -1.313 18801 2221 1 5 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.723 -2.111 18801 2222 1 5 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.212 -2.954 18801 2223 1 5 . 1 1 27 27 LYS H H 27 8.239 8.239 7.489 0.750 18801 2224 1 5 . 1 1 28 28 SER N N 28 113.123 113.123 112.380 0.743 18801 2225 1 5 . 1 1 28 28 SER HA H 28 4.472 4.472 4.386 0.086 18801 2226 1 5 . 1 1 28 28 SER C C 28 180.378 180.378 174.870 5.508 18801 2227 1 5 . 1 1 28 28 SER CA C 28 56.232 56.232 59.312 -3.080 18801 2228 1 5 . 1 1 28 28 SER CB C 28 60.798 60.798 64.556 -3.758 18801 2229 1 5 . 1 1 28 28 SER H H 28 7.620 7.620 7.969 -0.349 18801 2230 1 5 . 1 1 29 29 GLY N N 29 107.497 107.497 110.027 -2.530 18801 2231 1 5 . 1 1 29 29 GLY C C 29 179.552 179.552 173.468 6.084 18801 2232 1 5 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.781 -2.733 18801 2233 1 5 . 1 1 29 29 GLY H H 29 7.667 7.667 7.892 -0.225 18801 2234 1 5 . 1 1 30 30 GLU N N 30 121.320 121.320 119.289 2.031 18801 2235 1 5 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.603 -0.380 18801 2236 1 5 . 1 1 30 30 GLU C C 30 178.900 178.900 175.184 3.716 18801 2237 1 5 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.899 -0.697 18801 2238 1 5 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.657 -4.576 18801 2239 1 5 . 1 1 30 30 GLU H H 30 7.690 7.690 7.775 -0.085 18801 2240 1 5 . 1 1 31 31 LYS N N 31 122.239 122.239 120.433 1.806 18801 2241 1 5 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.693 -0.462 18801 2242 1 5 . 1 1 31 31 LYS C C 31 177.152 177.152 176.256 0.896 18801 2243 1 5 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.309 -0.975 18801 2244 1 5 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.728 -3.592 18801 2245 1 5 . 1 1 31 31 LYS H H 31 8.793 8.793 8.323 0.470 18801 2246 1 5 . 1 1 32 32 PHE N N 32 126.167 126.167 125.882 0.285 18801 2247 1 5 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.205 -0.570 18801 2248 1 5 . 1 1 32 32 PHE C C 32 177.437 177.437 177.511 -0.074 18801 2249 1 5 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.148 -2.066 18801 2250 1 5 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.516 -1.990 18801 2251 1 5 . 1 1 32 32 PHE H H 32 9.002 9.002 9.115 -0.113 18801 2252 1 5 . 1 1 33 33 GLY N N 33 103.648 103.648 106.871 -3.223 18801 2253 1 5 . 1 1 33 33 GLY C C 33 179.280 179.280 175.938 3.342 18801 2254 1 5 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.141 -2.982 18801 2255 1 5 . 1 1 33 33 GLY H H 33 9.168 9.168 8.766 0.402 18801 2256 1 5 . 1 1 34 34 LYS N N 34 120.972 120.972 121.015 -0.043 18801 2257 1 5 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.134 -0.164 18801 2258 1 5 . 1 1 34 34 LYS C C 34 176.326 176.326 177.456 -1.130 18801 2259 1 5 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.057 -1.815 18801 2260 1 5 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.161 -1.826 18801 2261 1 5 . 1 1 34 34 LYS H H 34 6.642 6.642 7.553 -0.911 18801 2262 1 5 . 1 1 35 35 LEU N N 35 118.154 118.154 115.585 2.569 18801 2263 1 5 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.439 -0.536 18801 2264 1 5 . 1 1 35 35 LEU C C 35 175.872 175.872 177.728 -1.856 18801 2265 1 5 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.715 -1.223 18801 2266 1 5 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.472 -3.702 18801 2267 1 5 . 1 1 35 35 LEU H H 35 7.425 7.425 7.724 -0.299 18801 2268 1 5 . 1 1 36 36 ALA N N 36 120.438 120.438 122.598 -2.160 18801 2269 1 5 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.051 -0.361 18801 2270 1 5 . 1 1 36 36 ALA C C 36 176.117 176.117 178.602 -2.485 18801 2271 1 5 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.885 -2.311 18801 2272 1 5 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.466 -3.735 18801 2273 1 5 . 1 1 36 36 ALA H H 36 8.229 8.229 8.071 0.158 18801 2274 1 5 . 1 1 37 37 LYS N N 37 116.463 116.463 114.318 2.145 18801 2275 1 5 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.482 -0.435 18801 2276 1 5 . 1 1 37 37 LYS C C 37 175.232 175.232 176.812 -1.580 18801 2277 1 5 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.813 -1.395 18801 2278 1 5 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.527 -2.570 18801 2279 1 5 . 1 1 37 37 LYS H H 37 7.568 7.568 8.018 -0.450 18801 2280 1 5 . 1 1 38 38 GLU N N 38 115.319 115.319 117.829 -2.510 18801 2281 1 5 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.396 -0.362 18801 2282 1 5 . 1 1 38 38 GLU C C 38 176.423 176.423 177.331 -0.908 18801 2283 1 5 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.603 -0.834 18801 2284 1 5 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.373 -3.084 18801 2285 1 5 . 1 1 38 38 GLU H H 38 7.766 7.766 7.337 0.429 18801 2286 1 5 . 1 1 39 39 LEU N N 39 114.689 114.689 120.041 -5.352 18801 2287 1 5 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.060 0.435 18801 2288 1 5 . 1 1 39 39 LEU C C 39 177.452 177.452 177.804 -0.352 18801 2289 1 5 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.811 -4.766 18801 2290 1 5 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.312 -0.492 18801 2291 1 5 . 1 1 39 39 LEU H H 39 8.214 8.214 8.039 0.175 18801 2292 1 5 . 1 1 40 40 SER N N 40 110.112 110.112 113.233 -3.121 18801 2293 1 5 . 1 1 40 40 SER HA H 40 4.617 4.617 4.412 0.205 18801 2294 1 5 . 1 1 40 40 SER C C 40 177.179 177.179 175.601 1.578 18801 2295 1 5 . 1 1 40 40 SER CA C 40 54.102 54.102 59.352 -5.250 18801 2296 1 5 . 1 1 40 40 SER CB C 40 62.559 62.559 62.610 -0.051 18801 2297 1 5 . 1 1 40 40 SER H H 40 7.848 7.848 7.589 0.259 18801 2298 1 5 . 1 1 41 41 ILE N N 41 119.941 119.941 120.168 -0.227 18801 2299 1 5 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.089 0.281 18801 2300 1 5 . 1 1 41 41 ILE C C 41 178.010 178.010 175.847 2.163 18801 2301 1 5 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.716 -2.838 18801 2302 1 5 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.335 -3.990 18801 2303 1 5 . 1 1 41 41 ILE H H 41 9.126 9.126 8.106 1.020 18801 2304 1 5 . 1 1 42 42 ASP N N 42 120.547 120.547 121.289 -0.742 18801 2305 1 5 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.497 0.336 18801 2306 1 5 . 1 1 42 42 ASP C C 42 179.215 179.215 177.022 2.193 18801 2307 1 5 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.206 -4.888 18801 2308 1 5 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.034 -3.818 18801 2309 1 5 . 1 1 42 42 ASP H H 42 7.476 7.476 7.915 -0.439 18801 2310 1 5 . 1 1 43 43 SER N N 43 122.805 122.805 122.884 -0.079 18801 2311 1 5 . 1 1 43 43 SER HA H 43 4.115 4.115 4.165 -0.050 18801 2312 1 5 . 1 1 43 43 SER C C 43 178.349 178.349 175.994 2.355 18801 2313 1 5 . 1 1 43 43 SER CA C 43 58.425 58.425 61.139 -2.714 18801 2314 1 5 . 1 1 43 43 SER CB C 43 59.904 59.904 63.328 -3.424 18801 2315 1 5 . 1 1 43 43 SER H H 43 8.215 8.215 8.618 -0.403 18801 2316 1 5 . 1 1 44 44 GLY N N 44 107.974 107.974 106.960 1.014 18801 2317 1 5 . 1 1 44 44 GLY C C 44 179.677 179.677 173.221 6.456 18801 2318 1 5 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.072 -1.262 18801 2319 1 5 . 1 1 44 44 GLY H H 44 8.384 8.384 8.188 0.196 18801 2320 1 5 . 1 1 45 45 SER N N 45 110.539 110.539 115.700 -5.161 18801 2321 1 5 . 1 1 45 45 SER HA H 45 4.493 4.493 4.505 -0.012 18801 2322 1 5 . 1 1 45 45 SER C C 45 176.530 176.530 174.441 2.089 18801 2323 1 5 . 1 1 45 45 SER CA C 45 56.718 56.718 58.920 -2.202 18801 2324 1 5 . 1 1 45 45 SER CB C 45 62.291 62.291 63.313 -1.022 18801 2325 1 5 . 1 1 45 45 SER H H 45 7.177 7.177 7.678 -0.501 18801 2326 1 5 . 1 1 46 46 ALA N N 46 132.579 132.579 125.362 7.217 18801 2327 1 5 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.543 -0.805 18801 2328 1 5 . 1 1 46 46 ALA C C 46 175.404 175.404 179.154 -3.750 18801 2329 1 5 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.627 -0.440 18801 2330 1 5 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.633 -2.696 18801 2331 1 5 . 1 1 46 46 ALA H H 46 8.726 8.726 8.015 0.711 18801 2332 1 5 . 1 1 47 47 LYS N N 47 111.990 111.990 116.569 -4.579 18801 2333 1 5 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.311 -0.204 18801 2334 1 5 . 1 1 47 47 LYS C C 47 177.450 177.450 176.973 0.477 18801 2335 1 5 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.290 -2.181 18801 2336 1 5 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.788 -3.939 18801 2337 1 5 . 1 1 47 47 LYS H H 47 7.668 7.668 8.213 -0.545 18801 2338 1 5 . 1 1 48 48 LYS N N 48 118.900 118.900 117.428 1.472 18801 2339 1 5 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.553 0.050 18801 2340 1 5 . 1 1 48 48 LYS C C 48 177.786 177.786 175.669 2.117 18801 2341 1 5 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.959 -3.446 18801 2342 1 5 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.905 -3.447 18801 2343 1 5 . 1 1 48 48 LYS H H 48 7.382 7.382 7.533 -0.151 18801 2344 1 5 . 1 1 49 49 ASN N N 49 115.995 115.995 117.811 -1.816 18801 2345 1 5 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.317 -0.059 18801 2346 1 5 . 1 1 49 49 ASN C C 49 180.354 180.354 175.898 4.456 18801 2347 1 5 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.565 -2.151 18801 2348 1 5 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.653 -4.330 18801 2349 1 5 . 1 1 49 49 ASN H H 49 8.021 8.021 8.350 -0.329 18801 2350 1 5 . 1 1 50 50 GLY N N 50 104.621 104.621 102.157 2.464 18801 2351 1 5 . 1 1 50 50 GLY C C 50 180.665 180.665 173.326 7.339 18801 2352 1 5 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.880 -3.347 18801 2353 1 5 . 1 1 50 50 GLY H H 50 8.512 8.512 8.856 -0.344 18801 2354 1 5 . 1 1 51 51 ASN N N 51 118.054 118.054 118.376 -0.322 18801 2355 1 5 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.588 0.211 18801 2356 1 5 . 1 1 51 51 ASN C C 51 179.848 179.848 175.542 4.306 18801 2357 1 5 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.798 0.295 18801 2358 1 5 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.316 -2.519 18801 2359 1 5 . 1 1 51 51 ASN H H 51 7.146 7.146 8.014 -0.868 18801 2360 1 5 . 1 1 52 52 LEU N N 52 126.673 126.673 119.635 7.038 18801 2361 1 5 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.305 0.015 18801 2362 1 5 . 1 1 52 52 LEU C C 52 176.682 176.682 177.727 -1.045 18801 2363 1 5 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.145 -3.704 18801 2364 1 5 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.585 -1.123 18801 2365 1 5 . 1 1 52 52 LEU H H 52 8.607 8.607 7.782 0.825 18801 2366 1 5 . 1 1 53 53 GLY N N 53 108.525 108.525 106.996 1.529 18801 2367 1 5 . 1 1 53 53 GLY C C 53 182.708 182.708 173.840 8.868 18801 2368 1 5 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.354 -3.752 18801 2369 1 5 . 1 1 53 53 GLY H H 53 8.121 8.121 7.537 0.584 18801 2370 1 5 . 1 1 54 54 TYR N N 54 114.992 114.992 122.623 -7.631 18801 2371 1 5 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.163 0.019 18801 2372 1 5 . 1 1 54 54 TYR C C 54 176.195 176.195 176.858 -0.663 18801 2373 1 5 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.320 -2.294 18801 2374 1 5 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.489 -2.094 18801 2375 1 5 . 1 1 54 54 TYR H H 54 8.187 8.187 8.314 -0.127 18801 2376 1 5 . 1 1 55 55 PHE N N 55 118.041 118.041 122.625 -4.584 18801 2377 1 5 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.057 0.046 18801 2378 1 5 . 1 1 55 55 PHE C C 55 181.875 181.875 173.190 8.685 18801 2379 1 5 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.151 -3.226 18801 2380 1 5 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.146 -3.979 18801 2381 1 5 . 1 1 55 55 PHE H H 55 9.093 9.093 8.750 0.343 18801 2382 1 5 . 1 1 56 56 THR N N 56 109.577 109.577 108.081 1.496 18801 2383 1 5 . 1 1 56 56 THR HA H 56 5.267 5.267 4.006 1.261 18801 2384 1 5 . 1 1 56 56 THR C C 56 178.403 178.403 173.432 4.971 18801 2385 1 5 . 1 1 56 56 THR CA C 56 56.522 56.522 59.849 -3.327 18801 2386 1 5 . 1 1 56 56 THR CB C 56 69.673 69.673 71.704 -2.031 18801 2387 1 5 . 1 1 56 56 THR H H 56 7.949 7.949 7.878 0.071 18801 2388 1 5 . 1 1 57 57 LYS N N 57 121.639 121.639 121.613 0.026 18801 2389 1 5 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.333 -0.338 18801 2390 1 5 . 1 1 57 57 LYS C C 57 176.706 176.706 176.520 0.186 18801 2391 1 5 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.385 -1.690 18801 2392 1 5 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.670 -2.286 18801 2393 1 5 . 1 1 57 57 LYS H H 57 8.703 8.703 8.549 0.154 18801 2394 1 5 . 1 1 58 58 GLY N N 58 114.416 114.416 112.839 1.577 18801 2395 1 5 . 1 1 58 58 GLY C C 58 180.079 180.079 174.696 5.383 18801 2396 1 5 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.162 -2.803 18801 2397 1 5 . 1 1 58 58 GLY H H 58 10.495 10.495 9.060 1.435 18801 2398 1 5 . 1 1 59 59 MET N N 59 118.231 118.231 117.896 0.335 18801 2399 1 5 . 1 1 59 59 MET HA H 59 4.366 4.366 4.702 -0.336 18801 2400 1 5 . 1 1 59 59 MET C C 59 178.798 178.798 175.722 3.076 18801 2401 1 5 . 1 1 59 59 MET CA C 59 55.129 55.129 55.536 -0.407 18801 2402 1 5 . 1 1 59 59 MET CB C 59 32.196 32.196 33.631 -1.435 18801 2403 1 5 . 1 1 59 59 MET H H 59 7.681 7.681 8.141 -0.460 18801 2404 1 5 . 1 1 60 60 MET N N 60 118.667 118.667 117.850 0.817 18801 2405 1 5 . 1 1 60 60 MET HA H 60 4.629 4.629 4.834 -0.205 18801 2406 1 5 . 1 1 60 60 MET C C 60 178.834 178.834 174.923 3.911 18801 2407 1 5 . 1 1 60 60 MET CA C 60 49.108 49.108 53.914 -4.806 18801 2408 1 5 . 1 1 60 60 MET CB C 60 30.952 30.952 35.016 -4.064 18801 2409 1 5 . 1 1 60 60 MET H H 60 8.905 8.905 7.874 1.031 18801 2410 1 5 . 1 1 61 61 VAL N N 61 114.198 114.198 116.819 -2.621 18801 2411 1 5 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.569 -0.413 18801 2412 1 5 . 1 1 61 61 VAL C C 61 176.731 176.731 176.502 0.229 18801 2413 1 5 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.584 -1.219 18801 2414 1 5 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.742 -4.061 18801 2415 1 5 . 1 1 61 61 VAL H H 61 8.062 8.062 8.068 -0.006 18801 2416 1 5 . 1 1 62 62 LYS N N 62 124.862 124.862 122.218 2.644 18801 2417 1 5 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.285 -0.136 18801 2418 1 5 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.894 -1.648 18801 2419 1 5 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.559 -3.409 18801 2420 1 5 . 1 1 62 62 LYS H H 62 8.736 8.736 8.817 -0.081 18801 2421 1 5 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.352 0.046 18801 2422 1 5 . 1 1 63 63 PRO C C 63 174.841 174.841 175.445 -0.604 18801 2423 1 5 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.521 -0.593 18801 2424 1 5 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.804 -1.577 18801 2425 1 5 . 1 1 64 64 PHE N N 64 115.340 115.340 118.517 -3.177 18801 2426 1 5 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.408 -0.774 18801 2427 1 5 . 1 1 64 64 PHE C C 64 178.782 178.782 174.431 4.351 18801 2428 1 5 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.357 -1.664 18801 2429 1 5 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.067 -2.793 18801 2430 1 5 . 1 1 64 64 PHE H H 64 6.870 6.870 7.995 -1.125 18801 2431 1 5 . 1 1 65 65 GLU N N 65 120.356 120.356 120.776 -0.420 18801 2432 1 5 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.040 -0.088 18801 2433 1 5 . 1 1 65 65 GLU C C 65 177.209 177.209 177.941 -0.732 18801 2434 1 5 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.558 -1.774 18801 2435 1 5 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.063 -1.974 18801 2436 1 5 . 1 1 65 65 GLU H H 65 8.429 8.429 8.319 0.110 18801 2437 1 5 . 1 1 66 66 ASP N N 66 117.560 117.560 119.685 -2.125 18801 2438 1 5 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.246 0.057 18801 2439 1 5 . 1 1 66 66 ASP C C 66 176.337 176.337 176.316 0.021 18801 2440 1 5 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.808 -2.781 18801 2441 1 5 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.743 -3.221 18801 2442 1 5 . 1 1 66 66 ASP H H 66 8.925 8.925 7.752 1.173 18801 2443 1 5 . 1 1 67 67 ALA N N 67 117.959 117.959 119.150 -1.191 18801 2444 1 5 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.345 -0.220 18801 2445 1 5 . 1 1 67 67 ALA C C 67 174.155 174.155 176.013 -1.858 18801 2446 1 5 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.308 -0.201 18801 2447 1 5 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.953 -0.731 18801 2448 1 5 . 1 1 67 67 ALA H H 67 6.805 6.805 7.023 -0.218 18801 2449 1 5 . 1 1 68 68 ALA N N 68 120.884 120.884 120.687 0.197 18801 2450 1 5 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.049 -0.376 18801 2451 1 5 . 1 1 68 68 ALA C C 68 175.535 175.535 176.515 -0.980 18801 2452 1 5 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.389 -0.065 18801 2453 1 5 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.557 -4.602 18801 2454 1 5 . 1 1 68 68 ALA H H 68 8.836 8.836 6.929 1.907 18801 2455 1 5 . 1 1 69 69 PHE N N 69 110.173 110.173 111.703 -1.530 18801 2456 1 5 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.880 -0.878 18801 2457 1 5 . 1 1 69 69 PHE C C 69 178.751 178.751 175.600 3.151 18801 2458 1 5 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.861 2.619 18801 2459 1 5 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.816 -4.988 18801 2460 1 5 . 1 1 69 69 PHE H H 69 8.087 8.087 6.741 1.346 18801 2461 1 5 . 1 1 70 70 LYS N N 70 116.963 116.963 121.331 -4.368 18801 2462 1 5 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.457 -0.079 18801 2463 1 5 . 1 1 70 70 LYS C C 70 177.534 177.534 176.263 1.271 18801 2464 1 5 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.787 -3.185 18801 2465 1 5 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.040 -0.935 18801 2466 1 5 . 1 1 70 70 LYS H H 70 6.997 6.997 8.055 -1.058 18801 2467 1 5 . 1 1 71 71 LEU N N 71 118.952 118.952 119.401 -0.449 18801 2468 1 5 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.444 -0.250 18801 2469 1 5 . 1 1 71 71 LEU C C 71 176.388 176.388 176.229 0.159 18801 2470 1 5 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.733 -1.763 18801 2471 1 5 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.454 -2.512 18801 2472 1 5 . 1 1 71 71 LEU H H 71 6.933 6.933 7.401 -0.468 18801 2473 1 5 . 1 1 72 72 GLN N N 72 121.738 121.738 117.931 3.807 18801 2474 1 5 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.526 -0.206 18801 2475 1 5 . 1 1 72 72 GLN C C 72 177.973 177.973 175.990 1.983 18801 2476 1 5 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.200 -2.978 18801 2477 1 5 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.230 -3.624 18801 2478 1 5 . 1 1 72 72 GLN H H 72 9.040 9.040 8.595 0.445 18801 2479 1 5 . 1 1 73 73 VAL N N 73 122.076 122.076 122.351 -0.275 18801 2480 1 5 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.722 -0.891 18801 2481 1 5 . 1 1 73 73 VAL C C 73 177.702 177.702 176.276 1.426 18801 2482 1 5 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.522 -0.124 18801 2483 1 5 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.230 -2.772 18801 2484 1 5 . 1 1 73 73 VAL H H 73 8.759 8.759 8.474 0.285 18801 2485 1 5 . 1 1 74 74 GLY N N 74 117.298 117.298 115.507 1.791 18801 2486 1 5 . 1 1 74 74 GLY C C 74 181.597 181.597 173.391 8.206 18801 2487 1 5 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.495 -2.636 18801 2488 1 5 . 1 1 74 74 GLY H H 74 8.626 8.626 8.399 0.227 18801 2489 1 5 . 1 1 75 75 GLU N N 75 122.135 122.135 120.169 1.966 18801 2490 1 5 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.672 -0.536 18801 2491 1 5 . 1 1 75 75 GLU C C 75 180.891 180.891 175.104 5.787 18801 2492 1 5 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.682 -1.319 18801 2493 1 5 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.538 -3.129 18801 2494 1 5 . 1 1 75 75 GLU H H 75 7.877 7.877 8.100 -0.223 18801 2495 1 5 . 1 1 76 76 VAL N N 76 121.950 121.950 123.313 -1.363 18801 2496 1 5 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.418 0.522 18801 2497 1 5 . 1 1 76 76 VAL C C 76 177.920 177.920 175.965 1.955 18801 2498 1 5 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.550 -4.619 18801 2499 1 5 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.965 -1.924 18801 2500 1 5 . 1 1 76 76 VAL H H 76 7.877 7.877 8.426 -0.549 18801 2501 1 5 . 1 1 77 77 SER N N 77 125.434 125.434 121.922 3.512 18801 2502 1 5 . 1 1 77 77 SER HA H 77 4.275 4.275 4.420 -0.145 18801 2503 1 5 . 1 1 77 77 SER C C 77 181.544 181.544 174.054 7.490 18801 2504 1 5 . 1 1 77 77 SER CA C 77 56.028 56.028 58.343 -2.315 18801 2505 1 5 . 1 1 77 77 SER CB C 77 62.729 62.729 64.845 -2.116 18801 2506 1 5 . 1 1 77 77 SER H H 77 9.611 9.611 8.922 0.689 18801 2507 1 5 . 1 1 78 78 GLU N N 78 114.680 114.680 117.160 -2.480 18801 2508 1 5 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.782 -0.171 18801 2509 1 5 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.398 0.348 18801 2510 1 5 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.856 -4.352 18801 2511 1 5 . 1 1 78 78 GLU H H 78 7.589 7.589 8.518 -0.929 18801 2512 1 5 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.513 0.217 18801 2513 1 5 . 1 1 79 79 PRO C C 79 177.642 177.642 175.732 1.910 18801 2514 1 5 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.816 -2.337 18801 2515 1 5 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.796 -2.496 18801 2516 1 5 . 1 1 80 80 ILE N N 80 127.418 127.418 125.167 2.251 18801 2517 1 5 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.131 0.369 18801 2518 1 5 . 1 1 80 80 ILE C C 80 179.315 179.315 175.972 3.343 18801 2519 1 5 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.237 -4.529 18801 2520 1 5 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.007 0.111 18801 2521 1 5 . 1 1 80 80 ILE H H 80 9.614 9.614 8.092 1.522 18801 2522 1 5 . 1 1 81 81 LYS N N 81 129.156 129.156 130.782 -1.626 18801 2523 1 5 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.101 0.175 18801 2524 1 5 . 1 1 81 81 LYS C C 81 179.186 179.186 175.566 3.620 18801 2525 1 5 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.001 -4.121 18801 2526 1 5 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.539 -1.734 18801 2527 1 5 . 1 1 81 81 LYS H H 81 8.637 8.637 8.796 -0.159 18801 2528 1 5 . 1 1 82 82 SER N N 82 125.346 125.346 123.026 2.320 18801 2529 1 5 . 1 1 82 82 SER HA H 82 4.836 4.836 4.757 0.079 18801 2530 1 5 . 1 1 82 82 SER C C 82 179.369 179.369 173.966 5.403 18801 2531 1 5 . 1 1 82 82 SER CA C 82 53.893 53.893 56.524 -2.631 18801 2532 1 5 . 1 1 82 82 SER CB C 82 64.579 64.579 65.731 -1.152 18801 2533 1 5 . 1 1 82 82 SER H H 82 9.532 9.532 8.112 1.420 18801 2534 1 5 . 1 1 83 83 GLU N N 83 118.760 118.760 120.721 -1.961 18801 2535 1 5 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.999 0.049 18801 2536 1 5 . 1 1 83 83 GLU C C 83 177.803 177.803 176.802 1.001 18801 2537 1 5 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.696 -3.338 18801 2538 1 5 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.070 -2.725 18801 2539 1 5 . 1 1 83 83 GLU H H 83 9.535 9.535 8.622 0.913 18801 2540 1 5 . 1 1 84 84 PHE N N 84 118.360 118.360 118.366 -0.006 18801 2541 1 5 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.512 0.016 18801 2542 1 5 . 1 1 84 84 PHE C C 84 179.367 179.367 175.941 3.426 18801 2543 1 5 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.758 -2.640 18801 2544 1 5 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.435 -2.399 18801 2545 1 5 . 1 1 84 84 PHE H H 84 8.803 8.803 7.959 0.844 18801 2546 1 5 . 1 1 85 85 GLY N N 85 107.365 107.365 105.474 1.891 18801 2547 1 5 . 1 1 85 85 GLY C C 85 184.805 184.805 173.123 11.682 18801 2548 1 5 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.260 -2.582 18801 2549 1 5 . 1 1 85 85 GLY H H 85 7.323 7.323 7.382 -0.059 18801 2550 1 5 . 1 1 86 86 TYR N N 86 119.303 119.303 122.840 -3.537 18801 2551 1 5 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.700 0.295 18801 2552 1 5 . 1 1 86 86 TYR C C 86 180.178 180.178 175.799 4.379 18801 2553 1 5 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.581 -4.205 18801 2554 1 5 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.444 -0.001 18801 2555 1 5 . 1 1 86 86 TYR H H 86 8.990 8.990 7.941 1.049 18801 2556 1 5 . 1 1 87 87 HIS N N 87 120.588 120.588 123.781 -3.193 18801 2557 1 5 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.167 0.364 18801 2558 1 5 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.892 -4.419 18801 2559 1 5 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.622 -3.443 18801 2560 1 5 . 1 1 87 87 HIS H H 87 9.791 9.791 8.655 1.136 18801 2561 1 5 . 1 1 88 88 ILE N N 88 122.986 122.986 127.659 -4.673 18801 2562 1 5 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.475 -0.430 18801 2563 1 5 . 1 1 88 88 ILE C C 88 179.375 179.375 175.370 4.005 18801 2564 1 5 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.006 0.217 18801 2565 1 5 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.894 0.459 18801 2566 1 5 . 1 1 88 88 ILE H H 88 9.161 9.161 8.206 0.955 18801 2567 1 5 . 1 1 89 89 ILE N N 89 128.220 128.220 128.686 -0.466 18801 2568 1 5 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.485 0.296 18801 2569 1 5 . 1 1 89 89 ILE C C 89 181.174 181.174 175.119 6.055 18801 2570 1 5 . 1 1 89 89 ILE CA C 89 57.728 57.728 60.908 -3.180 18801 2571 1 5 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.934 -0.338 18801 2572 1 5 . 1 1 89 89 ILE H H 89 8.568 8.568 8.211 0.357 18801 2573 1 5 . 1 1 90 90 LYS N N 90 125.284 125.284 127.267 -1.983 18801 2574 1 5 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.138 0.026 18801 2575 1 5 . 1 1 90 90 LYS C C 90 179.565 179.565 175.651 3.914 18801 2576 1 5 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.113 -2.742 18801 2577 1 5 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.646 -2.991 18801 2578 1 5 . 1 1 90 90 LYS H H 90 8.580 8.580 8.485 0.095 18801 2579 1 5 . 1 1 91 91 ARG N N 91 126.331 126.331 126.891 -0.560 18801 2580 1 5 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.434 0.583 18801 2581 1 5 . 1 1 91 91 ARG C C 91 179.376 179.376 175.476 3.900 18801 2582 1 5 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.524 -4.611 18801 2583 1 5 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.029 -3.467 18801 2584 1 5 . 1 1 91 91 ARG H H 91 7.641 7.641 8.210 -0.569 18801 2585 1 5 . 1 1 92 92 PHE N N 92 127.260 127.260 124.948 2.312 18801 2586 1 5 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.634 -0.128 18801 2587 1 5 . 1 1 92 92 PHE C C 92 179.492 179.492 176.474 3.018 18801 2588 1 5 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.399 -2.161 18801 2589 1 5 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.718 -1.111 18801 2590 1 5 . 1 1 92 92 PHE H H 92 9.044 9.044 8.013 1.031 18801 2591 1 6 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.617 -0.148 18801 2592 1 6 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.200 -1.951 18801 2593 1 6 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.446 -2.910 18801 2594 1 6 . 1 1 3 3 SER N N 3 116.356 116.356 113.694 2.662 18801 2595 1 6 . 1 1 3 3 SER HA H 3 4.457 4.457 4.565 -0.108 18801 2596 1 6 . 1 1 3 3 SER CA C 3 55.255 55.255 57.837 -2.582 18801 2597 1 6 . 1 1 3 3 SER CB C 3 61.066 61.066 62.910 -1.844 18801 2598 1 6 . 1 1 3 3 SER H H 3 8.502 8.502 8.244 0.258 18801 2599 1 6 . 1 1 4 4 ASN N N 4 120.863 120.863 121.393 -0.530 18801 2600 1 6 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.509 0.187 18801 2601 1 6 . 1 1 4 4 ASN C C 4 180.499 180.499 174.135 6.364 18801 2602 1 6 . 1 1 4 4 ASN CA C 4 50.736 50.736 55.220 -4.484 18801 2603 1 6 . 1 1 4 4 ASN CB C 4 35.801 35.801 38.891 -3.090 18801 2604 1 6 . 1 1 4 4 ASN H H 4 8.463 8.463 8.316 0.147 18801 2605 1 6 . 1 1 5 5 LYS N N 5 119.444 119.444 114.878 4.566 18801 2606 1 6 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.120 -0.024 18801 2607 1 6 . 1 1 5 5 LYS C C 5 179.306 179.306 174.708 4.598 18801 2608 1 6 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.271 -2.322 18801 2609 1 6 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.180 -3.539 18801 2610 1 6 . 1 1 5 5 LYS H H 5 7.965 7.965 7.675 0.290 18801 2611 1 6 . 1 1 6 6 ILE N N 6 115.941 115.941 114.001 1.940 18801 2612 1 6 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.667 0.894 18801 2613 1 6 . 1 1 6 6 ILE C C 6 183.130 183.130 173.732 9.398 18801 2614 1 6 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.822 -2.104 18801 2615 1 6 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.278 -2.574 18801 2616 1 6 . 1 1 6 6 ILE H H 6 8.133 8.133 7.827 0.306 18801 2617 1 6 . 1 1 7 7 LYS N N 7 122.265 122.265 123.470 -1.205 18801 2618 1 6 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.685 0.070 18801 2619 1 6 . 1 1 7 7 LYS C C 7 177.364 177.364 176.971 0.393 18801 2620 1 6 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.553 -6.325 18801 2621 1 6 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.249 -2.063 18801 2622 1 6 . 1 1 7 7 LYS H H 7 8.155 8.155 8.254 -0.099 18801 2623 1 6 . 1 1 8 8 CYS N N 8 118.452 118.452 119.109 -0.657 18801 2624 1 6 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.280 0.475 18801 2625 1 6 . 1 1 8 8 CYS C C 8 181.803 181.803 172.562 9.241 18801 2626 1 6 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.383 -3.783 18801 2627 1 6 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.720 -0.135 18801 2628 1 6 . 1 1 8 8 CYS H H 8 7.243 7.243 8.412 -1.169 18801 2629 1 6 . 1 1 9 9 SER N N 9 115.559 115.559 114.829 0.730 18801 2630 1 6 . 1 1 9 9 SER HA H 9 5.777 5.777 5.415 0.362 18801 2631 1 6 . 1 1 9 9 SER C C 9 181.609 181.609 173.312 8.297 18801 2632 1 6 . 1 1 9 9 SER CA C 9 53.256 53.256 56.163 -2.908 18801 2633 1 6 . 1 1 9 9 SER CB C 9 64.431 64.431 65.988 -1.557 18801 2634 1 6 . 1 1 9 9 SER H H 9 9.148 9.148 8.620 0.528 18801 2635 1 6 . 1 1 10 10 HIS N N 10 119.227 119.227 112.450 6.777 18801 2636 1 6 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.435 1.056 18801 2637 1 6 . 1 1 10 10 HIS CA C 10 51.244 51.244 56.000 -4.756 18801 2638 1 6 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.467 2.181 18801 2639 1 6 . 1 1 10 10 HIS H H 10 9.626 9.626 8.568 1.058 18801 2640 1 6 . 1 1 11 11 ILE N N 11 121.859 121.859 121.617 0.242 18801 2641 1 6 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.393 -0.985 18801 2642 1 6 . 1 1 11 11 ILE C C 11 182.235 182.235 174.261 7.974 18801 2643 1 6 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.118 -1.510 18801 2644 1 6 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.432 -2.875 18801 2645 1 6 . 1 1 11 11 ILE H H 11 8.978 8.978 8.922 0.056 18801 2646 1 6 . 1 1 12 12 LEU N N 12 128.789 128.789 128.613 0.176 18801 2647 1 6 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.470 -0.422 18801 2648 1 6 . 1 1 12 12 LEU C C 12 180.111 180.111 176.660 3.451 18801 2649 1 6 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.106 -3.577 18801 2650 1 6 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.880 -0.606 18801 2651 1 6 . 1 1 12 12 LEU H H 12 7.659 7.659 8.048 -0.389 18801 2652 1 6 . 1 1 13 13 VAL N N 13 117.652 117.652 120.362 -2.710 18801 2653 1 6 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.767 0.156 18801 2654 1 6 . 1 1 13 13 VAL C C 13 178.956 178.956 175.976 2.980 18801 2655 1 6 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.207 -3.851 18801 2656 1 6 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.862 -2.617 18801 2657 1 6 . 1 1 13 13 VAL H H 13 8.916 8.916 7.932 0.984 18801 2658 1 6 . 1 1 14 14 SER N N 14 115.236 115.236 114.100 1.136 18801 2659 1 6 . 1 1 14 14 SER HA H 14 4.591 4.591 4.604 -0.013 18801 2660 1 6 . 1 1 14 14 SER C C 14 179.440 179.440 174.150 5.290 18801 2661 1 6 . 1 1 14 14 SER CA C 14 58.302 58.302 58.808 -0.506 18801 2662 1 6 . 1 1 14 14 SER CB C 14 61.585 61.585 63.468 -1.883 18801 2663 1 6 . 1 1 14 14 SER H H 14 8.799 8.799 8.486 0.313 18801 2664 1 6 . 1 1 15 15 LYS N N 15 117.100 117.100 118.967 -1.867 18801 2665 1 6 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.794 0.019 18801 2666 1 6 . 1 1 15 15 LYS C C 15 178.183 178.183 176.371 1.812 18801 2667 1 6 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.480 -3.682 18801 2668 1 6 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.487 -1.531 18801 2669 1 6 . 1 1 15 15 LYS H H 15 7.749 7.749 7.671 0.078 18801 2670 1 6 . 1 1 16 16 GLN N N 16 126.339 126.339 120.988 5.351 18801 2671 1 6 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.660 -1.115 18801 2672 1 6 . 1 1 16 16 GLN C C 16 176.604 176.604 177.756 -1.152 18801 2673 1 6 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.056 -2.617 18801 2674 1 6 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.295 -3.531 18801 2675 1 6 . 1 1 16 16 GLN H H 16 8.810 8.810 9.122 -0.312 18801 2676 1 6 . 1 1 17 17 SER N N 17 112.691 112.691 113.511 -0.820 18801 2677 1 6 . 1 1 17 17 SER HA H 17 3.841 3.841 4.203 -0.362 18801 2678 1 6 . 1 1 17 17 SER C C 17 176.880 176.880 175.115 1.765 18801 2679 1 6 . 1 1 17 17 SER CA C 17 58.169 58.169 60.985 -2.816 18801 2680 1 6 . 1 1 17 17 SER CB C 17 58.144 58.144 62.652 -4.508 18801 2681 1 6 . 1 1 17 17 SER H H 17 8.637 8.637 8.528 0.109 18801 2682 1 6 . 1 1 18 18 GLU N N 18 122.640 122.640 120.481 2.159 18801 2683 1 6 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.288 -0.244 18801 2684 1 6 . 1 1 18 18 GLU C C 18 176.035 176.035 177.391 -1.356 18801 2685 1 6 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.604 -2.553 18801 2686 1 6 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.230 -3.327 18801 2687 1 6 . 1 1 18 18 GLU H H 18 6.560 6.560 7.535 -0.975 18801 2688 1 6 . 1 1 19 19 ALA N N 19 122.963 122.963 121.931 1.032 18801 2689 1 6 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.111 -0.306 18801 2690 1 6 . 1 1 19 19 ALA C C 19 175.728 175.728 179.752 -4.024 18801 2691 1 6 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.021 -3.071 18801 2692 1 6 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.856 -4.366 18801 2693 1 6 . 1 1 19 19 ALA H H 19 7.435 7.435 7.626 -0.191 18801 2694 1 6 . 1 1 20 20 LEU N N 20 117.683 117.683 119.254 -1.571 18801 2695 1 6 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.079 -0.178 18801 2696 1 6 . 1 1 20 20 LEU C C 20 174.983 174.983 178.438 -3.455 18801 2697 1 6 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.534 -1.525 18801 2698 1 6 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.928 -3.087 18801 2699 1 6 . 1 1 20 20 LEU H H 20 8.204 8.204 8.286 -0.082 18801 2700 1 6 . 1 1 21 21 ALA N N 21 122.191 122.191 122.381 -0.190 18801 2701 1 6 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.429 -0.285 18801 2702 1 6 . 1 1 21 21 ALA C C 21 173.510 173.510 178.816 -5.306 18801 2703 1 6 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.491 -2.405 18801 2704 1 6 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.903 -3.041 18801 2705 1 6 . 1 1 21 21 ALA H H 21 7.432 7.432 8.087 -0.655 18801 2706 1 6 . 1 1 22 22 ILE N N 22 120.079 120.079 117.762 2.317 18801 2707 1 6 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.896 -0.493 18801 2708 1 6 . 1 1 22 22 ILE C C 22 177.128 177.128 176.928 0.200 18801 2709 1 6 . 1 1 22 22 ILE CA C 22 62.278 62.278 62.409 -0.131 18801 2710 1 6 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.159 -2.852 18801 2711 1 6 . 1 1 22 22 ILE H H 22 7.649 7.649 7.568 0.081 18801 2712 1 6 . 1 1 23 23 MET N N 23 118.682 118.682 113.978 4.704 18801 2713 1 6 . 1 1 23 23 MET HA H 23 4.260 4.260 4.543 -0.283 18801 2714 1 6 . 1 1 23 23 MET C C 23 175.086 175.086 175.809 -0.723 18801 2715 1 6 . 1 1 23 23 MET CA C 23 54.737 54.737 57.462 -2.725 18801 2716 1 6 . 1 1 23 23 MET CB C 23 27.240 27.240 33.289 -6.049 18801 2717 1 6 . 1 1 23 23 MET H H 23 8.008 8.008 7.448 0.560 18801 2718 1 6 . 1 1 24 24 GLU N N 24 118.261 118.261 117.496 0.765 18801 2719 1 6 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.295 -0.290 18801 2720 1 6 . 1 1 24 24 GLU C C 24 175.157 175.157 178.013 -2.856 18801 2721 1 6 . 1 1 24 24 GLU CA C 24 56.463 56.463 56.782 -0.319 18801 2722 1 6 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.495 -4.244 18801 2723 1 6 . 1 1 24 24 GLU H H 24 7.527 7.527 7.369 0.158 18801 2724 1 6 . 1 1 25 25 LYS N N 25 121.138 121.138 121.260 -0.122 18801 2725 1 6 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.089 -0.080 18801 2726 1 6 . 1 1 25 25 LYS C C 25 174.603 174.603 178.866 -4.263 18801 2727 1 6 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.643 -1.782 18801 2728 1 6 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.245 -2.436 18801 2729 1 6 . 1 1 25 25 LYS H H 25 7.645 7.645 8.088 -0.443 18801 2730 1 6 . 1 1 26 26 LEU N N 26 121.410 121.410 118.893 2.517 18801 2731 1 6 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.132 0.049 18801 2732 1 6 . 1 1 26 26 LEU C C 26 172.921 172.921 179.383 -6.462 18801 2733 1 6 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.096 -2.188 18801 2734 1 6 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.281 -2.776 18801 2735 1 6 . 1 1 26 26 LEU H H 26 8.617 8.617 7.906 0.711 18801 2736 1 6 . 1 1 27 27 LYS N N 27 121.975 121.975 118.907 3.068 18801 2737 1 6 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.028 -0.005 18801 2738 1 6 . 1 1 27 27 LYS C C 27 176.493 176.493 177.500 -1.007 18801 2739 1 6 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.654 -2.042 18801 2740 1 6 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.892 -2.634 18801 2741 1 6 . 1 1 27 27 LYS H H 27 8.239 8.239 7.818 0.421 18801 2742 1 6 . 1 1 28 28 SER N N 28 113.123 113.123 111.519 1.604 18801 2743 1 6 . 1 1 28 28 SER HA H 28 4.472 4.472 4.446 0.026 18801 2744 1 6 . 1 1 28 28 SER C C 28 180.378 180.378 174.809 5.569 18801 2745 1 6 . 1 1 28 28 SER CA C 28 56.232 56.232 58.824 -2.592 18801 2746 1 6 . 1 1 28 28 SER CB C 28 60.798 60.798 64.242 -3.444 18801 2747 1 6 . 1 1 28 28 SER H H 28 7.620 7.620 7.846 -0.226 18801 2748 1 6 . 1 1 29 29 GLY N N 29 107.497 107.497 108.412 -0.915 18801 2749 1 6 . 1 1 29 29 GLY C C 29 179.552 179.552 173.720 5.832 18801 2750 1 6 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.832 -2.784 18801 2751 1 6 . 1 1 29 29 GLY H H 29 7.667 7.667 7.729 -0.062 18801 2752 1 6 . 1 1 30 30 GLU N N 30 121.320 121.320 119.557 1.763 18801 2753 1 6 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.585 -0.362 18801 2754 1 6 . 1 1 30 30 GLU C C 30 178.900 178.900 175.504 3.396 18801 2755 1 6 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.638 -0.436 18801 2756 1 6 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.535 -4.454 18801 2757 1 6 . 1 1 30 30 GLU H H 30 7.690 7.690 7.807 -0.117 18801 2758 1 6 . 1 1 31 31 LYS N N 31 122.239 122.239 119.665 2.574 18801 2759 1 6 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.678 -0.447 18801 2760 1 6 . 1 1 31 31 LYS C C 31 177.152 177.152 176.682 0.470 18801 2761 1 6 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.616 -1.282 18801 2762 1 6 . 1 1 31 31 LYS CB C 31 30.136 30.136 34.225 -4.089 18801 2763 1 6 . 1 1 31 31 LYS H H 31 8.793 8.793 8.219 0.574 18801 2764 1 6 . 1 1 32 32 PHE N N 32 126.167 126.167 124.771 1.396 18801 2765 1 6 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.264 -0.629 18801 2766 1 6 . 1 1 32 32 PHE C C 32 177.437 177.437 177.199 0.238 18801 2767 1 6 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.557 -1.475 18801 2768 1 6 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.191 -1.665 18801 2769 1 6 . 1 1 32 32 PHE H H 32 9.002 9.002 9.065 -0.063 18801 2770 1 6 . 1 1 33 33 GLY N N 33 103.648 103.648 106.602 -2.954 18801 2771 1 6 . 1 1 33 33 GLY C C 33 179.280 179.280 175.864 3.416 18801 2772 1 6 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.830 -2.671 18801 2773 1 6 . 1 1 33 33 GLY H H 33 9.168 9.168 8.704 0.464 18801 2774 1 6 . 1 1 34 34 LYS N N 34 120.972 120.972 120.724 0.248 18801 2775 1 6 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.104 -0.134 18801 2776 1 6 . 1 1 34 34 LYS C C 34 176.326 176.326 177.121 -0.795 18801 2777 1 6 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.583 -2.341 18801 2778 1 6 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.204 -1.869 18801 2779 1 6 . 1 1 34 34 LYS H H 34 6.642 6.642 8.472 -1.830 18801 2780 1 6 . 1 1 35 35 LEU N N 35 118.154 118.154 116.354 1.800 18801 2781 1 6 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.475 -0.572 18801 2782 1 6 . 1 1 35 35 LEU C C 35 175.872 175.872 177.671 -1.799 18801 2783 1 6 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.601 -1.109 18801 2784 1 6 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.387 -3.617 18801 2785 1 6 . 1 1 35 35 LEU H H 35 7.425 7.425 7.483 -0.058 18801 2786 1 6 . 1 1 36 36 ALA N N 36 120.438 120.438 122.702 -2.264 18801 2787 1 6 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.980 -0.290 18801 2788 1 6 . 1 1 36 36 ALA C C 36 176.117 176.117 178.444 -2.327 18801 2789 1 6 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.593 -2.019 18801 2790 1 6 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.554 -3.823 18801 2791 1 6 . 1 1 36 36 ALA H H 36 8.229 8.229 7.966 0.263 18801 2792 1 6 . 1 1 37 37 LYS N N 37 116.463 116.463 115.568 0.895 18801 2793 1 6 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.505 -0.458 18801 2794 1 6 . 1 1 37 37 LYS C C 37 175.232 175.232 176.292 -1.060 18801 2795 1 6 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.174 -0.756 18801 2796 1 6 . 1 1 37 37 LYS CB C 37 29.957 29.957 31.970 -2.013 18801 2797 1 6 . 1 1 37 37 LYS H H 37 7.568 7.568 7.883 -0.315 18801 2798 1 6 . 1 1 38 38 GLU N N 38 115.319 115.319 117.737 -2.418 18801 2799 1 6 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.382 -0.348 18801 2800 1 6 . 1 1 38 38 GLU C C 38 176.423 176.423 177.178 -0.755 18801 2801 1 6 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.862 -1.093 18801 2802 1 6 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.564 -3.276 18801 2803 1 6 . 1 1 38 38 GLU H H 38 7.766 7.766 7.464 0.302 18801 2804 1 6 . 1 1 39 39 LEU N N 39 114.689 114.689 120.199 -5.510 18801 2805 1 6 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.107 0.388 18801 2806 1 6 . 1 1 39 39 LEU C C 39 177.452 177.452 177.810 -0.358 18801 2807 1 6 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.852 -4.808 18801 2808 1 6 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.481 -0.661 18801 2809 1 6 . 1 1 39 39 LEU H H 39 8.214 8.214 8.080 0.134 18801 2810 1 6 . 1 1 40 40 SER N N 40 110.112 110.112 113.188 -3.076 18801 2811 1 6 . 1 1 40 40 SER HA H 40 4.617 4.617 4.384 0.233 18801 2812 1 6 . 1 1 40 40 SER C C 40 177.179 177.179 175.656 1.523 18801 2813 1 6 . 1 1 40 40 SER CA C 40 54.102 54.102 59.306 -5.204 18801 2814 1 6 . 1 1 40 40 SER CB C 40 62.559 62.559 63.018 -0.459 18801 2815 1 6 . 1 1 40 40 SER H H 40 7.848 7.848 7.526 0.322 18801 2816 1 6 . 1 1 41 41 ILE N N 41 119.941 119.941 120.519 -0.578 18801 2817 1 6 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.051 0.319 18801 2818 1 6 . 1 1 41 41 ILE C C 41 178.010 178.010 175.751 2.259 18801 2819 1 6 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.610 -2.732 18801 2820 1 6 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.312 -3.967 18801 2821 1 6 . 1 1 41 41 ILE H H 41 9.126 9.126 8.070 1.056 18801 2822 1 6 . 1 1 42 42 ASP N N 42 120.547 120.547 121.086 -0.539 18801 2823 1 6 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.446 0.387 18801 2824 1 6 . 1 1 42 42 ASP C C 42 179.215 179.215 177.014 2.201 18801 2825 1 6 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.065 -4.747 18801 2826 1 6 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.661 -3.445 18801 2827 1 6 . 1 1 42 42 ASP H H 42 7.476 7.476 7.763 -0.287 18801 2828 1 6 . 1 1 43 43 SER N N 43 122.805 122.805 122.626 0.179 18801 2829 1 6 . 1 1 43 43 SER HA H 43 4.115 4.115 4.103 0.012 18801 2830 1 6 . 1 1 43 43 SER C C 43 178.349 178.349 175.520 2.829 18801 2831 1 6 . 1 1 43 43 SER CA C 43 58.425 58.425 60.472 -2.047 18801 2832 1 6 . 1 1 43 43 SER CB C 43 59.904 59.904 63.066 -3.162 18801 2833 1 6 . 1 1 43 43 SER H H 43 8.215 8.215 8.477 -0.262 18801 2834 1 6 . 1 1 44 44 GLY N N 44 107.974 107.974 105.947 2.027 18801 2835 1 6 . 1 1 44 44 GLY C C 44 179.677 179.677 173.421 6.256 18801 2836 1 6 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.679 -0.868 18801 2837 1 6 . 1 1 44 44 GLY H H 44 8.384 8.384 8.176 0.208 18801 2838 1 6 . 1 1 45 45 SER N N 45 110.539 110.539 116.610 -6.071 18801 2839 1 6 . 1 1 45 45 SER HA H 45 4.493 4.493 4.534 -0.041 18801 2840 1 6 . 1 1 45 45 SER C C 45 176.530 176.530 175.410 1.120 18801 2841 1 6 . 1 1 45 45 SER CA C 45 56.718 56.718 58.712 -1.994 18801 2842 1 6 . 1 1 45 45 SER CB C 45 62.291 62.291 63.333 -1.042 18801 2843 1 6 . 1 1 45 45 SER H H 45 7.177 7.177 7.759 -0.582 18801 2844 1 6 . 1 1 46 46 ALA N N 46 132.579 132.579 125.960 6.619 18801 2845 1 6 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.458 -0.720 18801 2846 1 6 . 1 1 46 46 ALA C C 46 175.404 175.404 179.169 -3.765 18801 2847 1 6 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.820 -0.633 18801 2848 1 6 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.615 -2.678 18801 2849 1 6 . 1 1 46 46 ALA H H 46 8.726 8.726 8.059 0.667 18801 2850 1 6 . 1 1 47 47 LYS N N 47 111.990 111.990 117.208 -5.218 18801 2851 1 6 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.193 -0.086 18801 2852 1 6 . 1 1 47 47 LYS C C 47 177.450 177.450 177.456 -0.006 18801 2853 1 6 . 1 1 47 47 LYS CA C 47 55.109 55.109 58.072 -2.963 18801 2854 1 6 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.836 -3.987 18801 2855 1 6 . 1 1 47 47 LYS H H 47 7.668 7.668 8.208 -0.540 18801 2856 1 6 . 1 1 48 48 LYS N N 48 118.900 118.900 116.638 2.262 18801 2857 1 6 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.550 0.053 18801 2858 1 6 . 1 1 48 48 LYS C C 48 177.786 177.786 175.710 2.076 18801 2859 1 6 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.853 -3.339 18801 2860 1 6 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.822 -3.364 18801 2861 1 6 . 1 1 48 48 LYS H H 48 7.382 7.382 7.784 -0.402 18801 2862 1 6 . 1 1 49 49 ASN N N 49 115.995 115.995 117.723 -1.728 18801 2863 1 6 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.309 -0.051 18801 2864 1 6 . 1 1 49 49 ASN C C 49 180.354 180.354 175.701 4.653 18801 2865 1 6 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.628 -2.214 18801 2866 1 6 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.377 -4.055 18801 2867 1 6 . 1 1 49 49 ASN H H 49 8.021 8.021 8.146 -0.125 18801 2868 1 6 . 1 1 50 50 GLY N N 50 104.621 104.621 103.066 1.555 18801 2869 1 6 . 1 1 50 50 GLY C C 50 180.665 180.665 173.592 7.073 18801 2870 1 6 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.734 -3.201 18801 2871 1 6 . 1 1 50 50 GLY H H 50 8.512 8.512 8.771 -0.259 18801 2872 1 6 . 1 1 51 51 ASN N N 51 118.054 118.054 119.609 -1.555 18801 2873 1 6 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.594 0.205 18801 2874 1 6 . 1 1 51 51 ASN C C 51 179.848 179.848 175.342 4.506 18801 2875 1 6 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.580 -0.487 18801 2876 1 6 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.329 -2.532 18801 2877 1 6 . 1 1 51 51 ASN H H 51 7.146 7.146 8.180 -1.034 18801 2878 1 6 . 1 1 52 52 LEU N N 52 126.673 126.673 121.791 4.882 18801 2879 1 6 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.513 -0.193 18801 2880 1 6 . 1 1 52 52 LEU C C 52 176.682 176.682 177.047 -0.365 18801 2881 1 6 . 1 1 52 52 LEU CA C 52 51.441 51.441 54.363 -2.922 18801 2882 1 6 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.555 -1.093 18801 2883 1 6 . 1 1 52 52 LEU H H 52 8.607 8.607 7.821 0.786 18801 2884 1 6 . 1 1 53 53 GLY N N 53 108.525 108.525 107.243 1.282 18801 2885 1 6 . 1 1 53 53 GLY C C 53 182.708 182.708 173.977 8.731 18801 2886 1 6 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.422 -3.821 18801 2887 1 6 . 1 1 53 53 GLY H H 53 8.121 8.121 7.449 0.672 18801 2888 1 6 . 1 1 54 54 TYR N N 54 114.992 114.992 121.735 -6.743 18801 2889 1 6 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.005 0.177 18801 2890 1 6 . 1 1 54 54 TYR C C 54 176.195 176.195 176.624 -0.429 18801 2891 1 6 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.813 -2.787 18801 2892 1 6 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.530 -2.135 18801 2893 1 6 . 1 1 54 54 TYR H H 54 8.187 8.187 8.387 -0.200 18801 2894 1 6 . 1 1 55 55 PHE N N 55 118.041 118.041 122.689 -4.648 18801 2895 1 6 . 1 1 55 55 PHE HA H 55 5.103 5.103 4.951 0.152 18801 2896 1 6 . 1 1 55 55 PHE C C 55 181.875 181.875 173.383 8.492 18801 2897 1 6 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.196 -3.271 18801 2898 1 6 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.332 -3.165 18801 2899 1 6 . 1 1 55 55 PHE H H 55 9.093 9.093 8.677 0.416 18801 2900 1 6 . 1 1 56 56 THR N N 56 109.577 109.577 108.932 0.645 18801 2901 1 6 . 1 1 56 56 THR HA H 56 5.267 5.267 3.996 1.271 18801 2902 1 6 . 1 1 56 56 THR C C 56 178.403 178.403 173.583 4.820 18801 2903 1 6 . 1 1 56 56 THR CA C 56 56.522 56.522 60.445 -3.923 18801 2904 1 6 . 1 1 56 56 THR CB C 56 69.673 69.673 71.586 -1.913 18801 2905 1 6 . 1 1 56 56 THR H H 56 7.949 7.949 7.864 0.085 18801 2906 1 6 . 1 1 57 57 LYS N N 57 121.639 121.639 121.475 0.164 18801 2907 1 6 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.376 -0.381 18801 2908 1 6 . 1 1 57 57 LYS C C 57 176.706 176.706 176.909 -0.203 18801 2909 1 6 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.350 -1.655 18801 2910 1 6 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.802 -2.418 18801 2911 1 6 . 1 1 57 57 LYS H H 57 8.703 8.703 8.668 0.035 18801 2912 1 6 . 1 1 58 58 GLY N N 58 114.416 114.416 112.637 1.779 18801 2913 1 6 . 1 1 58 58 GLY C C 58 180.079 180.079 174.802 5.277 18801 2914 1 6 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.144 -2.785 18801 2915 1 6 . 1 1 58 58 GLY H H 58 10.495 10.495 8.798 1.697 18801 2916 1 6 . 1 1 59 59 MET N N 59 118.231 118.231 117.760 0.471 18801 2917 1 6 . 1 1 59 59 MET HA H 59 4.366 4.366 4.671 -0.305 18801 2918 1 6 . 1 1 59 59 MET C C 59 178.798 178.798 175.609 3.189 18801 2919 1 6 . 1 1 59 59 MET CA C 59 55.129 55.129 55.455 -0.326 18801 2920 1 6 . 1 1 59 59 MET CB C 59 32.196 32.196 33.434 -1.238 18801 2921 1 6 . 1 1 59 59 MET H H 59 7.681 7.681 8.066 -0.385 18801 2922 1 6 . 1 1 60 60 MET N N 60 118.667 118.667 118.164 0.503 18801 2923 1 6 . 1 1 60 60 MET HA H 60 4.629 4.629 4.781 -0.152 18801 2924 1 6 . 1 1 60 60 MET C C 60 178.834 178.834 175.123 3.711 18801 2925 1 6 . 1 1 60 60 MET CA C 60 49.108 49.108 53.892 -4.784 18801 2926 1 6 . 1 1 60 60 MET CB C 60 30.952 30.952 35.037 -4.085 18801 2927 1 6 . 1 1 60 60 MET H H 60 8.905 8.905 7.780 1.125 18801 2928 1 6 . 1 1 61 61 VAL N N 61 114.198 114.198 118.654 -4.456 18801 2929 1 6 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.586 -0.430 18801 2930 1 6 . 1 1 61 61 VAL C C 61 176.731 176.731 176.193 0.538 18801 2931 1 6 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.098 -0.733 18801 2932 1 6 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.376 -3.695 18801 2933 1 6 . 1 1 61 61 VAL H H 61 8.062 8.062 8.124 -0.062 18801 2934 1 6 . 1 1 62 62 LYS N N 62 124.862 124.862 123.413 1.449 18801 2935 1 6 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.274 -0.125 18801 2936 1 6 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.234 -1.988 18801 2937 1 6 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.738 -3.588 18801 2938 1 6 . 1 1 62 62 LYS H H 62 8.736 8.736 8.845 -0.109 18801 2939 1 6 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.453 -0.055 18801 2940 1 6 . 1 1 63 63 PRO C C 63 174.841 174.841 175.460 -0.619 18801 2941 1 6 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.460 -0.532 18801 2942 1 6 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.630 -1.403 18801 2943 1 6 . 1 1 64 64 PHE N N 64 115.340 115.340 120.159 -4.819 18801 2944 1 6 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.384 -0.750 18801 2945 1 6 . 1 1 64 64 PHE C C 64 178.782 178.782 175.309 3.473 18801 2946 1 6 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.422 -1.729 18801 2947 1 6 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.763 -3.489 18801 2948 1 6 . 1 1 64 64 PHE H H 64 6.870 6.870 8.330 -1.460 18801 2949 1 6 . 1 1 65 65 GLU N N 65 120.356 120.356 122.183 -1.827 18801 2950 1 6 . 1 1 65 65 GLU HA H 65 3.952 3.952 3.950 0.002 18801 2951 1 6 . 1 1 65 65 GLU C C 65 177.209 177.209 177.913 -0.704 18801 2952 1 6 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.357 -2.573 18801 2953 1 6 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.730 -1.641 18801 2954 1 6 . 1 1 65 65 GLU H H 65 8.429 8.429 8.691 -0.262 18801 2955 1 6 . 1 1 66 66 ASP N N 66 117.560 117.560 119.222 -1.662 18801 2956 1 6 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.255 0.048 18801 2957 1 6 . 1 1 66 66 ASP C C 66 176.337 176.337 175.931 0.406 18801 2958 1 6 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.448 -2.421 18801 2959 1 6 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.979 -3.457 18801 2960 1 6 . 1 1 66 66 ASP H H 66 8.925 8.925 7.737 1.188 18801 2961 1 6 . 1 1 67 67 ALA N N 67 117.959 117.959 118.776 -0.817 18801 2962 1 6 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.418 -0.293 18801 2963 1 6 . 1 1 67 67 ALA C C 67 174.155 174.155 176.417 -2.262 18801 2964 1 6 . 1 1 67 67 ALA CA C 67 51.107 51.107 50.944 0.163 18801 2965 1 6 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.661 -1.439 18801 2966 1 6 . 1 1 67 67 ALA H H 67 6.805 6.805 7.196 -0.391 18801 2967 1 6 . 1 1 68 68 ALA N N 68 120.884 120.884 120.588 0.296 18801 2968 1 6 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.082 -0.409 18801 2969 1 6 . 1 1 68 68 ALA C C 68 175.535 175.535 176.789 -1.254 18801 2970 1 6 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.608 -0.284 18801 2971 1 6 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.617 -4.662 18801 2972 1 6 . 1 1 68 68 ALA H H 68 8.836 8.836 7.033 1.803 18801 2973 1 6 . 1 1 69 69 PHE N N 69 110.173 110.173 113.462 -3.289 18801 2974 1 6 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.842 -0.840 18801 2975 1 6 . 1 1 69 69 PHE C C 69 178.751 178.751 175.555 3.196 18801 2976 1 6 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.575 2.905 18801 2977 1 6 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.013 -4.185 18801 2978 1 6 . 1 1 69 69 PHE H H 69 8.087 8.087 6.803 1.284 18801 2979 1 6 . 1 1 70 70 LYS N N 70 116.963 116.963 121.311 -4.348 18801 2980 1 6 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.308 0.070 18801 2981 1 6 . 1 1 70 70 LYS C C 70 177.534 177.534 176.013 1.521 18801 2982 1 6 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.758 -4.156 18801 2983 1 6 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.715 -0.610 18801 2984 1 6 . 1 1 70 70 LYS H H 70 6.997 6.997 8.075 -1.078 18801 2985 1 6 . 1 1 71 71 LEU N N 71 118.952 118.952 119.475 -0.523 18801 2986 1 6 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.366 -0.172 18801 2987 1 6 . 1 1 71 71 LEU C C 71 176.388 176.388 175.876 0.512 18801 2988 1 6 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.582 -1.612 18801 2989 1 6 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.342 -3.400 18801 2990 1 6 . 1 1 71 71 LEU H H 71 6.933 6.933 7.452 -0.519 18801 2991 1 6 . 1 1 72 72 GLN N N 72 121.738 121.738 115.788 5.950 18801 2992 1 6 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.517 -0.197 18801 2993 1 6 . 1 1 72 72 GLN C C 72 177.973 177.973 174.671 3.302 18801 2994 1 6 . 1 1 72 72 GLN CA C 72 51.222 51.222 53.505 -2.283 18801 2995 1 6 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.217 -4.611 18801 2996 1 6 . 1 1 72 72 GLN H H 72 9.040 9.040 8.025 1.015 18801 2997 1 6 . 1 1 73 73 VAL N N 73 122.076 122.076 121.133 0.943 18801 2998 1 6 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.693 -0.862 18801 2999 1 6 . 1 1 73 73 VAL C C 73 177.702 177.702 177.142 0.560 18801 3000 1 6 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.346 0.052 18801 3001 1 6 . 1 1 73 73 VAL CB C 73 27.458 27.458 31.225 -3.767 18801 3002 1 6 . 1 1 73 73 VAL H H 73 8.759 8.759 8.425 0.334 18801 3003 1 6 . 1 1 74 74 GLY N N 74 117.298 117.298 114.549 2.749 18801 3004 1 6 . 1 1 74 74 GLY C C 74 181.597 181.597 173.294 8.303 18801 3005 1 6 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.805 -2.946 18801 3006 1 6 . 1 1 74 74 GLY H H 74 8.626 8.626 8.601 0.025 18801 3007 1 6 . 1 1 75 75 GLU N N 75 122.135 122.135 118.611 3.524 18801 3008 1 6 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.655 -0.519 18801 3009 1 6 . 1 1 75 75 GLU C C 75 180.891 180.891 174.774 6.117 18801 3010 1 6 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.712 -1.349 18801 3011 1 6 . 1 1 75 75 GLU CB C 75 29.409 29.409 34.058 -4.649 18801 3012 1 6 . 1 1 75 75 GLU H H 75 7.877 7.877 7.773 0.104 18801 3013 1 6 . 1 1 76 76 VAL N N 76 121.950 121.950 122.447 -0.497 18801 3014 1 6 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.568 0.372 18801 3015 1 6 . 1 1 76 76 VAL C C 76 177.920 177.920 176.089 1.831 18801 3016 1 6 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.360 -4.429 18801 3017 1 6 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.961 -2.920 18801 3018 1 6 . 1 1 76 76 VAL H H 76 7.877 7.877 8.428 -0.551 18801 3019 1 6 . 1 1 77 77 SER N N 77 125.434 125.434 122.885 2.549 18801 3020 1 6 . 1 1 77 77 SER HA H 77 4.275 4.275 4.549 -0.274 18801 3021 1 6 . 1 1 77 77 SER C C 77 181.544 181.544 174.294 7.250 18801 3022 1 6 . 1 1 77 77 SER CA C 77 56.028 56.028 57.675 -1.647 18801 3023 1 6 . 1 1 77 77 SER CB C 77 62.729 62.729 65.457 -2.728 18801 3024 1 6 . 1 1 77 77 SER H H 77 9.611 9.611 9.113 0.498 18801 3025 1 6 . 1 1 78 78 GLU N N 78 114.680 114.680 116.599 -1.919 18801 3026 1 6 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.844 -0.233 18801 3027 1 6 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.380 0.366 18801 3028 1 6 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.907 -4.403 18801 3029 1 6 . 1 1 78 78 GLU H H 78 7.589 7.589 8.563 -0.974 18801 3030 1 6 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.507 0.223 18801 3031 1 6 . 1 1 79 79 PRO C C 79 177.642 177.642 175.727 1.915 18801 3032 1 6 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.791 -2.313 18801 3033 1 6 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.714 -2.414 18801 3034 1 6 . 1 1 80 80 ILE N N 80 127.418 127.418 125.021 2.397 18801 3035 1 6 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.112 0.388 18801 3036 1 6 . 1 1 80 80 ILE C C 80 179.315 179.315 175.949 3.366 18801 3037 1 6 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.480 -4.771 18801 3038 1 6 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.022 0.096 18801 3039 1 6 . 1 1 80 80 ILE H H 80 9.614 9.614 8.115 1.499 18801 3040 1 6 . 1 1 81 81 LYS N N 81 129.156 129.156 130.261 -1.105 18801 3041 1 6 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.226 0.050 18801 3042 1 6 . 1 1 81 81 LYS C C 81 179.186 179.186 175.623 3.563 18801 3043 1 6 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.722 -3.842 18801 3044 1 6 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.289 -1.484 18801 3045 1 6 . 1 1 81 81 LYS H H 81 8.637 8.637 8.801 -0.164 18801 3046 1 6 . 1 1 82 82 SER N N 82 125.346 125.346 122.560 2.786 18801 3047 1 6 . 1 1 82 82 SER HA H 82 4.836 4.836 4.772 0.064 18801 3048 1 6 . 1 1 82 82 SER C C 82 179.369 179.369 173.722 5.647 18801 3049 1 6 . 1 1 82 82 SER CA C 82 53.893 53.893 56.261 -2.368 18801 3050 1 6 . 1 1 82 82 SER CB C 82 64.579 64.579 66.134 -1.555 18801 3051 1 6 . 1 1 82 82 SER H H 82 9.532 9.532 8.197 1.335 18801 3052 1 6 . 1 1 83 83 GLU N N 83 118.760 118.760 119.907 -1.147 18801 3053 1 6 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.975 0.073 18801 3054 1 6 . 1 1 83 83 GLU C C 83 177.803 177.803 176.420 1.383 18801 3055 1 6 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.704 -3.346 18801 3056 1 6 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.113 -2.768 18801 3057 1 6 . 1 1 83 83 GLU H H 83 9.535 9.535 8.644 0.891 18801 3058 1 6 . 1 1 84 84 PHE N N 84 118.360 118.360 117.574 0.786 18801 3059 1 6 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.548 -0.020 18801 3060 1 6 . 1 1 84 84 PHE C C 84 179.367 179.367 175.854 3.513 18801 3061 1 6 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.590 -2.472 18801 3062 1 6 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.641 -2.605 18801 3063 1 6 . 1 1 84 84 PHE H H 84 8.803 8.803 7.974 0.829 18801 3064 1 6 . 1 1 85 85 GLY N N 85 107.365 107.365 105.556 1.809 18801 3065 1 6 . 1 1 85 85 GLY C C 85 184.805 184.805 173.114 11.691 18801 3066 1 6 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.279 -2.602 18801 3067 1 6 . 1 1 85 85 GLY H H 85 7.323 7.323 7.433 -0.110 18801 3068 1 6 . 1 1 86 86 TYR N N 86 119.303 119.303 122.915 -3.612 18801 3069 1 6 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.708 0.287 18801 3070 1 6 . 1 1 86 86 TYR C C 86 180.178 180.178 175.732 4.446 18801 3071 1 6 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.349 -3.973 18801 3072 1 6 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.434 0.009 18801 3073 1 6 . 1 1 86 86 TYR H H 86 8.990 8.990 7.933 1.057 18801 3074 1 6 . 1 1 87 87 HIS N N 87 120.588 120.588 123.863 -3.275 18801 3075 1 6 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.174 0.357 18801 3076 1 6 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.857 -4.384 18801 3077 1 6 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.471 -3.292 18801 3078 1 6 . 1 1 87 87 HIS H H 87 9.791 9.791 8.640 1.151 18801 3079 1 6 . 1 1 88 88 ILE N N 88 122.986 122.986 127.522 -4.536 18801 3080 1 6 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.473 -0.427 18801 3081 1 6 . 1 1 88 88 ILE C C 88 179.375 179.375 175.709 3.666 18801 3082 1 6 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.061 0.162 18801 3083 1 6 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.371 0.982 18801 3084 1 6 . 1 1 88 88 ILE H H 88 9.161 9.161 8.254 0.907 18801 3085 1 6 . 1 1 89 89 ILE N N 89 128.220 128.220 128.772 -0.552 18801 3086 1 6 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.542 0.239 18801 3087 1 6 . 1 1 89 89 ILE C C 89 181.174 181.174 174.963 6.211 18801 3088 1 6 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.081 -3.353 18801 3089 1 6 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.706 -0.110 18801 3090 1 6 . 1 1 89 89 ILE H H 89 8.568 8.568 8.125 0.443 18801 3091 1 6 . 1 1 90 90 LYS N N 90 125.284 125.284 126.352 -1.068 18801 3092 1 6 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.141 0.023 18801 3093 1 6 . 1 1 90 90 LYS C C 90 179.565 179.565 175.461 4.104 18801 3094 1 6 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.451 -3.080 18801 3095 1 6 . 1 1 90 90 LYS CB C 90 32.655 32.655 36.021 -3.366 18801 3096 1 6 . 1 1 90 90 LYS H H 90 8.580 8.580 7.843 0.737 18801 3097 1 6 . 1 1 91 91 ARG N N 91 126.331 126.331 126.784 -0.453 18801 3098 1 6 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.403 0.614 18801 3099 1 6 . 1 1 91 91 ARG C C 91 179.376 179.376 175.338 4.038 18801 3100 1 6 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.772 -4.859 18801 3101 1 6 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.029 -3.467 18801 3102 1 6 . 1 1 91 91 ARG H H 91 7.641 7.641 8.194 -0.553 18801 3103 1 6 . 1 1 92 92 PHE N N 92 127.260 127.260 124.026 3.234 18801 3104 1 6 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.562 -0.056 18801 3105 1 6 . 1 1 92 92 PHE C C 92 179.492 179.492 176.002 3.490 18801 3106 1 6 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.221 -1.983 18801 3107 1 6 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.175 -1.569 18801 3108 1 6 . 1 1 92 92 PHE H H 92 9.044 9.044 7.990 1.054 18801 3109 1 7 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.576 -0.107 18801 3110 1 7 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.560 -2.311 18801 3111 1 7 . 1 1 2 2 PRO CB C 2 29.536 29.536 33.182 -3.646 18801 3112 1 7 . 1 1 3 3 SER N N 3 116.356 116.356 116.774 -0.418 18801 3113 1 7 . 1 1 3 3 SER HA H 3 4.457 4.457 4.594 -0.137 18801 3114 1 7 . 1 1 3 3 SER CA C 3 55.255 55.255 57.910 -2.655 18801 3115 1 7 . 1 1 3 3 SER CB C 3 61.066 61.066 64.456 -3.389 18801 3116 1 7 . 1 1 3 3 SER H H 3 8.502 8.502 8.325 0.177 18801 3117 1 7 . 1 1 4 4 ASN N N 4 120.863 120.863 123.295 -2.432 18801 3118 1 7 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.785 -0.089 18801 3119 1 7 . 1 1 4 4 ASN C C 4 180.499 180.499 173.847 6.652 18801 3120 1 7 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.747 -3.011 18801 3121 1 7 . 1 1 4 4 ASN CB C 4 35.801 35.801 40.371 -4.570 18801 3122 1 7 . 1 1 4 4 ASN H H 4 8.463 8.463 8.821 -0.358 18801 3123 1 7 . 1 1 5 5 LYS N N 5 119.444 119.444 116.281 3.163 18801 3124 1 7 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.114 -0.018 18801 3125 1 7 . 1 1 5 5 LYS C C 5 179.306 179.306 174.462 4.844 18801 3126 1 7 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.405 -2.456 18801 3127 1 7 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.642 -3.001 18801 3128 1 7 . 1 1 5 5 LYS H H 5 7.965 7.965 7.408 0.557 18801 3129 1 7 . 1 1 6 6 ILE N N 6 115.941 115.941 113.755 2.186 18801 3130 1 7 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.839 0.722 18801 3131 1 7 . 1 1 6 6 ILE C C 6 183.130 183.130 174.062 9.068 18801 3132 1 7 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.988 -2.270 18801 3133 1 7 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.120 -2.416 18801 3134 1 7 . 1 1 6 6 ILE H H 6 8.133 8.133 7.815 0.318 18801 3135 1 7 . 1 1 7 7 LYS N N 7 122.265 122.265 123.207 -0.942 18801 3136 1 7 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.804 -0.049 18801 3137 1 7 . 1 1 7 7 LYS C C 7 177.364 177.364 176.901 0.463 18801 3138 1 7 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.358 -6.130 18801 3139 1 7 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.385 -2.199 18801 3140 1 7 . 1 1 7 7 LYS H H 7 8.155 8.155 8.378 -0.223 18801 3141 1 7 . 1 1 8 8 CYS N N 8 118.452 118.452 119.814 -1.362 18801 3142 1 7 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.215 0.540 18801 3143 1 7 . 1 1 8 8 CYS C C 8 181.803 181.803 172.493 9.310 18801 3144 1 7 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.683 -4.083 18801 3145 1 7 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.688 -0.103 18801 3146 1 7 . 1 1 8 8 CYS H H 8 7.243 7.243 8.516 -1.273 18801 3147 1 7 . 1 1 9 9 SER N N 9 115.559 115.559 114.981 0.578 18801 3148 1 7 . 1 1 9 9 SER HA H 9 5.777 5.777 5.376 0.401 18801 3149 1 7 . 1 1 9 9 SER C C 9 181.609 181.609 173.407 8.202 18801 3150 1 7 . 1 1 9 9 SER CA C 9 53.256 53.256 56.560 -3.304 18801 3151 1 7 . 1 1 9 9 SER CB C 9 64.431 64.431 65.853 -1.422 18801 3152 1 7 . 1 1 9 9 SER H H 9 9.148 9.148 8.413 0.735 18801 3153 1 7 . 1 1 10 10 HIS N N 10 119.227 119.227 113.556 5.671 18801 3154 1 7 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.288 1.203 18801 3155 1 7 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.971 -4.727 18801 3156 1 7 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.312 2.336 18801 3157 1 7 . 1 1 10 10 HIS H H 10 9.626 9.626 8.881 0.745 18801 3158 1 7 . 1 1 11 11 ILE N N 11 121.859 121.859 121.402 0.457 18801 3159 1 7 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.264 -0.856 18801 3160 1 7 . 1 1 11 11 ILE C C 11 182.235 182.235 174.023 8.212 18801 3161 1 7 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.494 -1.886 18801 3162 1 7 . 1 1 11 11 ILE CB C 11 38.557 38.557 40.897 -2.340 18801 3163 1 7 . 1 1 11 11 ILE H H 11 8.978 8.978 8.982 -0.004 18801 3164 1 7 . 1 1 12 12 LEU N N 12 128.789 128.789 129.015 -0.226 18801 3165 1 7 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.409 -0.361 18801 3166 1 7 . 1 1 12 12 LEU C C 12 180.111 180.111 176.764 3.347 18801 3167 1 7 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.415 -3.886 18801 3168 1 7 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.453 -0.179 18801 3169 1 7 . 1 1 12 12 LEU H H 12 7.659 7.659 8.767 -1.108 18801 3170 1 7 . 1 1 13 13 VAL N N 13 117.652 117.652 119.008 -1.356 18801 3171 1 7 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.695 0.228 18801 3172 1 7 . 1 1 13 13 VAL C C 13 178.956 178.956 175.749 3.207 18801 3173 1 7 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.904 -3.548 18801 3174 1 7 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.896 -2.651 18801 3175 1 7 . 1 1 13 13 VAL H H 13 8.916 8.916 7.794 1.122 18801 3176 1 7 . 1 1 14 14 SER N N 14 115.236 115.236 114.843 0.393 18801 3177 1 7 . 1 1 14 14 SER HA H 14 4.591 4.591 4.752 -0.161 18801 3178 1 7 . 1 1 14 14 SER C C 14 179.440 179.440 174.103 5.337 18801 3179 1 7 . 1 1 14 14 SER CA C 14 58.302 58.302 58.975 -0.673 18801 3180 1 7 . 1 1 14 14 SER CB C 14 61.585 61.585 64.850 -3.265 18801 3181 1 7 . 1 1 14 14 SER H H 14 8.799 8.799 8.869 -0.070 18801 3182 1 7 . 1 1 15 15 LYS N N 15 117.100 117.100 119.900 -2.800 18801 3183 1 7 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.853 -0.040 18801 3184 1 7 . 1 1 15 15 LYS C C 15 178.183 178.183 176.160 2.023 18801 3185 1 7 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.411 -3.613 18801 3186 1 7 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.714 -1.758 18801 3187 1 7 . 1 1 15 15 LYS H H 15 7.749 7.749 7.867 -0.118 18801 3188 1 7 . 1 1 16 16 GLN N N 16 126.339 126.339 121.681 4.658 18801 3189 1 7 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.687 -1.142 18801 3190 1 7 . 1 1 16 16 GLN C C 16 176.604 176.604 177.810 -1.206 18801 3191 1 7 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.879 -2.440 18801 3192 1 7 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.389 -3.625 18801 3193 1 7 . 1 1 16 16 GLN H H 16 8.810 8.810 9.096 -0.286 18801 3194 1 7 . 1 1 17 17 SER N N 17 112.691 112.691 112.818 -0.127 18801 3195 1 7 . 1 1 17 17 SER HA H 17 3.841 3.841 4.159 -0.318 18801 3196 1 7 . 1 1 17 17 SER C C 17 176.880 176.880 175.090 1.790 18801 3197 1 7 . 1 1 17 17 SER CA C 17 58.169 58.169 60.870 -2.700 18801 3198 1 7 . 1 1 17 17 SER CB C 17 58.144 58.144 62.911 -4.767 18801 3199 1 7 . 1 1 17 17 SER H H 17 8.637 8.637 8.443 0.194 18801 3200 1 7 . 1 1 18 18 GLU N N 18 122.640 122.640 119.238 3.402 18801 3201 1 7 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.240 -0.196 18801 3202 1 7 . 1 1 18 18 GLU C C 18 176.035 176.035 177.481 -1.446 18801 3203 1 7 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.936 -2.885 18801 3204 1 7 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.378 -3.475 18801 3205 1 7 . 1 1 18 18 GLU H H 18 6.560 6.560 7.476 -0.916 18801 3206 1 7 . 1 1 19 19 ALA N N 19 122.963 122.963 121.746 1.217 18801 3207 1 7 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.143 -0.338 18801 3208 1 7 . 1 1 19 19 ALA C C 19 175.728 175.728 179.613 -3.885 18801 3209 1 7 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.758 -2.808 18801 3210 1 7 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.067 -4.577 18801 3211 1 7 . 1 1 19 19 ALA H H 19 7.435 7.435 7.580 -0.145 18801 3212 1 7 . 1 1 20 20 LEU N N 20 117.683 117.683 119.781 -2.098 18801 3213 1 7 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.071 -0.170 18801 3214 1 7 . 1 1 20 20 LEU C C 20 174.983 174.983 178.369 -3.386 18801 3215 1 7 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.817 -1.808 18801 3216 1 7 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.977 -3.136 18801 3217 1 7 . 1 1 20 20 LEU H H 20 8.204 8.204 8.229 -0.025 18801 3218 1 7 . 1 1 21 21 ALA N N 21 122.191 122.191 122.251 -0.060 18801 3219 1 7 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.278 -0.134 18801 3220 1 7 . 1 1 21 21 ALA C C 21 173.510 173.510 178.908 -5.398 18801 3221 1 7 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.453 -2.367 18801 3222 1 7 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.771 -2.909 18801 3223 1 7 . 1 1 21 21 ALA H H 21 7.432 7.432 8.161 -0.729 18801 3224 1 7 . 1 1 22 22 ILE N N 22 120.079 120.079 118.267 1.812 18801 3225 1 7 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.894 -0.491 18801 3226 1 7 . 1 1 22 22 ILE C C 22 177.128 177.128 177.077 0.051 18801 3227 1 7 . 1 1 22 22 ILE CA C 22 62.278 62.278 62.785 -0.507 18801 3228 1 7 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.149 -2.842 18801 3229 1 7 . 1 1 22 22 ILE H H 22 7.649 7.649 7.618 0.031 18801 3230 1 7 . 1 1 23 23 MET N N 23 118.682 118.682 113.137 5.545 18801 3231 1 7 . 1 1 23 23 MET HA H 23 4.260 4.260 4.612 -0.352 18801 3232 1 7 . 1 1 23 23 MET C C 23 175.086 175.086 175.953 -0.867 18801 3233 1 7 . 1 1 23 23 MET CA C 23 54.737 54.737 56.906 -2.169 18801 3234 1 7 . 1 1 23 23 MET CB C 23 27.240 27.240 33.084 -5.844 18801 3235 1 7 . 1 1 23 23 MET H H 23 8.008 8.008 7.464 0.544 18801 3236 1 7 . 1 1 24 24 GLU N N 24 118.261 118.261 117.789 0.472 18801 3237 1 7 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.370 -0.365 18801 3238 1 7 . 1 1 24 24 GLU C C 24 175.157 175.157 177.498 -2.341 18801 3239 1 7 . 1 1 24 24 GLU CA C 24 56.463 56.463 56.696 -0.233 18801 3240 1 7 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.683 -4.432 18801 3241 1 7 . 1 1 24 24 GLU H H 24 7.527 7.527 7.464 0.063 18801 3242 1 7 . 1 1 25 25 LYS N N 25 121.138 121.138 120.907 0.231 18801 3243 1 7 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.128 -0.119 18801 3244 1 7 . 1 1 25 25 LYS C C 25 174.603 174.603 178.810 -4.207 18801 3245 1 7 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.352 -2.491 18801 3246 1 7 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.687 -2.877 18801 3247 1 7 . 1 1 25 25 LYS H H 25 7.645 7.645 7.944 -0.299 18801 3248 1 7 . 1 1 26 26 LEU N N 26 121.410 121.410 119.366 2.044 18801 3249 1 7 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.120 0.061 18801 3250 1 7 . 1 1 26 26 LEU C C 26 172.921 172.921 179.357 -6.436 18801 3251 1 7 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.274 -2.367 18801 3252 1 7 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.372 -2.867 18801 3253 1 7 . 1 1 26 26 LEU H H 26 8.617 8.617 7.960 0.657 18801 3254 1 7 . 1 1 27 27 LYS N N 27 121.975 121.975 119.704 2.271 18801 3255 1 7 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.038 -0.015 18801 3256 1 7 . 1 1 27 27 LYS C C 27 176.493 176.493 177.315 -0.822 18801 3257 1 7 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.641 -2.029 18801 3258 1 7 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.852 -2.594 18801 3259 1 7 . 1 1 27 27 LYS H H 27 8.239 8.239 7.823 0.416 18801 3260 1 7 . 1 1 28 28 SER N N 28 113.123 113.123 111.464 1.659 18801 3261 1 7 . 1 1 28 28 SER HA H 28 4.472 4.472 4.412 0.060 18801 3262 1 7 . 1 1 28 28 SER C C 28 180.378 180.378 174.383 5.995 18801 3263 1 7 . 1 1 28 28 SER CA C 28 56.232 56.232 59.173 -2.941 18801 3264 1 7 . 1 1 28 28 SER CB C 28 60.798 60.798 64.483 -3.685 18801 3265 1 7 . 1 1 28 28 SER H H 28 7.620 7.620 7.897 -0.277 18801 3266 1 7 . 1 1 29 29 GLY N N 29 107.497 107.497 108.514 -1.017 18801 3267 1 7 . 1 1 29 29 GLY C C 29 179.552 179.552 173.496 6.056 18801 3268 1 7 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.624 -2.576 18801 3269 1 7 . 1 1 29 29 GLY H H 29 7.667 7.667 7.751 -0.084 18801 3270 1 7 . 1 1 30 30 GLU N N 30 121.320 121.320 119.042 2.278 18801 3271 1 7 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.483 -0.260 18801 3272 1 7 . 1 1 30 30 GLU C C 30 178.900 178.900 175.676 3.224 18801 3273 1 7 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.093 -0.890 18801 3274 1 7 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.882 -3.801 18801 3275 1 7 . 1 1 30 30 GLU H H 30 7.690 7.690 7.712 -0.022 18801 3276 1 7 . 1 1 31 31 LYS N N 31 122.239 122.239 119.978 2.261 18801 3277 1 7 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.678 -0.447 18801 3278 1 7 . 1 1 31 31 LYS C C 31 177.152 177.152 176.575 0.577 18801 3279 1 7 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.630 -1.296 18801 3280 1 7 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.987 -3.851 18801 3281 1 7 . 1 1 31 31 LYS H H 31 8.793 8.793 8.251 0.542 18801 3282 1 7 . 1 1 32 32 PHE N N 32 126.167 126.167 125.398 0.769 18801 3283 1 7 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.245 -0.610 18801 3284 1 7 . 1 1 32 32 PHE C C 32 177.437 177.437 177.158 0.279 18801 3285 1 7 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.043 -1.961 18801 3286 1 7 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.629 -2.103 18801 3287 1 7 . 1 1 32 32 PHE H H 32 9.002 9.002 9.077 -0.075 18801 3288 1 7 . 1 1 33 33 GLY N N 33 103.648 103.648 106.492 -2.844 18801 3289 1 7 . 1 1 33 33 GLY C C 33 179.280 179.280 175.936 3.344 18801 3290 1 7 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.030 -2.871 18801 3291 1 7 . 1 1 33 33 GLY H H 33 9.168 9.168 8.778 0.390 18801 3292 1 7 . 1 1 34 34 LYS N N 34 120.972 120.972 120.658 0.314 18801 3293 1 7 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.109 -0.139 18801 3294 1 7 . 1 1 34 34 LYS C C 34 176.326 176.326 177.169 -0.843 18801 3295 1 7 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.580 -2.338 18801 3296 1 7 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.258 -1.923 18801 3297 1 7 . 1 1 34 34 LYS H H 34 6.642 6.642 8.416 -1.774 18801 3298 1 7 . 1 1 35 35 LEU N N 35 118.154 118.154 116.366 1.788 18801 3299 1 7 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.472 -0.569 18801 3300 1 7 . 1 1 35 35 LEU C C 35 175.872 175.872 177.592 -1.720 18801 3301 1 7 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.584 -1.092 18801 3302 1 7 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.441 -3.671 18801 3303 1 7 . 1 1 35 35 LEU H H 35 7.425 7.425 7.634 -0.209 18801 3304 1 7 . 1 1 36 36 ALA N N 36 120.438 120.438 123.085 -2.647 18801 3305 1 7 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.167 -0.477 18801 3306 1 7 . 1 1 36 36 ALA C C 36 176.117 176.117 178.767 -2.650 18801 3307 1 7 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.441 -1.867 18801 3308 1 7 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.886 -4.155 18801 3309 1 7 . 1 1 36 36 ALA H H 36 8.229 8.229 7.907 0.322 18801 3310 1 7 . 1 1 37 37 LYS N N 37 116.463 116.463 115.430 1.033 18801 3311 1 7 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.434 -0.387 18801 3312 1 7 . 1 1 37 37 LYS C C 37 175.232 175.232 176.553 -1.321 18801 3313 1 7 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.563 -1.145 18801 3314 1 7 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.497 -2.540 18801 3315 1 7 . 1 1 37 37 LYS H H 37 7.568 7.568 7.834 -0.266 18801 3316 1 7 . 1 1 38 38 GLU N N 38 115.319 115.319 117.589 -2.270 18801 3317 1 7 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.397 -0.363 18801 3318 1 7 . 1 1 38 38 GLU C C 38 176.423 176.423 177.583 -1.160 18801 3319 1 7 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.766 -0.997 18801 3320 1 7 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.093 -2.804 18801 3321 1 7 . 1 1 38 38 GLU H H 38 7.766 7.766 7.370 0.396 18801 3322 1 7 . 1 1 39 39 LEU N N 39 114.689 114.689 120.186 -5.497 18801 3323 1 7 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.072 0.423 18801 3324 1 7 . 1 1 39 39 LEU C C 39 177.452 177.452 177.564 -0.112 18801 3325 1 7 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.990 -4.945 18801 3326 1 7 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.391 -0.570 18801 3327 1 7 . 1 1 39 39 LEU H H 39 8.214 8.214 8.096 0.118 18801 3328 1 7 . 1 1 40 40 SER N N 40 110.112 110.112 113.198 -3.086 18801 3329 1 7 . 1 1 40 40 SER HA H 40 4.617 4.617 4.416 0.201 18801 3330 1 7 . 1 1 40 40 SER C C 40 177.179 177.179 175.452 1.727 18801 3331 1 7 . 1 1 40 40 SER CA C 40 54.102 54.102 59.168 -5.066 18801 3332 1 7 . 1 1 40 40 SER CB C 40 62.559 62.559 62.999 -0.440 18801 3333 1 7 . 1 1 40 40 SER H H 40 7.848 7.848 7.660 0.188 18801 3334 1 7 . 1 1 41 41 ILE N N 41 119.941 119.941 119.038 0.903 18801 3335 1 7 . 1 1 41 41 ILE HA H 41 4.370 4.370 3.986 0.384 18801 3336 1 7 . 1 1 41 41 ILE C C 41 178.010 178.010 176.072 1.938 18801 3337 1 7 . 1 1 41 41 ILE CA C 41 58.878 58.878 62.046 -3.168 18801 3338 1 7 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.491 -4.146 18801 3339 1 7 . 1 1 41 41 ILE H H 41 9.126 9.126 8.410 0.716 18801 3340 1 7 . 1 1 42 42 ASP N N 42 120.547 120.547 120.838 -0.291 18801 3341 1 7 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.498 0.335 18801 3342 1 7 . 1 1 42 42 ASP C C 42 179.215 179.215 177.488 1.727 18801 3343 1 7 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.028 -4.710 18801 3344 1 7 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.972 -3.756 18801 3345 1 7 . 1 1 42 42 ASP H H 42 7.476 7.476 7.880 -0.404 18801 3346 1 7 . 1 1 43 43 SER N N 43 122.805 122.805 123.666 -0.861 18801 3347 1 7 . 1 1 43 43 SER HA H 43 4.115 4.115 4.156 -0.041 18801 3348 1 7 . 1 1 43 43 SER C C 43 178.349 178.349 175.400 2.949 18801 3349 1 7 . 1 1 43 43 SER CA C 43 58.425 58.425 60.255 -1.830 18801 3350 1 7 . 1 1 43 43 SER CB C 43 59.904 59.904 63.124 -3.220 18801 3351 1 7 . 1 1 43 43 SER H H 43 8.215 8.215 8.503 -0.288 18801 3352 1 7 . 1 1 44 44 GLY N N 44 107.974 107.974 107.990 -0.016 18801 3353 1 7 . 1 1 44 44 GLY C C 44 179.677 179.677 174.081 5.596 18801 3354 1 7 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.364 -0.552 18801 3355 1 7 . 1 1 44 44 GLY H H 44 8.384 8.384 7.872 0.512 18801 3356 1 7 . 1 1 45 45 SER N N 45 110.539 110.539 115.347 -4.808 18801 3357 1 7 . 1 1 45 45 SER HA H 45 4.493 4.493 4.514 -0.021 18801 3358 1 7 . 1 1 45 45 SER C C 45 176.530 176.530 175.237 1.293 18801 3359 1 7 . 1 1 45 45 SER CA C 45 56.718 56.718 59.157 -2.439 18801 3360 1 7 . 1 1 45 45 SER CB C 45 62.291 62.291 63.529 -1.238 18801 3361 1 7 . 1 1 45 45 SER H H 45 7.177 7.177 7.436 -0.259 18801 3362 1 7 . 1 1 46 46 ALA N N 46 132.579 132.579 126.479 6.100 18801 3363 1 7 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.426 -0.688 18801 3364 1 7 . 1 1 46 46 ALA C C 46 175.404 175.404 179.235 -3.831 18801 3365 1 7 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.869 -0.682 18801 3366 1 7 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.554 -2.617 18801 3367 1 7 . 1 1 46 46 ALA H H 46 8.726 8.726 7.917 0.809 18801 3368 1 7 . 1 1 47 47 LYS N N 47 111.990 111.990 116.476 -4.486 18801 3369 1 7 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.235 -0.128 18801 3370 1 7 . 1 1 47 47 LYS C C 47 177.450 177.450 177.106 0.344 18801 3371 1 7 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.720 -2.611 18801 3372 1 7 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.866 -4.017 18801 3373 1 7 . 1 1 47 47 LYS H H 47 7.668 7.668 8.200 -0.532 18801 3374 1 7 . 1 1 48 48 LYS N N 48 118.900 118.900 116.635 2.265 18801 3375 1 7 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.564 0.039 18801 3376 1 7 . 1 1 48 48 LYS C C 48 177.786 177.786 175.661 2.125 18801 3377 1 7 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.811 -3.297 18801 3378 1 7 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.770 -3.312 18801 3379 1 7 . 1 1 48 48 LYS H H 48 7.382 7.382 7.776 -0.394 18801 3380 1 7 . 1 1 49 49 ASN N N 49 115.995 115.995 117.797 -1.802 18801 3381 1 7 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.308 -0.050 18801 3382 1 7 . 1 1 49 49 ASN C C 49 180.354 180.354 175.736 4.618 18801 3383 1 7 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.702 -2.288 18801 3384 1 7 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.455 -4.133 18801 3385 1 7 . 1 1 49 49 ASN H H 49 8.021 8.021 8.195 -0.174 18801 3386 1 7 . 1 1 50 50 GLY N N 50 104.621 104.621 103.181 1.440 18801 3387 1 7 . 1 1 50 50 GLY C C 50 180.665 180.665 173.458 7.207 18801 3388 1 7 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.798 -3.265 18801 3389 1 7 . 1 1 50 50 GLY H H 50 8.512 8.512 8.791 -0.279 18801 3390 1 7 . 1 1 51 51 ASN N N 51 118.054 118.054 119.202 -1.148 18801 3391 1 7 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.595 0.204 18801 3392 1 7 . 1 1 51 51 ASN C C 51 179.848 179.848 175.304 4.544 18801 3393 1 7 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.316 -0.223 18801 3394 1 7 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.224 -2.427 18801 3395 1 7 . 1 1 51 51 ASN H H 51 7.146 7.146 8.163 -1.017 18801 3396 1 7 . 1 1 52 52 LEU N N 52 126.673 126.673 119.043 7.630 18801 3397 1 7 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.227 0.093 18801 3398 1 7 . 1 1 52 52 LEU C C 52 176.682 176.682 177.598 -0.916 18801 3399 1 7 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.492 -4.051 18801 3400 1 7 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.837 -1.375 18801 3401 1 7 . 1 1 52 52 LEU H H 52 8.607 8.607 7.826 0.781 18801 3402 1 7 . 1 1 53 53 GLY N N 53 108.525 108.525 106.806 1.719 18801 3403 1 7 . 1 1 53 53 GLY C C 53 182.708 182.708 173.767 8.941 18801 3404 1 7 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.277 -3.675 18801 3405 1 7 . 1 1 53 53 GLY H H 53 8.121 8.121 7.481 0.640 18801 3406 1 7 . 1 1 54 54 TYR N N 54 114.992 114.992 122.904 -7.912 18801 3407 1 7 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.223 -0.041 18801 3408 1 7 . 1 1 54 54 TYR C C 54 176.195 176.195 176.849 -0.654 18801 3409 1 7 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.047 -2.021 18801 3410 1 7 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.402 -2.007 18801 3411 1 7 . 1 1 54 54 TYR H H 54 8.187 8.187 8.320 -0.133 18801 3412 1 7 . 1 1 55 55 PHE N N 55 118.041 118.041 121.535 -3.494 18801 3413 1 7 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.087 0.016 18801 3414 1 7 . 1 1 55 55 PHE C C 55 181.875 181.875 173.274 8.601 18801 3415 1 7 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.647 -2.722 18801 3416 1 7 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.514 -3.347 18801 3417 1 7 . 1 1 55 55 PHE H H 55 9.093 9.093 8.453 0.640 18801 3418 1 7 . 1 1 56 56 THR N N 56 109.577 109.577 109.878 -0.301 18801 3419 1 7 . 1 1 56 56 THR HA H 56 5.267 5.267 3.950 1.317 18801 3420 1 7 . 1 1 56 56 THR C C 56 178.403 178.403 173.424 4.979 18801 3421 1 7 . 1 1 56 56 THR CA C 56 56.522 56.522 59.789 -3.267 18801 3422 1 7 . 1 1 56 56 THR CB C 56 69.673 69.673 71.672 -1.999 18801 3423 1 7 . 1 1 56 56 THR H H 56 7.949 7.949 7.789 0.160 18801 3424 1 7 . 1 1 57 57 LYS N N 57 121.639 121.639 121.573 0.066 18801 3425 1 7 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.395 -0.400 18801 3426 1 7 . 1 1 57 57 LYS C C 57 176.706 176.706 176.916 -0.210 18801 3427 1 7 . 1 1 57 57 LYS CA C 57 55.695 55.695 56.938 -1.244 18801 3428 1 7 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.879 -2.495 18801 3429 1 7 . 1 1 57 57 LYS H H 57 8.703 8.703 8.633 0.070 18801 3430 1 7 . 1 1 58 58 GLY N N 58 114.416 114.416 113.054 1.362 18801 3431 1 7 . 1 1 58 58 GLY C C 58 180.079 180.079 174.644 5.435 18801 3432 1 7 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.191 -2.832 18801 3433 1 7 . 1 1 58 58 GLY H H 58 10.495 10.495 9.188 1.307 18801 3434 1 7 . 1 1 59 59 MET N N 59 118.231 118.231 117.820 0.411 18801 3435 1 7 . 1 1 59 59 MET HA H 59 4.366 4.366 4.721 -0.355 18801 3436 1 7 . 1 1 59 59 MET C C 59 178.798 178.798 175.750 3.048 18801 3437 1 7 . 1 1 59 59 MET CA C 59 55.129 55.129 55.495 -0.366 18801 3438 1 7 . 1 1 59 59 MET CB C 59 32.196 32.196 33.652 -1.456 18801 3439 1 7 . 1 1 59 59 MET H H 59 7.681 7.681 8.200 -0.519 18801 3440 1 7 . 1 1 60 60 MET N N 60 118.667 118.667 118.076 0.591 18801 3441 1 7 . 1 1 60 60 MET HA H 60 4.629 4.629 4.829 -0.200 18801 3442 1 7 . 1 1 60 60 MET C C 60 178.834 178.834 175.046 3.788 18801 3443 1 7 . 1 1 60 60 MET CA C 60 49.108 49.108 54.028 -4.920 18801 3444 1 7 . 1 1 60 60 MET CB C 60 30.952 30.952 34.868 -3.916 18801 3445 1 7 . 1 1 60 60 MET H H 60 8.905 8.905 7.856 1.049 18801 3446 1 7 . 1 1 61 61 VAL N N 61 114.198 114.198 115.854 -1.656 18801 3447 1 7 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.463 -0.307 18801 3448 1 7 . 1 1 61 61 VAL C C 61 176.731 176.731 176.502 0.229 18801 3449 1 7 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.169 -0.804 18801 3450 1 7 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.636 -3.955 18801 3451 1 7 . 1 1 61 61 VAL H H 61 8.062 8.062 8.053 0.009 18801 3452 1 7 . 1 1 62 62 LYS N N 62 124.862 124.862 122.435 2.427 18801 3453 1 7 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.191 -0.042 18801 3454 1 7 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.137 -1.891 18801 3455 1 7 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.798 -3.648 18801 3456 1 7 . 1 1 62 62 LYS H H 62 8.736 8.736 8.889 -0.153 18801 3457 1 7 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.355 0.043 18801 3458 1 7 . 1 1 63 63 PRO C C 63 174.841 174.841 175.437 -0.596 18801 3459 1 7 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.517 -0.588 18801 3460 1 7 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.785 -1.558 18801 3461 1 7 . 1 1 64 64 PHE N N 64 115.340 115.340 118.244 -2.904 18801 3462 1 7 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.502 -0.868 18801 3463 1 7 . 1 1 64 64 PHE C C 64 178.782 178.782 175.242 3.540 18801 3464 1 7 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.901 -1.208 18801 3465 1 7 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.430 -3.156 18801 3466 1 7 . 1 1 64 64 PHE H H 64 6.870 6.870 8.013 -1.143 18801 3467 1 7 . 1 1 65 65 GLU N N 65 120.356 120.356 121.968 -1.612 18801 3468 1 7 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.006 -0.054 18801 3469 1 7 . 1 1 65 65 GLU C C 65 177.209 177.209 177.978 -0.769 18801 3470 1 7 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.276 -2.492 18801 3471 1 7 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.739 -1.650 18801 3472 1 7 . 1 1 65 65 GLU H H 65 8.429 8.429 8.652 -0.223 18801 3473 1 7 . 1 1 66 66 ASP N N 66 117.560 117.560 118.794 -1.234 18801 3474 1 7 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.270 0.033 18801 3475 1 7 . 1 1 66 66 ASP C C 66 176.337 176.337 175.836 0.501 18801 3476 1 7 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.243 -2.216 18801 3477 1 7 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.890 -3.368 18801 3478 1 7 . 1 1 66 66 ASP H H 66 8.925 8.925 7.767 1.158 18801 3479 1 7 . 1 1 67 67 ALA N N 67 117.959 117.959 119.398 -1.439 18801 3480 1 7 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.366 -0.241 18801 3481 1 7 . 1 1 67 67 ALA C C 67 174.155 174.155 176.087 -1.932 18801 3482 1 7 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.125 -0.018 18801 3483 1 7 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.951 -1.729 18801 3484 1 7 . 1 1 67 67 ALA H H 67 6.805 6.805 7.024 -0.219 18801 3485 1 7 . 1 1 68 68 ALA N N 68 120.884 120.884 120.805 0.079 18801 3486 1 7 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.090 -0.417 18801 3487 1 7 . 1 1 68 68 ALA C C 68 175.535 175.535 176.492 -0.957 18801 3488 1 7 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.400 -0.076 18801 3489 1 7 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.639 -4.684 18801 3490 1 7 . 1 1 68 68 ALA H H 68 8.836 8.836 6.904 1.932 18801 3491 1 7 . 1 1 69 69 PHE N N 69 110.173 110.173 112.492 -2.319 18801 3492 1 7 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.833 -0.831 18801 3493 1 7 . 1 1 69 69 PHE C C 69 178.751 178.751 175.140 3.611 18801 3494 1 7 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.975 2.505 18801 3495 1 7 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.672 -4.844 18801 3496 1 7 . 1 1 69 69 PHE H H 69 8.087 8.087 6.689 1.399 18801 3497 1 7 . 1 1 70 70 LYS N N 70 116.963 116.963 119.864 -2.901 18801 3498 1 7 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.460 -0.082 18801 3499 1 7 . 1 1 70 70 LYS C C 70 177.534 177.534 176.029 1.505 18801 3500 1 7 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.729 -3.127 18801 3501 1 7 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.956 -0.851 18801 3502 1 7 . 1 1 70 70 LYS H H 70 6.997 6.997 8.226 -1.229 18801 3503 1 7 . 1 1 71 71 LEU N N 71 118.952 118.952 119.702 -0.750 18801 3504 1 7 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.596 -0.402 18801 3505 1 7 . 1 1 71 71 LEU C C 71 176.388 176.388 176.122 0.266 18801 3506 1 7 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.842 -1.872 18801 3507 1 7 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.795 -2.853 18801 3508 1 7 . 1 1 71 71 LEU H H 71 6.933 6.933 7.383 -0.450 18801 3509 1 7 . 1 1 72 72 GLN N N 72 121.738 121.738 118.054 3.684 18801 3510 1 7 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.452 -0.132 18801 3511 1 7 . 1 1 72 72 GLN C C 72 177.973 177.973 175.832 2.141 18801 3512 1 7 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.629 -3.407 18801 3513 1 7 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.198 -3.592 18801 3514 1 7 . 1 1 72 72 GLN H H 72 9.040 9.040 8.217 0.823 18801 3515 1 7 . 1 1 73 73 VAL N N 73 122.076 122.076 120.917 1.159 18801 3516 1 7 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.878 -1.047 18801 3517 1 7 . 1 1 73 73 VAL C C 73 177.702 177.702 176.169 1.533 18801 3518 1 7 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.670 0.728 18801 3519 1 7 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.209 -2.751 18801 3520 1 7 . 1 1 73 73 VAL H H 73 8.759 8.759 8.342 0.417 18801 3521 1 7 . 1 1 74 74 GLY N N 74 117.298 117.298 116.029 1.269 18801 3522 1 7 . 1 1 74 74 GLY C C 74 181.597 181.597 173.385 8.212 18801 3523 1 7 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.510 -2.651 18801 3524 1 7 . 1 1 74 74 GLY H H 74 8.626 8.626 8.351 0.275 18801 3525 1 7 . 1 1 75 75 GLU N N 75 122.135 122.135 120.028 2.107 18801 3526 1 7 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.645 -0.509 18801 3527 1 7 . 1 1 75 75 GLU C C 75 180.891 180.891 175.194 5.697 18801 3528 1 7 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.119 -0.756 18801 3529 1 7 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.156 -2.747 18801 3530 1 7 . 1 1 75 75 GLU H H 75 7.877 7.877 7.575 0.302 18801 3531 1 7 . 1 1 76 76 VAL N N 76 121.950 121.950 121.874 0.076 18801 3532 1 7 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.474 0.466 18801 3533 1 7 . 1 1 76 76 VAL C C 76 177.920 177.920 176.376 1.544 18801 3534 1 7 . 1 1 76 76 VAL CA C 76 56.931 56.931 60.760 -3.829 18801 3535 1 7 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.898 -1.857 18801 3536 1 7 . 1 1 76 76 VAL H H 76 7.877 7.877 8.391 -0.514 18801 3537 1 7 . 1 1 77 77 SER N N 77 125.434 125.434 123.263 2.171 18801 3538 1 7 . 1 1 77 77 SER HA H 77 4.275 4.275 4.519 -0.244 18801 3539 1 7 . 1 1 77 77 SER C C 77 181.544 181.544 174.194 7.350 18801 3540 1 7 . 1 1 77 77 SER CA C 77 56.028 56.028 58.043 -2.015 18801 3541 1 7 . 1 1 77 77 SER CB C 77 62.729 62.729 65.233 -2.504 18801 3542 1 7 . 1 1 77 77 SER H H 77 9.611 9.611 9.046 0.565 18801 3543 1 7 . 1 1 78 78 GLU N N 78 114.680 114.680 116.900 -2.220 18801 3544 1 7 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.643 -0.032 18801 3545 1 7 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.675 0.071 18801 3546 1 7 . 1 1 78 78 GLU CB C 78 25.504 25.504 30.014 -4.510 18801 3547 1 7 . 1 1 78 78 GLU H H 78 7.589 7.589 8.572 -0.983 18801 3548 1 7 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.512 0.218 18801 3549 1 7 . 1 1 79 79 PRO C C 79 177.642 177.642 175.714 1.928 18801 3550 1 7 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.799 -2.321 18801 3551 1 7 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.753 -2.453 18801 3552 1 7 . 1 1 80 80 ILE N N 80 127.418 127.418 125.149 2.269 18801 3553 1 7 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.122 0.378 18801 3554 1 7 . 1 1 80 80 ILE C C 80 179.315 179.315 175.971 3.344 18801 3555 1 7 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.348 -4.640 18801 3556 1 7 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.021 0.097 18801 3557 1 7 . 1 1 80 80 ILE H H 80 9.614 9.614 8.098 1.516 18801 3558 1 7 . 1 1 81 81 LYS N N 81 129.156 129.156 130.350 -1.194 18801 3559 1 7 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.208 0.068 18801 3560 1 7 . 1 1 81 81 LYS C C 81 179.186 179.186 175.603 3.583 18801 3561 1 7 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.909 -4.029 18801 3562 1 7 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.658 -1.853 18801 3563 1 7 . 1 1 81 81 LYS H H 81 8.637 8.637 8.784 -0.147 18801 3564 1 7 . 1 1 82 82 SER N N 82 125.346 125.346 123.049 2.297 18801 3565 1 7 . 1 1 82 82 SER HA H 82 4.836 4.836 4.740 0.096 18801 3566 1 7 . 1 1 82 82 SER C C 82 179.369 179.369 173.646 5.723 18801 3567 1 7 . 1 1 82 82 SER CA C 82 53.893 53.893 56.438 -2.545 18801 3568 1 7 . 1 1 82 82 SER CB C 82 64.579 64.579 65.471 -0.892 18801 3569 1 7 . 1 1 82 82 SER H H 82 9.532 9.532 8.112 1.420 18801 3570 1 7 . 1 1 83 83 GLU N N 83 118.760 118.760 120.436 -1.676 18801 3571 1 7 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.984 0.064 18801 3572 1 7 . 1 1 83 83 GLU C C 83 177.803 177.803 176.568 1.235 18801 3573 1 7 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.872 -3.514 18801 3574 1 7 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.060 -2.715 18801 3575 1 7 . 1 1 83 83 GLU H H 83 9.535 9.535 8.611 0.924 18801 3576 1 7 . 1 1 84 84 PHE N N 84 118.360 118.360 117.889 0.471 18801 3577 1 7 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.537 -0.009 18801 3578 1 7 . 1 1 84 84 PHE C C 84 179.367 179.367 175.849 3.518 18801 3579 1 7 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.641 -2.522 18801 3580 1 7 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.656 -2.620 18801 3581 1 7 . 1 1 84 84 PHE H H 84 8.803 8.803 7.981 0.822 18801 3582 1 7 . 1 1 85 85 GLY N N 85 107.365 107.365 105.558 1.807 18801 3583 1 7 . 1 1 85 85 GLY C C 85 184.805 184.805 173.092 11.713 18801 3584 1 7 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.286 -2.608 18801 3585 1 7 . 1 1 85 85 GLY H H 85 7.323 7.323 7.452 -0.129 18801 3586 1 7 . 1 1 86 86 TYR N N 86 119.303 119.303 122.870 -3.567 18801 3587 1 7 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.718 0.277 18801 3588 1 7 . 1 1 86 86 TYR C C 86 180.178 180.178 175.767 4.411 18801 3589 1 7 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.238 -3.862 18801 3590 1 7 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.382 0.061 18801 3591 1 7 . 1 1 86 86 TYR H H 86 8.990 8.990 7.891 1.099 18801 3592 1 7 . 1 1 87 87 HIS N N 87 120.588 120.588 124.024 -3.436 18801 3593 1 7 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.149 0.382 18801 3594 1 7 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.929 -4.456 18801 3595 1 7 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.351 -3.172 18801 3596 1 7 . 1 1 87 87 HIS H H 87 9.791 9.791 8.672 1.119 18801 3597 1 7 . 1 1 88 88 ILE N N 88 122.986 122.986 127.662 -4.676 18801 3598 1 7 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.472 -0.427 18801 3599 1 7 . 1 1 88 88 ILE C C 88 179.375 179.375 175.685 3.690 18801 3600 1 7 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.198 0.025 18801 3601 1 7 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.553 0.800 18801 3602 1 7 . 1 1 88 88 ILE H H 88 9.161 9.161 8.204 0.957 18801 3603 1 7 . 1 1 89 89 ILE N N 89 128.220 128.220 129.131 -0.911 18801 3604 1 7 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.532 0.249 18801 3605 1 7 . 1 1 89 89 ILE C C 89 181.174 181.174 175.101 6.073 18801 3606 1 7 . 1 1 89 89 ILE CA C 89 57.728 57.728 60.901 -3.173 18801 3607 1 7 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.708 -0.112 18801 3608 1 7 . 1 1 89 89 ILE H H 89 8.568 8.568 8.097 0.471 18801 3609 1 7 . 1 1 90 90 LYS N N 90 125.284 125.284 127.438 -2.154 18801 3610 1 7 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.141 0.023 18801 3611 1 7 . 1 1 90 90 LYS C C 90 179.565 179.565 175.618 3.947 18801 3612 1 7 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.057 -2.686 18801 3613 1 7 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.673 -3.018 18801 3614 1 7 . 1 1 90 90 LYS H H 90 8.580 8.580 8.475 0.105 18801 3615 1 7 . 1 1 91 91 ARG N N 91 126.331 126.331 126.843 -0.512 18801 3616 1 7 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.459 0.558 18801 3617 1 7 . 1 1 91 91 ARG C C 91 179.376 179.376 175.534 3.842 18801 3618 1 7 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.548 -4.635 18801 3619 1 7 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.030 -3.468 18801 3620 1 7 . 1 1 91 91 ARG H H 91 7.641 7.641 8.217 -0.576 18801 3621 1 7 . 1 1 92 92 PHE N N 92 127.260 127.260 123.451 3.809 18801 3622 1 7 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.617 -0.111 18801 3623 1 7 . 1 1 92 92 PHE C C 92 179.492 179.492 176.589 2.903 18801 3624 1 7 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.025 -1.787 18801 3625 1 7 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.062 -1.456 18801 3626 1 7 . 1 1 92 92 PHE H H 92 9.044 9.044 8.161 0.883 18801 3627 1 8 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.947 -0.478 18801 3628 1 8 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.832 -2.583 18801 3629 1 8 . 1 1 2 2 PRO CB C 2 29.536 29.536 33.603 -4.067 18801 3630 1 8 . 1 1 3 3 SER N N 3 116.356 116.356 114.339 2.017 18801 3631 1 8 . 1 1 3 3 SER HA H 3 4.457 4.457 4.631 -0.174 18801 3632 1 8 . 1 1 3 3 SER CA C 3 55.255 55.255 57.583 -2.328 18801 3633 1 8 . 1 1 3 3 SER CB C 3 61.066 61.066 64.451 -3.385 18801 3634 1 8 . 1 1 3 3 SER H H 3 8.502 8.502 8.063 0.439 18801 3635 1 8 . 1 1 4 4 ASN N N 4 120.863 120.863 119.930 0.933 18801 3636 1 8 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.709 -0.013 18801 3637 1 8 . 1 1 4 4 ASN C C 4 180.499 180.499 173.830 6.669 18801 3638 1 8 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.363 -2.627 18801 3639 1 8 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.597 -3.796 18801 3640 1 8 . 1 1 4 4 ASN H H 4 8.463 8.463 8.601 -0.138 18801 3641 1 8 . 1 1 5 5 LYS N N 5 119.444 119.444 118.438 1.006 18801 3642 1 8 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.123 -0.027 18801 3643 1 8 . 1 1 5 5 LYS C C 5 179.306 179.306 174.905 4.401 18801 3644 1 8 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.685 -2.736 18801 3645 1 8 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.903 -3.262 18801 3646 1 8 . 1 1 5 5 LYS H H 5 7.965 7.965 7.703 0.262 18801 3647 1 8 . 1 1 6 6 ILE N N 6 115.941 115.941 114.178 1.763 18801 3648 1 8 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.781 0.780 18801 3649 1 8 . 1 1 6 6 ILE C C 6 183.130 183.130 174.289 8.841 18801 3650 1 8 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.465 -1.747 18801 3651 1 8 . 1 1 6 6 ILE CB C 6 39.704 39.704 41.901 -2.196 18801 3652 1 8 . 1 1 6 6 ILE H H 6 8.133 8.133 7.846 0.287 18801 3653 1 8 . 1 1 7 7 LYS N N 7 122.265 122.265 123.422 -1.157 18801 3654 1 8 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.702 0.053 18801 3655 1 8 . 1 1 7 7 LYS C C 7 177.364 177.364 176.882 0.482 18801 3656 1 8 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.400 -6.172 18801 3657 1 8 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.277 -2.091 18801 3658 1 8 . 1 1 7 7 LYS H H 7 8.155 8.155 8.324 -0.169 18801 3659 1 8 . 1 1 8 8 CYS N N 8 118.452 118.452 118.816 -0.364 18801 3660 1 8 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.133 0.622 18801 3661 1 8 . 1 1 8 8 CYS C C 8 181.803 181.803 172.628 9.175 18801 3662 1 8 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.610 -4.010 18801 3663 1 8 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.273 0.312 18801 3664 1 8 . 1 1 8 8 CYS H H 8 7.243 7.243 8.363 -1.120 18801 3665 1 8 . 1 1 9 9 SER N N 9 115.559 115.559 115.307 0.252 18801 3666 1 8 . 1 1 9 9 SER HA H 9 5.777 5.777 5.343 0.434 18801 3667 1 8 . 1 1 9 9 SER C C 9 181.609 181.609 173.335 8.274 18801 3668 1 8 . 1 1 9 9 SER CA C 9 53.256 53.256 56.862 -3.606 18801 3669 1 8 . 1 1 9 9 SER CB C 9 64.431 64.431 65.377 -0.946 18801 3670 1 8 . 1 1 9 9 SER H H 9 9.148 9.148 8.335 0.813 18801 3671 1 8 . 1 1 10 10 HIS N N 10 119.227 119.227 113.791 5.436 18801 3672 1 8 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.363 1.128 18801 3673 1 8 . 1 1 10 10 HIS CA C 10 51.244 51.244 56.000 -4.756 18801 3674 1 8 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.371 2.277 18801 3675 1 8 . 1 1 10 10 HIS H H 10 9.626 9.626 8.799 0.827 18801 3676 1 8 . 1 1 11 11 ILE N N 11 121.859 121.859 121.536 0.323 18801 3677 1 8 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.353 -0.945 18801 3678 1 8 . 1 1 11 11 ILE C C 11 182.235 182.235 174.185 8.050 18801 3679 1 8 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.133 -1.525 18801 3680 1 8 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.492 -2.935 18801 3681 1 8 . 1 1 11 11 ILE H H 11 8.978 8.978 8.893 0.085 18801 3682 1 8 . 1 1 12 12 LEU N N 12 128.789 128.789 128.315 0.474 18801 3683 1 8 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.437 -0.389 18801 3684 1 8 . 1 1 12 12 LEU C C 12 180.111 180.111 176.616 3.495 18801 3685 1 8 . 1 1 12 12 LEU CA C 12 49.529 49.529 52.964 -3.435 18801 3686 1 8 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.413 -1.139 18801 3687 1 8 . 1 1 12 12 LEU H H 12 7.659 7.659 8.034 -0.375 18801 3688 1 8 . 1 1 13 13 VAL N N 13 117.652 117.652 117.504 0.148 18801 3689 1 8 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.713 0.210 18801 3690 1 8 . 1 1 13 13 VAL C C 13 178.956 178.956 175.410 3.546 18801 3691 1 8 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.217 -3.861 18801 3692 1 8 . 1 1 13 13 VAL CB C 13 32.245 32.245 35.435 -3.190 18801 3693 1 8 . 1 1 13 13 VAL H H 13 8.916 8.916 7.827 1.089 18801 3694 1 8 . 1 1 14 14 SER N N 14 115.236 115.236 113.299 1.937 18801 3695 1 8 . 1 1 14 14 SER HA H 14 4.591 4.591 4.794 -0.203 18801 3696 1 8 . 1 1 14 14 SER C C 14 179.440 179.440 174.763 4.677 18801 3697 1 8 . 1 1 14 14 SER CA C 14 58.302 58.302 57.648 0.654 18801 3698 1 8 . 1 1 14 14 SER CB C 14 61.585 61.585 63.911 -2.326 18801 3699 1 8 . 1 1 14 14 SER H H 14 8.799 8.799 8.526 0.273 18801 3700 1 8 . 1 1 15 15 LYS N N 15 117.100 117.100 120.826 -3.726 18801 3701 1 8 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.805 0.008 18801 3702 1 8 . 1 1 15 15 LYS C C 15 178.183 178.183 175.987 2.196 18801 3703 1 8 . 1 1 15 15 LYS CA C 15 51.798 51.798 54.820 -3.022 18801 3704 1 8 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.257 -2.301 18801 3705 1 8 . 1 1 15 15 LYS H H 15 7.749 7.749 7.719 0.030 18801 3706 1 8 . 1 1 16 16 GLN N N 16 126.339 126.339 121.867 4.472 18801 3707 1 8 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.559 -1.014 18801 3708 1 8 . 1 1 16 16 GLN C C 16 176.604 176.604 177.734 -1.130 18801 3709 1 8 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.203 -2.764 18801 3710 1 8 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.662 -3.898 18801 3711 1 8 . 1 1 16 16 GLN H H 16 8.810 8.810 8.937 -0.127 18801 3712 1 8 . 1 1 17 17 SER N N 17 112.691 112.691 114.064 -1.373 18801 3713 1 8 . 1 1 17 17 SER HA H 17 3.841 3.841 4.203 -0.362 18801 3714 1 8 . 1 1 17 17 SER C C 17 176.880 176.880 175.317 1.563 18801 3715 1 8 . 1 1 17 17 SER CA C 17 58.169 58.169 60.559 -2.390 18801 3716 1 8 . 1 1 17 17 SER CB C 17 58.144 58.144 62.756 -4.612 18801 3717 1 8 . 1 1 17 17 SER H H 17 8.637 8.637 8.417 0.220 18801 3718 1 8 . 1 1 18 18 GLU N N 18 122.640 122.640 120.018 2.622 18801 3719 1 8 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.129 -0.085 18801 3720 1 8 . 1 1 18 18 GLU C C 18 176.035 176.035 177.458 -1.423 18801 3721 1 8 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.392 -3.341 18801 3722 1 8 . 1 1 18 18 GLU CB C 18 26.903 26.903 29.634 -2.731 18801 3723 1 8 . 1 1 18 18 GLU H H 18 6.560 6.560 7.984 -1.424 18801 3724 1 8 . 1 1 19 19 ALA N N 19 122.963 122.963 120.624 2.339 18801 3725 1 8 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.237 -0.432 18801 3726 1 8 . 1 1 19 19 ALA C C 19 175.728 175.728 179.300 -3.572 18801 3727 1 8 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.382 -2.432 18801 3728 1 8 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.306 -4.816 18801 3729 1 8 . 1 1 19 19 ALA H H 19 7.435 7.435 7.472 -0.037 18801 3730 1 8 . 1 1 20 20 LEU N N 20 117.683 117.683 118.721 -1.038 18801 3731 1 8 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.164 -0.263 18801 3732 1 8 . 1 1 20 20 LEU C C 20 174.983 174.983 177.058 -2.075 18801 3733 1 8 . 1 1 20 20 LEU CA C 20 55.009 55.009 55.559 -0.550 18801 3734 1 8 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.255 -3.414 18801 3735 1 8 . 1 1 20 20 LEU H H 20 8.204 8.204 8.226 -0.022 18801 3736 1 8 . 1 1 21 21 ALA N N 21 122.191 122.191 120.460 1.731 18801 3737 1 8 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.423 -0.279 18801 3738 1 8 . 1 1 21 21 ALA C C 21 173.510 173.510 178.962 -5.452 18801 3739 1 8 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.240 -2.154 18801 3740 1 8 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.413 -3.551 18801 3741 1 8 . 1 1 21 21 ALA H H 21 7.432 7.432 7.622 -0.190 18801 3742 1 8 . 1 1 22 22 ILE N N 22 120.079 120.079 118.907 1.172 18801 3743 1 8 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.742 -0.339 18801 3744 1 8 . 1 1 22 22 ILE C C 22 177.128 177.128 177.236 -0.108 18801 3745 1 8 . 1 1 22 22 ILE CA C 22 62.278 62.278 64.515 -2.237 18801 3746 1 8 . 1 1 22 22 ILE CB C 22 34.307 34.307 38.108 -3.801 18801 3747 1 8 . 1 1 22 22 ILE H H 22 7.649 7.649 7.335 0.314 18801 3748 1 8 . 1 1 23 23 MET N N 23 118.682 118.682 114.691 3.991 18801 3749 1 8 . 1 1 23 23 MET HA H 23 4.260 4.260 4.441 -0.181 18801 3750 1 8 . 1 1 23 23 MET C C 23 175.086 175.086 176.040 -0.954 18801 3751 1 8 . 1 1 23 23 MET CA C 23 54.737 54.737 57.497 -2.760 18801 3752 1 8 . 1 1 23 23 MET CB C 23 27.240 27.240 32.816 -5.576 18801 3753 1 8 . 1 1 23 23 MET H H 23 8.008 8.008 7.458 0.550 18801 3754 1 8 . 1 1 24 24 GLU N N 24 118.261 118.261 117.515 0.746 18801 3755 1 8 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.300 -0.295 18801 3756 1 8 . 1 1 24 24 GLU C C 24 175.157 175.157 177.626 -2.469 18801 3757 1 8 . 1 1 24 24 GLU CA C 24 56.463 56.463 56.858 -0.395 18801 3758 1 8 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.218 -3.967 18801 3759 1 8 . 1 1 24 24 GLU H H 24 7.527 7.527 7.409 0.118 18801 3760 1 8 . 1 1 25 25 LYS N N 25 121.138 121.138 120.063 1.075 18801 3761 1 8 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.169 -0.160 18801 3762 1 8 . 1 1 25 25 LYS C C 25 174.603 174.603 178.951 -4.348 18801 3763 1 8 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.451 -1.590 18801 3764 1 8 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.709 -2.900 18801 3765 1 8 . 1 1 25 25 LYS H H 25 7.645 7.645 8.032 -0.387 18801 3766 1 8 . 1 1 26 26 LEU N N 26 121.410 121.410 119.196 2.214 18801 3767 1 8 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.094 0.087 18801 3768 1 8 . 1 1 26 26 LEU C C 26 172.921 172.921 179.173 -6.252 18801 3769 1 8 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.273 -2.365 18801 3770 1 8 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.406 -2.901 18801 3771 1 8 . 1 1 26 26 LEU H H 26 8.617 8.617 7.645 0.972 18801 3772 1 8 . 1 1 27 27 LYS N N 27 121.975 121.975 119.272 2.703 18801 3773 1 8 . 1 1 27 27 LYS HA H 27 4.023 4.023 3.988 0.035 18801 3774 1 8 . 1 1 27 27 LYS C C 27 176.493 176.493 177.471 -0.978 18801 3775 1 8 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.836 -2.224 18801 3776 1 8 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.040 -2.782 18801 3777 1 8 . 1 1 27 27 LYS H H 27 8.239 8.239 7.721 0.518 18801 3778 1 8 . 1 1 28 28 SER N N 28 113.123 113.123 111.817 1.306 18801 3779 1 8 . 1 1 28 28 SER HA H 28 4.472 4.472 4.391 0.081 18801 3780 1 8 . 1 1 28 28 SER C C 28 180.378 180.378 174.751 5.627 18801 3781 1 8 . 1 1 28 28 SER CA C 28 56.232 56.232 58.973 -2.741 18801 3782 1 8 . 1 1 28 28 SER CB C 28 60.798 60.798 64.328 -3.530 18801 3783 1 8 . 1 1 28 28 SER H H 28 7.620 7.620 7.872 -0.252 18801 3784 1 8 . 1 1 29 29 GLY N N 29 107.497 107.497 108.678 -1.181 18801 3785 1 8 . 1 1 29 29 GLY C C 29 179.552 179.552 173.859 5.693 18801 3786 1 8 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.800 -2.752 18801 3787 1 8 . 1 1 29 29 GLY H H 29 7.667 7.667 7.776 -0.109 18801 3788 1 8 . 1 1 30 30 GLU N N 30 121.320 121.320 119.861 1.459 18801 3789 1 8 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.568 -0.345 18801 3790 1 8 . 1 1 30 30 GLU C C 30 178.900 178.900 175.623 3.277 18801 3791 1 8 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.475 -0.273 18801 3792 1 8 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.452 -4.371 18801 3793 1 8 . 1 1 30 30 GLU H H 30 7.690 7.690 7.806 -0.116 18801 3794 1 8 . 1 1 31 31 LYS N N 31 122.239 122.239 120.367 1.872 18801 3795 1 8 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.664 -0.433 18801 3796 1 8 . 1 1 31 31 LYS C C 31 177.152 177.152 176.738 0.414 18801 3797 1 8 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.467 -1.133 18801 3798 1 8 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.865 -3.729 18801 3799 1 8 . 1 1 31 31 LYS H H 31 8.793 8.793 8.228 0.565 18801 3800 1 8 . 1 1 32 32 PHE N N 32 126.167 126.167 125.720 0.447 18801 3801 1 8 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.221 -0.586 18801 3802 1 8 . 1 1 32 32 PHE C C 32 177.437 177.437 177.265 0.172 18801 3803 1 8 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.010 -1.928 18801 3804 1 8 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.532 -2.006 18801 3805 1 8 . 1 1 32 32 PHE H H 32 9.002 9.002 9.144 -0.142 18801 3806 1 8 . 1 1 33 33 GLY N N 33 103.648 103.648 105.944 -2.296 18801 3807 1 8 . 1 1 33 33 GLY C C 33 179.280 179.280 176.174 3.106 18801 3808 1 8 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.871 -2.712 18801 3809 1 8 . 1 1 33 33 GLY H H 33 9.168 9.168 8.711 0.457 18801 3810 1 8 . 1 1 34 34 LYS N N 34 120.972 120.972 121.002 -0.030 18801 3811 1 8 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.112 -0.142 18801 3812 1 8 . 1 1 34 34 LYS C C 34 176.326 176.326 177.650 -1.324 18801 3813 1 8 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.548 -2.306 18801 3814 1 8 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.241 -1.906 18801 3815 1 8 . 1 1 34 34 LYS H H 34 6.642 6.642 7.523 -0.881 18801 3816 1 8 . 1 1 35 35 LEU N N 35 118.154 118.154 115.658 2.496 18801 3817 1 8 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.840 -0.937 18801 3818 1 8 . 1 1 35 35 LEU C C 35 175.872 175.872 178.045 -2.173 18801 3819 1 8 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.291 -0.799 18801 3820 1 8 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.527 -3.757 18801 3821 1 8 . 1 1 35 35 LEU H H 35 7.425 7.425 7.626 -0.201 18801 3822 1 8 . 1 1 36 36 ALA N N 36 120.438 120.438 122.468 -2.030 18801 3823 1 8 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.960 -0.270 18801 3824 1 8 . 1 1 36 36 ALA C C 36 176.117 176.117 178.360 -2.243 18801 3825 1 8 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.796 -2.222 18801 3826 1 8 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.321 -3.590 18801 3827 1 8 . 1 1 36 36 ALA H H 36 8.229 8.229 8.054 0.175 18801 3828 1 8 . 1 1 37 37 LYS N N 37 116.463 116.463 115.198 1.265 18801 3829 1 8 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.487 -0.440 18801 3830 1 8 . 1 1 37 37 LYS C C 37 175.232 175.232 176.529 -1.297 18801 3831 1 8 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.032 -0.614 18801 3832 1 8 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.705 -2.748 18801 3833 1 8 . 1 1 37 37 LYS H H 37 7.568 7.568 7.849 -0.281 18801 3834 1 8 . 1 1 38 38 GLU N N 38 115.319 115.319 117.533 -2.214 18801 3835 1 8 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.422 -0.388 18801 3836 1 8 . 1 1 38 38 GLU C C 38 176.423 176.423 177.816 -1.393 18801 3837 1 8 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.791 -1.022 18801 3838 1 8 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.115 -1.826 18801 3839 1 8 . 1 1 38 38 GLU H H 38 7.766 7.766 7.413 0.353 18801 3840 1 8 . 1 1 39 39 LEU N N 39 114.689 114.689 120.404 -5.715 18801 3841 1 8 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.107 0.388 18801 3842 1 8 . 1 1 39 39 LEU C C 39 177.452 177.452 177.721 -0.269 18801 3843 1 8 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.592 -4.547 18801 3844 1 8 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.406 -0.586 18801 3845 1 8 . 1 1 39 39 LEU H H 39 8.214 8.214 7.957 0.257 18801 3846 1 8 . 1 1 40 40 SER N N 40 110.112 110.112 113.318 -3.206 18801 3847 1 8 . 1 1 40 40 SER HA H 40 4.617 4.617 4.393 0.225 18801 3848 1 8 . 1 1 40 40 SER C C 40 177.179 177.179 175.640 1.539 18801 3849 1 8 . 1 1 40 40 SER CA C 40 54.102 54.102 59.216 -5.114 18801 3850 1 8 . 1 1 40 40 SER CB C 40 62.559 62.559 63.027 -0.468 18801 3851 1 8 . 1 1 40 40 SER H H 40 7.848 7.848 7.519 0.329 18801 3852 1 8 . 1 1 41 41 ILE N N 41 119.941 119.941 120.474 -0.533 18801 3853 1 8 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.047 0.323 18801 3854 1 8 . 1 1 41 41 ILE C C 41 178.010 178.010 175.808 2.202 18801 3855 1 8 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.602 -2.724 18801 3856 1 8 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.301 -3.956 18801 3857 1 8 . 1 1 41 41 ILE H H 41 9.126 9.126 7.785 1.341 18801 3858 1 8 . 1 1 42 42 ASP N N 42 120.547 120.547 121.038 -0.491 18801 3859 1 8 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.475 0.358 18801 3860 1 8 . 1 1 42 42 ASP C C 42 179.215 179.215 177.158 2.057 18801 3861 1 8 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.286 -4.968 18801 3862 1 8 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.774 -3.558 18801 3863 1 8 . 1 1 42 42 ASP H H 42 7.476 7.476 7.908 -0.432 18801 3864 1 8 . 1 1 43 43 SER N N 43 122.805 122.805 122.073 0.732 18801 3865 1 8 . 1 1 43 43 SER HA H 43 4.115 4.115 4.190 -0.075 18801 3866 1 8 . 1 1 43 43 SER C C 43 178.349 178.349 175.990 2.359 18801 3867 1 8 . 1 1 43 43 SER CA C 43 58.425 58.425 61.035 -2.610 18801 3868 1 8 . 1 1 43 43 SER CB C 43 59.904 59.904 63.376 -3.472 18801 3869 1 8 . 1 1 43 43 SER H H 43 8.215 8.215 8.602 -0.387 18801 3870 1 8 . 1 1 44 44 GLY N N 44 107.974 107.974 107.885 0.089 18801 3871 1 8 . 1 1 44 44 GLY C C 44 179.677 179.677 173.033 6.644 18801 3872 1 8 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.020 -1.209 18801 3873 1 8 . 1 1 44 44 GLY H H 44 8.384 8.384 8.172 0.212 18801 3874 1 8 . 1 1 45 45 SER N N 45 110.539 110.539 115.177 -4.638 18801 3875 1 8 . 1 1 45 45 SER HA H 45 4.493 4.493 4.483 0.010 18801 3876 1 8 . 1 1 45 45 SER C C 45 176.530 176.530 175.182 1.348 18801 3877 1 8 . 1 1 45 45 SER CA C 45 56.718 56.718 58.922 -2.204 18801 3878 1 8 . 1 1 45 45 SER CB C 45 62.291 62.291 63.625 -1.334 18801 3879 1 8 . 1 1 45 45 SER H H 45 7.177 7.177 7.514 -0.337 18801 3880 1 8 . 1 1 46 46 ALA N N 46 132.579 132.579 126.051 6.528 18801 3881 1 8 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.536 -0.798 18801 3882 1 8 . 1 1 46 46 ALA C C 46 175.404 175.404 178.899 -3.495 18801 3883 1 8 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.513 -0.326 18801 3884 1 8 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.509 -2.572 18801 3885 1 8 . 1 1 46 46 ALA H H 46 8.726 8.726 8.032 0.694 18801 3886 1 8 . 1 1 47 47 LYS N N 47 111.990 111.990 117.977 -5.987 18801 3887 1 8 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.239 -0.132 18801 3888 1 8 . 1 1 47 47 LYS C C 47 177.450 177.450 176.957 0.493 18801 3889 1 8 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.620 -2.511 18801 3890 1 8 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.525 -3.676 18801 3891 1 8 . 1 1 47 47 LYS H H 47 7.668 7.668 8.242 -0.574 18801 3892 1 8 . 1 1 48 48 LYS N N 48 118.900 118.900 116.668 2.232 18801 3893 1 8 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.558 0.045 18801 3894 1 8 . 1 1 48 48 LYS C C 48 177.786 177.786 175.918 1.868 18801 3895 1 8 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.965 -3.451 18801 3896 1 8 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.493 -3.035 18801 3897 1 8 . 1 1 48 48 LYS H H 48 7.382 7.382 7.733 -0.351 18801 3898 1 8 . 1 1 49 49 ASN N N 49 115.995 115.995 117.822 -1.827 18801 3899 1 8 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.312 -0.054 18801 3900 1 8 . 1 1 49 49 ASN C C 49 180.354 180.354 175.751 4.603 18801 3901 1 8 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.656 -2.242 18801 3902 1 8 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.502 -4.180 18801 3903 1 8 . 1 1 49 49 ASN H H 49 8.021 8.021 8.247 -0.226 18801 3904 1 8 . 1 1 50 50 GLY N N 50 104.621 104.621 103.270 1.351 18801 3905 1 8 . 1 1 50 50 GLY C C 50 180.665 180.665 173.387 7.278 18801 3906 1 8 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.878 -3.345 18801 3907 1 8 . 1 1 50 50 GLY H H 50 8.512 8.512 8.800 -0.288 18801 3908 1 8 . 1 1 51 51 ASN N N 51 118.054 118.054 119.040 -0.986 18801 3909 1 8 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.615 0.184 18801 3910 1 8 . 1 1 51 51 ASN C C 51 179.848 179.848 175.245 4.603 18801 3911 1 8 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.097 -0.004 18801 3912 1 8 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.307 -2.510 18801 3913 1 8 . 1 1 51 51 ASN H H 51 7.146 7.146 8.186 -1.040 18801 3914 1 8 . 1 1 52 52 LEU N N 52 126.673 126.673 118.977 7.696 18801 3915 1 8 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.219 0.101 18801 3916 1 8 . 1 1 52 52 LEU C C 52 176.682 176.682 177.579 -0.897 18801 3917 1 8 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.400 -3.959 18801 3918 1 8 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.690 -1.228 18801 3919 1 8 . 1 1 52 52 LEU H H 52 8.607 8.607 7.833 0.774 18801 3920 1 8 . 1 1 53 53 GLY N N 53 108.525 108.525 106.864 1.661 18801 3921 1 8 . 1 1 53 53 GLY C C 53 182.708 182.708 173.887 8.821 18801 3922 1 8 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.308 -3.706 18801 3923 1 8 . 1 1 53 53 GLY H H 53 8.121 8.121 7.439 0.682 18801 3924 1 8 . 1 1 54 54 TYR N N 54 114.992 114.992 122.670 -7.678 18801 3925 1 8 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.135 0.047 18801 3926 1 8 . 1 1 54 54 TYR C C 54 176.195 176.195 176.864 -0.669 18801 3927 1 8 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.226 -2.200 18801 3928 1 8 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.332 -1.937 18801 3929 1 8 . 1 1 54 54 TYR H H 54 8.187 8.187 8.316 -0.129 18801 3930 1 8 . 1 1 55 55 PHE N N 55 118.041 118.041 123.152 -5.111 18801 3931 1 8 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.121 -0.018 18801 3932 1 8 . 1 1 55 55 PHE C C 55 181.875 181.875 173.271 8.604 18801 3933 1 8 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.306 -3.381 18801 3934 1 8 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.040 -3.873 18801 3935 1 8 . 1 1 55 55 PHE H H 55 9.093 9.093 8.744 0.349 18801 3936 1 8 . 1 1 56 56 THR N N 56 109.577 109.577 108.053 1.524 18801 3937 1 8 . 1 1 56 56 THR HA H 56 5.267 5.267 4.029 1.238 18801 3938 1 8 . 1 1 56 56 THR C C 56 178.403 178.403 173.258 5.145 18801 3939 1 8 . 1 1 56 56 THR CA C 56 56.522 56.522 59.705 -3.183 18801 3940 1 8 . 1 1 56 56 THR CB C 56 69.673 69.673 71.167 -1.494 18801 3941 1 8 . 1 1 56 56 THR H H 56 7.949 7.949 7.811 0.138 18801 3942 1 8 . 1 1 57 57 LYS N N 57 121.639 121.639 120.849 0.790 18801 3943 1 8 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.351 -0.356 18801 3944 1 8 . 1 1 57 57 LYS C C 57 176.706 176.706 176.920 -0.214 18801 3945 1 8 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.043 -1.348 18801 3946 1 8 . 1 1 57 57 LYS CB C 57 29.384 29.384 32.163 -2.780 18801 3947 1 8 . 1 1 57 57 LYS H H 57 8.703 8.703 8.614 0.089 18801 3948 1 8 . 1 1 58 58 GLY N N 58 114.416 114.416 113.251 1.165 18801 3949 1 8 . 1 1 58 58 GLY C C 58 180.079 180.079 174.603 5.476 18801 3950 1 8 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.196 -2.837 18801 3951 1 8 . 1 1 58 58 GLY H H 58 10.495 10.495 9.156 1.339 18801 3952 1 8 . 1 1 59 59 MET N N 59 118.231 118.231 117.938 0.293 18801 3953 1 8 . 1 1 59 59 MET HA H 59 4.366 4.366 4.690 -0.324 18801 3954 1 8 . 1 1 59 59 MET C C 59 178.798 178.798 175.755 3.043 18801 3955 1 8 . 1 1 59 59 MET CA C 59 55.129 55.129 55.600 -0.471 18801 3956 1 8 . 1 1 59 59 MET CB C 59 32.196 32.196 33.774 -1.578 18801 3957 1 8 . 1 1 59 59 MET H H 59 7.681 7.681 8.241 -0.560 18801 3958 1 8 . 1 1 60 60 MET N N 60 118.667 118.667 118.186 0.481 18801 3959 1 8 . 1 1 60 60 MET HA H 60 4.629 4.629 4.830 -0.201 18801 3960 1 8 . 1 1 60 60 MET C C 60 178.834 178.834 175.148 3.686 18801 3961 1 8 . 1 1 60 60 MET CA C 60 49.108 49.108 53.988 -4.880 18801 3962 1 8 . 1 1 60 60 MET CB C 60 30.952 30.952 34.710 -3.758 18801 3963 1 8 . 1 1 60 60 MET H H 60 8.905 8.905 7.900 1.005 18801 3964 1 8 . 1 1 61 61 VAL N N 61 114.198 114.198 115.829 -1.631 18801 3965 1 8 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.512 -0.356 18801 3966 1 8 . 1 1 61 61 VAL C C 61 176.731 176.731 176.512 0.219 18801 3967 1 8 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.430 -1.065 18801 3968 1 8 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.548 -3.867 18801 3969 1 8 . 1 1 61 61 VAL H H 61 8.062 8.062 8.034 0.028 18801 3970 1 8 . 1 1 62 62 LYS N N 62 124.862 124.862 122.755 2.107 18801 3971 1 8 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.183 -0.034 18801 3972 1 8 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.168 -0.922 18801 3973 1 8 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.565 -3.415 18801 3974 1 8 . 1 1 62 62 LYS H H 62 8.736 8.736 8.927 -0.191 18801 3975 1 8 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.381 0.017 18801 3976 1 8 . 1 1 63 63 PRO C C 63 174.841 174.841 175.505 -0.664 18801 3977 1 8 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.332 -0.404 18801 3978 1 8 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.885 -1.658 18801 3979 1 8 . 1 1 64 64 PHE N N 64 115.340 115.340 118.526 -3.186 18801 3980 1 8 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.400 -0.766 18801 3981 1 8 . 1 1 64 64 PHE C C 64 178.782 178.782 174.382 4.400 18801 3982 1 8 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.392 -1.699 18801 3983 1 8 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.074 -2.800 18801 3984 1 8 . 1 1 64 64 PHE H H 64 6.870 6.870 7.993 -1.123 18801 3985 1 8 . 1 1 65 65 GLU N N 65 120.356 120.356 120.569 -0.213 18801 3986 1 8 . 1 1 65 65 GLU HA H 65 3.952 3.952 3.999 -0.047 18801 3987 1 8 . 1 1 65 65 GLU C C 65 177.209 177.209 177.951 -0.742 18801 3988 1 8 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.439 -1.655 18801 3989 1 8 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.181 -2.092 18801 3990 1 8 . 1 1 65 65 GLU H H 65 8.429 8.429 8.417 0.012 18801 3991 1 8 . 1 1 66 66 ASP N N 66 117.560 117.560 120.285 -2.725 18801 3992 1 8 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.239 0.064 18801 3993 1 8 . 1 1 66 66 ASP C C 66 176.337 176.337 176.918 -0.581 18801 3994 1 8 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.842 -2.815 18801 3995 1 8 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.778 -3.256 18801 3996 1 8 . 1 1 66 66 ASP H H 66 8.925 8.925 7.584 1.341 18801 3997 1 8 . 1 1 67 67 ALA N N 67 117.959 117.959 118.560 -0.601 18801 3998 1 8 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.365 -0.240 18801 3999 1 8 . 1 1 67 67 ALA C C 67 174.155 174.155 176.438 -2.283 18801 4000 1 8 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.250 -0.143 18801 4001 1 8 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.516 -0.294 18801 4002 1 8 . 1 1 67 67 ALA H H 67 6.805 6.805 7.948 -1.143 18801 4003 1 8 . 1 1 68 68 ALA N N 68 120.884 120.884 120.462 0.422 18801 4004 1 8 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.032 -0.359 18801 4005 1 8 . 1 1 68 68 ALA C C 68 175.535 175.535 176.490 -0.955 18801 4006 1 8 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.333 -0.009 18801 4007 1 8 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.547 -4.592 18801 4008 1 8 . 1 1 68 68 ALA H H 68 8.836 8.836 6.902 1.934 18801 4009 1 8 . 1 1 69 69 PHE N N 69 110.173 110.173 111.593 -1.420 18801 4010 1 8 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.879 -0.877 18801 4011 1 8 . 1 1 69 69 PHE C C 69 178.751 178.751 174.994 3.757 18801 4012 1 8 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.944 2.536 18801 4013 1 8 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.522 -4.694 18801 4014 1 8 . 1 1 69 69 PHE H H 69 8.087 8.087 6.834 1.253 18801 4015 1 8 . 1 1 70 70 LYS N N 70 116.963 116.963 120.225 -3.262 18801 4016 1 8 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.389 -0.011 18801 4017 1 8 . 1 1 70 70 LYS C C 70 177.534 177.534 175.947 1.587 18801 4018 1 8 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.782 -3.180 18801 4019 1 8 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.348 -1.243 18801 4020 1 8 . 1 1 70 70 LYS H H 70 6.997 6.997 8.072 -1.075 18801 4021 1 8 . 1 1 71 71 LEU N N 71 118.952 118.952 119.472 -0.520 18801 4022 1 8 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.503 -0.309 18801 4023 1 8 . 1 1 71 71 LEU C C 71 176.388 176.388 176.403 -0.015 18801 4024 1 8 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.388 -1.418 18801 4025 1 8 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.831 -2.889 18801 4026 1 8 . 1 1 71 71 LEU H H 71 6.933 6.933 7.348 -0.415 18801 4027 1 8 . 1 1 72 72 GLN N N 72 121.738 121.738 118.139 3.599 18801 4028 1 8 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.409 -0.089 18801 4029 1 8 . 1 1 72 72 GLN C C 72 177.973 177.973 175.712 2.261 18801 4030 1 8 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.838 -3.616 18801 4031 1 8 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.923 -4.317 18801 4032 1 8 . 1 1 72 72 GLN H H 72 9.040 9.040 8.493 0.547 18801 4033 1 8 . 1 1 73 73 VAL N N 73 122.076 122.076 121.591 0.485 18801 4034 1 8 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.863 -1.032 18801 4035 1 8 . 1 1 73 73 VAL C C 73 177.702 177.702 176.464 1.238 18801 4036 1 8 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.658 0.740 18801 4037 1 8 . 1 1 73 73 VAL CB C 73 27.458 27.458 29.541 -2.083 18801 4038 1 8 . 1 1 73 73 VAL H H 73 8.759 8.759 8.462 0.297 18801 4039 1 8 . 1 1 74 74 GLY N N 74 117.298 117.298 115.781 1.517 18801 4040 1 8 . 1 1 74 74 GLY C C 74 181.597 181.597 173.396 8.201 18801 4041 1 8 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.481 -2.622 18801 4042 1 8 . 1 1 74 74 GLY H H 74 8.626 8.626 8.281 0.345 18801 4043 1 8 . 1 1 75 75 GLU N N 75 122.135 122.135 119.979 2.156 18801 4044 1 8 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.711 -0.575 18801 4045 1 8 . 1 1 75 75 GLU C C 75 180.891 180.891 175.256 5.635 18801 4046 1 8 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.773 -1.410 18801 4047 1 8 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.737 -3.328 18801 4048 1 8 . 1 1 75 75 GLU H H 75 7.877 7.877 8.059 -0.182 18801 4049 1 8 . 1 1 76 76 VAL N N 76 121.950 121.950 122.341 -0.391 18801 4050 1 8 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.463 0.477 18801 4051 1 8 . 1 1 76 76 VAL C C 76 177.920 177.920 175.919 2.001 18801 4052 1 8 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.200 -4.269 18801 4053 1 8 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.320 -2.279 18801 4054 1 8 . 1 1 76 76 VAL H H 76 7.877 7.877 8.371 -0.494 18801 4055 1 8 . 1 1 77 77 SER N N 77 125.434 125.434 121.862 3.572 18801 4056 1 8 . 1 1 77 77 SER HA H 77 4.275 4.275 4.549 -0.274 18801 4057 1 8 . 1 1 77 77 SER C C 77 181.544 181.544 174.753 6.791 18801 4058 1 8 . 1 1 77 77 SER CA C 77 56.028 56.028 57.690 -1.662 18801 4059 1 8 . 1 1 77 77 SER CB C 77 62.729 62.729 65.082 -2.353 18801 4060 1 8 . 1 1 77 77 SER H H 77 9.611 9.611 8.930 0.681 18801 4061 1 8 . 1 1 78 78 GLU N N 78 114.680 114.680 120.973 -6.293 18801 4062 1 8 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.395 0.216 18801 4063 1 8 . 1 1 78 78 GLU CA C 78 52.746 52.746 55.204 -2.458 18801 4064 1 8 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.752 -4.248 18801 4065 1 8 . 1 1 78 78 GLU H H 78 7.589 7.589 8.617 -1.028 18801 4066 1 8 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.489 0.241 18801 4067 1 8 . 1 1 79 79 PRO C C 79 177.642 177.642 175.865 1.777 18801 4068 1 8 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.860 -2.382 18801 4069 1 8 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.794 -2.494 18801 4070 1 8 . 1 1 80 80 ILE N N 80 127.418 127.418 126.042 1.376 18801 4071 1 8 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.153 0.347 18801 4072 1 8 . 1 1 80 80 ILE C C 80 179.315 179.315 175.888 3.427 18801 4073 1 8 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.745 -5.037 18801 4074 1 8 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.041 0.077 18801 4075 1 8 . 1 1 80 80 ILE H H 80 9.614 9.614 7.898 1.716 18801 4076 1 8 . 1 1 81 81 LYS N N 81 129.156 129.156 130.809 -1.653 18801 4077 1 8 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.124 0.152 18801 4078 1 8 . 1 1 81 81 LYS C C 81 179.186 179.186 175.579 3.607 18801 4079 1 8 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.965 -4.085 18801 4080 1 8 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.674 -1.869 18801 4081 1 8 . 1 1 81 81 LYS H H 81 8.637 8.637 8.802 -0.165 18801 4082 1 8 . 1 1 82 82 SER N N 82 125.346 125.346 122.807 2.539 18801 4083 1 8 . 1 1 82 82 SER HA H 82 4.836 4.836 4.740 0.096 18801 4084 1 8 . 1 1 82 82 SER C C 82 179.369 179.369 173.770 5.599 18801 4085 1 8 . 1 1 82 82 SER CA C 82 53.893 53.893 56.624 -2.732 18801 4086 1 8 . 1 1 82 82 SER CB C 82 64.579 64.579 65.824 -1.245 18801 4087 1 8 . 1 1 82 82 SER H H 82 9.532 9.532 8.103 1.429 18801 4088 1 8 . 1 1 83 83 GLU N N 83 118.760 118.760 120.307 -1.547 18801 4089 1 8 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.967 0.081 18801 4090 1 8 . 1 1 83 83 GLU C C 83 177.803 177.803 176.429 1.374 18801 4091 1 8 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.481 -3.123 18801 4092 1 8 . 1 1 83 83 GLU CB C 83 26.345 26.345 28.946 -2.601 18801 4093 1 8 . 1 1 83 83 GLU H H 83 9.535 9.535 8.673 0.862 18801 4094 1 8 . 1 1 84 84 PHE N N 84 118.360 118.360 118.720 -0.360 18801 4095 1 8 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.563 -0.035 18801 4096 1 8 . 1 1 84 84 PHE C C 84 179.367 179.367 175.622 3.745 18801 4097 1 8 . 1 1 84 84 PHE CA C 84 55.118 55.118 58.177 -3.059 18801 4098 1 8 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.918 -2.882 18801 4099 1 8 . 1 1 84 84 PHE H H 84 8.803 8.803 7.814 0.989 18801 4100 1 8 . 1 1 85 85 GLY N N 85 107.365 107.365 105.515 1.850 18801 4101 1 8 . 1 1 85 85 GLY C C 85 184.805 184.805 173.052 11.753 18801 4102 1 8 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.295 -2.617 18801 4103 1 8 . 1 1 85 85 GLY H H 85 7.323 7.323 7.385 -0.062 18801 4104 1 8 . 1 1 86 86 TYR N N 86 119.303 119.303 122.764 -3.461 18801 4105 1 8 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.759 0.236 18801 4106 1 8 . 1 1 86 86 TYR C C 86 180.178 180.178 175.923 4.255 18801 4107 1 8 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.327 -3.951 18801 4108 1 8 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.310 0.133 18801 4109 1 8 . 1 1 86 86 TYR H H 86 8.990 8.990 7.802 1.188 18801 4110 1 8 . 1 1 87 87 HIS N N 87 120.588 120.588 124.269 -3.681 18801 4111 1 8 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.167 0.364 18801 4112 1 8 . 1 1 87 87 HIS CA C 87 51.473 51.473 56.024 -4.551 18801 4113 1 8 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.379 -3.200 18801 4114 1 8 . 1 1 87 87 HIS H H 87 9.791 9.791 8.704 1.087 18801 4115 1 8 . 1 1 88 88 ILE N N 88 122.986 122.986 127.439 -4.453 18801 4116 1 8 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.460 -0.415 18801 4117 1 8 . 1 1 88 88 ILE C C 88 179.375 179.375 175.687 3.688 18801 4118 1 8 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.132 0.091 18801 4119 1 8 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.474 0.879 18801 4120 1 8 . 1 1 88 88 ILE H H 88 9.161 9.161 8.307 0.854 18801 4121 1 8 . 1 1 89 89 ILE N N 89 128.220 128.220 128.250 -0.030 18801 4122 1 8 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.422 0.359 18801 4123 1 8 . 1 1 89 89 ILE C C 89 181.174 181.174 175.077 6.097 18801 4124 1 8 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.304 -3.576 18801 4125 1 8 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.412 0.184 18801 4126 1 8 . 1 1 89 89 ILE H H 89 8.568 8.568 7.834 0.734 18801 4127 1 8 . 1 1 90 90 LYS N N 90 125.284 125.284 127.220 -1.936 18801 4128 1 8 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.182 -0.018 18801 4129 1 8 . 1 1 90 90 LYS C C 90 179.565 179.565 175.683 3.882 18801 4130 1 8 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.287 -2.916 18801 4131 1 8 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.769 -3.114 18801 4132 1 8 . 1 1 90 90 LYS H H 90 8.580 8.580 7.836 0.744 18801 4133 1 8 . 1 1 91 91 ARG N N 91 126.331 126.331 127.085 -0.754 18801 4134 1 8 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.439 0.578 18801 4135 1 8 . 1 1 91 91 ARG C C 91 179.376 179.376 175.396 3.980 18801 4136 1 8 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.521 -4.608 18801 4137 1 8 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.027 -3.466 18801 4138 1 8 . 1 1 91 91 ARG H H 91 7.641 7.641 8.210 -0.569 18801 4139 1 8 . 1 1 92 92 PHE N N 92 127.260 127.260 125.248 2.012 18801 4140 1 8 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.633 -0.127 18801 4141 1 8 . 1 1 92 92 PHE C C 92 179.492 179.492 176.508 2.984 18801 4142 1 8 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.341 -2.103 18801 4143 1 8 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.613 -1.007 18801 4144 1 8 . 1 1 92 92 PHE H H 92 9.044 9.044 8.023 1.021 18801 4145 1 9 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.527 -0.058 18801 4146 1 9 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.196 -1.947 18801 4147 1 9 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.762 -3.226 18801 4148 1 9 . 1 1 3 3 SER N N 3 116.356 116.356 116.625 -0.269 18801 4149 1 9 . 1 1 3 3 SER HA H 3 4.457 4.457 4.492 -0.035 18801 4150 1 9 . 1 1 3 3 SER CA C 3 55.255 55.255 58.529 -3.274 18801 4151 1 9 . 1 1 3 3 SER CB C 3 61.066 61.066 63.082 -2.016 18801 4152 1 9 . 1 1 3 3 SER H H 3 8.502 8.502 8.366 0.136 18801 4153 1 9 . 1 1 4 4 ASN N N 4 120.863 120.863 123.080 -2.217 18801 4154 1 9 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.814 -0.118 18801 4155 1 9 . 1 1 4 4 ASN C C 4 180.499 180.499 173.752 6.747 18801 4156 1 9 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.498 -2.762 18801 4157 1 9 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.899 -4.098 18801 4158 1 9 . 1 1 4 4 ASN H H 4 8.463 8.463 8.378 0.085 18801 4159 1 9 . 1 1 5 5 LYS N N 5 119.444 119.444 117.162 2.282 18801 4160 1 9 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.196 -0.100 18801 4161 1 9 . 1 1 5 5 LYS C C 5 179.306 179.306 174.800 4.506 18801 4162 1 9 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.550 -2.602 18801 4163 1 9 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.384 -2.743 18801 4164 1 9 . 1 1 5 5 LYS H H 5 7.965 7.965 7.674 0.291 18801 4165 1 9 . 1 1 6 6 ILE N N 6 115.941 115.941 113.967 1.974 18801 4166 1 9 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.808 0.753 18801 4167 1 9 . 1 1 6 6 ILE C C 6 183.130 183.130 174.472 8.658 18801 4168 1 9 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.453 -2.735 18801 4169 1 9 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.174 -2.470 18801 4170 1 9 . 1 1 6 6 ILE H H 6 8.133 8.133 7.958 0.175 18801 4171 1 9 . 1 1 7 7 LYS N N 7 122.265 122.265 123.035 -0.770 18801 4172 1 9 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.724 0.031 18801 4173 1 9 . 1 1 7 7 LYS C C 7 177.364 177.364 176.879 0.485 18801 4174 1 9 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.099 -5.871 18801 4175 1 9 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.354 -2.168 18801 4176 1 9 . 1 1 7 7 LYS H H 7 8.155 8.155 8.290 -0.135 18801 4177 1 9 . 1 1 8 8 CYS N N 8 118.452 118.452 119.318 -0.866 18801 4178 1 9 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.210 0.545 18801 4179 1 9 . 1 1 8 8 CYS C C 8 181.803 181.803 172.510 9.293 18801 4180 1 9 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.401 -3.801 18801 4181 1 9 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.308 0.277 18801 4182 1 9 . 1 1 8 8 CYS H H 8 7.243 7.243 8.418 -1.175 18801 4183 1 9 . 1 1 9 9 SER N N 9 115.559 115.559 114.934 0.625 18801 4184 1 9 . 1 1 9 9 SER HA H 9 5.777 5.777 5.368 0.409 18801 4185 1 9 . 1 1 9 9 SER C C 9 181.609 181.609 173.214 8.395 18801 4186 1 9 . 1 1 9 9 SER CA C 9 53.256 53.256 56.802 -3.546 18801 4187 1 9 . 1 1 9 9 SER CB C 9 64.431 64.431 65.706 -1.275 18801 4188 1 9 . 1 1 9 9 SER H H 9 9.148 9.148 8.304 0.844 18801 4189 1 9 . 1 1 10 10 HIS N N 10 119.227 119.227 114.037 5.190 18801 4190 1 9 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.313 1.178 18801 4191 1 9 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.984 -4.740 18801 4192 1 9 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.332 2.316 18801 4193 1 9 . 1 1 10 10 HIS H H 10 9.626 9.626 8.795 0.831 18801 4194 1 9 . 1 1 11 11 ILE N N 11 121.859 121.859 122.020 -0.161 18801 4195 1 9 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.214 -0.806 18801 4196 1 9 . 1 1 11 11 ILE C C 11 182.235 182.235 174.117 8.118 18801 4197 1 9 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.141 -1.533 18801 4198 1 9 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.172 -2.615 18801 4199 1 9 . 1 1 11 11 ILE H H 11 8.978 8.978 8.906 0.072 18801 4200 1 9 . 1 1 12 12 LEU N N 12 128.789 128.789 129.244 -0.455 18801 4201 1 9 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.411 -0.363 18801 4202 1 9 . 1 1 12 12 LEU C C 12 180.111 180.111 176.553 3.558 18801 4203 1 9 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.175 -3.646 18801 4204 1 9 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.820 -0.546 18801 4205 1 9 . 1 1 12 12 LEU H H 12 7.659 7.659 8.094 -0.435 18801 4206 1 9 . 1 1 13 13 VAL N N 13 117.652 117.652 119.914 -2.262 18801 4207 1 9 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.827 0.096 18801 4208 1 9 . 1 1 13 13 VAL C C 13 178.956 178.956 175.241 3.715 18801 4209 1 9 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.240 -2.884 18801 4210 1 9 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.187 -1.942 18801 4211 1 9 . 1 1 13 13 VAL H H 13 8.916 8.916 7.782 1.134 18801 4212 1 9 . 1 1 14 14 SER N N 14 115.236 115.236 115.266 -0.030 18801 4213 1 9 . 1 1 14 14 SER HA H 14 4.591 4.591 4.567 0.024 18801 4214 1 9 . 1 1 14 14 SER C C 14 179.440 179.440 174.683 4.757 18801 4215 1 9 . 1 1 14 14 SER CA C 14 58.302 58.302 58.837 -0.535 18801 4216 1 9 . 1 1 14 14 SER CB C 14 61.585 61.585 63.838 -2.253 18801 4217 1 9 . 1 1 14 14 SER H H 14 8.799 8.799 8.417 0.382 18801 4218 1 9 . 1 1 15 15 LYS N N 15 117.100 117.100 119.405 -2.305 18801 4219 1 9 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.865 -0.052 18801 4220 1 9 . 1 1 15 15 LYS C C 15 178.183 178.183 176.282 1.901 18801 4221 1 9 . 1 1 15 15 LYS CA C 15 51.798 51.798 54.912 -3.114 18801 4222 1 9 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.301 -2.345 18801 4223 1 9 . 1 1 15 15 LYS H H 15 7.749 7.749 7.965 -0.216 18801 4224 1 9 . 1 1 16 16 GLN N N 16 126.339 126.339 122.312 4.027 18801 4225 1 9 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.692 -1.147 18801 4226 1 9 . 1 1 16 16 GLN C C 16 176.604 176.604 178.030 -1.426 18801 4227 1 9 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.003 -2.564 18801 4228 1 9 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.483 -3.719 18801 4229 1 9 . 1 1 16 16 GLN H H 16 8.810 8.810 9.111 -0.301 18801 4230 1 9 . 1 1 17 17 SER N N 17 112.691 112.691 113.048 -0.357 18801 4231 1 9 . 1 1 17 17 SER HA H 17 3.841 3.841 4.132 -0.291 18801 4232 1 9 . 1 1 17 17 SER C C 17 176.880 176.880 175.383 1.497 18801 4233 1 9 . 1 1 17 17 SER CA C 17 58.169 58.169 60.547 -2.378 18801 4234 1 9 . 1 1 17 17 SER CB C 17 58.144 58.144 62.885 -4.741 18801 4235 1 9 . 1 1 17 17 SER H H 17 8.637 8.637 8.301 0.336 18801 4236 1 9 . 1 1 18 18 GLU N N 18 122.640 122.640 118.849 3.791 18801 4237 1 9 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.370 -0.326 18801 4238 1 9 . 1 1 18 18 GLU C C 18 176.035 176.035 177.253 -1.218 18801 4239 1 9 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.966 -2.915 18801 4240 1 9 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.392 -3.489 18801 4241 1 9 . 1 1 18 18 GLU H H 18 6.560 6.560 7.486 -0.926 18801 4242 1 9 . 1 1 19 19 ALA N N 19 122.963 122.963 121.475 1.488 18801 4243 1 9 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.107 -0.302 18801 4244 1 9 . 1 1 19 19 ALA C C 19 175.728 175.728 179.514 -3.786 18801 4245 1 9 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.818 -2.868 18801 4246 1 9 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.047 -4.557 18801 4247 1 9 . 1 1 19 19 ALA H H 19 7.435 7.435 7.512 -0.077 18801 4248 1 9 . 1 1 20 20 LEU N N 20 117.683 117.683 119.865 -2.182 18801 4249 1 9 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.055 -0.154 18801 4250 1 9 . 1 1 20 20 LEU C C 20 174.983 174.983 178.861 -3.878 18801 4251 1 9 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.948 -1.939 18801 4252 1 9 . 1 1 20 20 LEU CB C 20 38.841 38.841 40.739 -1.898 18801 4253 1 9 . 1 1 20 20 LEU H H 20 8.204 8.204 8.215 -0.011 18801 4254 1 9 . 1 1 21 21 ALA N N 21 122.191 122.191 122.157 0.034 18801 4255 1 9 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.116 0.028 18801 4256 1 9 . 1 1 21 21 ALA C C 21 173.510 173.510 179.215 -5.705 18801 4257 1 9 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.466 -2.380 18801 4258 1 9 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.024 -3.162 18801 4259 1 9 . 1 1 21 21 ALA H H 21 7.432 7.432 7.957 -0.525 18801 4260 1 9 . 1 1 22 22 ILE N N 22 120.079 120.079 118.069 2.010 18801 4261 1 9 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.898 -0.495 18801 4262 1 9 . 1 1 22 22 ILE C C 22 177.128 177.128 176.863 0.265 18801 4263 1 9 . 1 1 22 22 ILE CA C 22 62.278 62.278 62.340 -0.062 18801 4264 1 9 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.148 -2.841 18801 4265 1 9 . 1 1 22 22 ILE H H 22 7.649 7.649 7.965 -0.316 18801 4266 1 9 . 1 1 23 23 MET N N 23 118.682 118.682 113.742 4.940 18801 4267 1 9 . 1 1 23 23 MET HA H 23 4.260 4.260 4.630 -0.370 18801 4268 1 9 . 1 1 23 23 MET C C 23 175.086 175.086 175.674 -0.588 18801 4269 1 9 . 1 1 23 23 MET CA C 23 54.737 54.737 56.942 -2.205 18801 4270 1 9 . 1 1 23 23 MET CB C 23 27.240 27.240 33.124 -5.884 18801 4271 1 9 . 1 1 23 23 MET H H 23 8.008 8.008 7.458 0.550 18801 4272 1 9 . 1 1 24 24 GLU N N 24 118.261 118.261 118.368 -0.107 18801 4273 1 9 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.330 -0.325 18801 4274 1 9 . 1 1 24 24 GLU C C 24 175.157 175.157 178.028 -2.871 18801 4275 1 9 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.125 -0.662 18801 4276 1 9 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.854 -3.603 18801 4277 1 9 . 1 1 24 24 GLU H H 24 7.527 7.527 7.382 0.145 18801 4278 1 9 . 1 1 25 25 LYS N N 25 121.138 121.138 120.687 0.451 18801 4279 1 9 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.127 -0.118 18801 4280 1 9 . 1 1 25 25 LYS C C 25 174.603 174.603 178.866 -4.263 18801 4281 1 9 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.551 -1.690 18801 4282 1 9 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.368 -2.559 18801 4283 1 9 . 1 1 25 25 LYS H H 25 7.645 7.645 8.020 -0.375 18801 4284 1 9 . 1 1 26 26 LEU N N 26 121.410 121.410 118.954 2.456 18801 4285 1 9 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.128 0.053 18801 4286 1 9 . 1 1 26 26 LEU C C 26 172.921 172.921 179.313 -6.392 18801 4287 1 9 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.274 -2.367 18801 4288 1 9 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.257 -2.752 18801 4289 1 9 . 1 1 26 26 LEU H H 26 8.617 8.617 8.018 0.599 18801 4290 1 9 . 1 1 27 27 LYS N N 27 121.975 121.975 119.177 2.798 18801 4291 1 9 . 1 1 27 27 LYS HA H 27 4.023 4.023 3.998 0.025 18801 4292 1 9 . 1 1 27 27 LYS C C 27 176.493 176.493 177.493 -1.000 18801 4293 1 9 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.784 -2.172 18801 4294 1 9 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.049 -2.791 18801 4295 1 9 . 1 1 27 27 LYS H H 27 8.239 8.239 7.687 0.552 18801 4296 1 9 . 1 1 28 28 SER N N 28 113.123 113.123 111.706 1.417 18801 4297 1 9 . 1 1 28 28 SER HA H 28 4.472 4.472 4.383 0.089 18801 4298 1 9 . 1 1 28 28 SER C C 28 180.378 180.378 174.950 5.428 18801 4299 1 9 . 1 1 28 28 SER CA C 28 56.232 56.232 58.989 -2.757 18801 4300 1 9 . 1 1 28 28 SER CB C 28 60.798 60.798 64.393 -3.595 18801 4301 1 9 . 1 1 28 28 SER H H 28 7.620 7.620 7.848 -0.228 18801 4302 1 9 . 1 1 29 29 GLY N N 29 107.497 107.497 108.919 -1.422 18801 4303 1 9 . 1 1 29 29 GLY C C 29 179.552 179.552 173.777 5.775 18801 4304 1 9 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.601 -2.553 18801 4305 1 9 . 1 1 29 29 GLY H H 29 7.667 7.667 7.848 -0.181 18801 4306 1 9 . 1 1 30 30 GLU N N 30 121.320 121.320 119.007 2.313 18801 4307 1 9 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.494 -0.271 18801 4308 1 9 . 1 1 30 30 GLU C C 30 178.900 178.900 175.849 3.051 18801 4309 1 9 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.985 -0.783 18801 4310 1 9 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.619 -3.538 18801 4311 1 9 . 1 1 30 30 GLU H H 30 7.690 7.690 7.724 -0.034 18801 4312 1 9 . 1 1 31 31 LYS N N 31 122.239 122.239 120.362 1.877 18801 4313 1 9 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.678 -0.447 18801 4314 1 9 . 1 1 31 31 LYS C C 31 177.152 177.152 176.691 0.461 18801 4315 1 9 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.429 -1.095 18801 4316 1 9 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.684 -3.548 18801 4317 1 9 . 1 1 31 31 LYS H H 31 8.793 8.793 8.245 0.548 18801 4318 1 9 . 1 1 32 32 PHE N N 32 126.167 126.167 126.330 -0.163 18801 4319 1 9 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.191 -0.556 18801 4320 1 9 . 1 1 32 32 PHE C C 32 177.437 177.437 177.237 0.200 18801 4321 1 9 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.127 -2.045 18801 4322 1 9 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.545 -2.019 18801 4323 1 9 . 1 1 32 32 PHE H H 32 9.002 9.002 9.094 -0.092 18801 4324 1 9 . 1 1 33 33 GLY N N 33 103.648 103.648 106.058 -2.410 18801 4325 1 9 . 1 1 33 33 GLY C C 33 179.280 179.280 175.855 3.425 18801 4326 1 9 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.798 -2.639 18801 4327 1 9 . 1 1 33 33 GLY H H 33 9.168 9.168 8.708 0.460 18801 4328 1 9 . 1 1 34 34 LYS N N 34 120.972 120.972 121.285 -0.313 18801 4329 1 9 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.067 -0.097 18801 4330 1 9 . 1 1 34 34 LYS C C 34 176.326 176.326 177.744 -1.418 18801 4331 1 9 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.478 -2.236 18801 4332 1 9 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.254 -1.919 18801 4333 1 9 . 1 1 34 34 LYS H H 34 6.642 6.642 7.500 -0.859 18801 4334 1 9 . 1 1 35 35 LEU N N 35 118.154 118.154 115.501 2.653 18801 4335 1 9 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.727 -0.824 18801 4336 1 9 . 1 1 35 35 LEU C C 35 175.872 175.872 177.769 -1.897 18801 4337 1 9 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.426 -0.934 18801 4338 1 9 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.436 -3.666 18801 4339 1 9 . 1 1 35 35 LEU H H 35 7.425 7.425 7.458 -0.033 18801 4340 1 9 . 1 1 36 36 ALA N N 36 120.438 120.438 122.771 -2.333 18801 4341 1 9 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.043 -0.353 18801 4342 1 9 . 1 1 36 36 ALA C C 36 176.117 176.117 178.284 -2.167 18801 4343 1 9 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.778 -2.204 18801 4344 1 9 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.313 -3.582 18801 4345 1 9 . 1 1 36 36 ALA H H 36 8.229 8.229 7.906 0.323 18801 4346 1 9 . 1 1 37 37 LYS N N 37 116.463 116.463 114.381 2.082 18801 4347 1 9 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.572 -0.525 18801 4348 1 9 . 1 1 37 37 LYS C C 37 175.232 175.232 176.749 -1.517 18801 4349 1 9 . 1 1 37 37 LYS CA C 37 56.418 56.418 56.792 -0.374 18801 4350 1 9 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.370 -2.413 18801 4351 1 9 . 1 1 37 37 LYS H H 37 7.568 7.568 7.750 -0.182 18801 4352 1 9 . 1 1 38 38 GLU N N 38 115.319 115.319 117.416 -2.097 18801 4353 1 9 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.377 -0.343 18801 4354 1 9 . 1 1 38 38 GLU C C 38 176.423 176.423 177.417 -0.994 18801 4355 1 9 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.423 -0.654 18801 4356 1 9 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.600 -2.311 18801 4357 1 9 . 1 1 38 38 GLU H H 38 7.766 7.766 7.515 0.251 18801 4358 1 9 . 1 1 39 39 LEU N N 39 114.689 114.689 120.629 -5.940 18801 4359 1 9 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.202 0.293 18801 4360 1 9 . 1 1 39 39 LEU C C 39 177.452 177.452 177.852 -0.400 18801 4361 1 9 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.365 -4.320 18801 4362 1 9 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.430 -0.610 18801 4363 1 9 . 1 1 39 39 LEU H H 39 8.214 8.214 8.123 0.091 18801 4364 1 9 . 1 1 40 40 SER N N 40 110.112 110.112 113.865 -3.753 18801 4365 1 9 . 1 1 40 40 SER HA H 40 4.617 4.617 4.394 0.223 18801 4366 1 9 . 1 1 40 40 SER C C 40 177.179 177.179 175.668 1.511 18801 4367 1 9 . 1 1 40 40 SER CA C 40 54.102 54.102 59.391 -5.289 18801 4368 1 9 . 1 1 40 40 SER CB C 40 62.559 62.559 62.491 0.068 18801 4369 1 9 . 1 1 40 40 SER H H 40 7.848 7.848 7.512 0.336 18801 4370 1 9 . 1 1 41 41 ILE N N 41 119.941 119.941 120.283 -0.342 18801 4371 1 9 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.047 0.323 18801 4372 1 9 . 1 1 41 41 ILE C C 41 178.010 178.010 175.987 2.023 18801 4373 1 9 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.933 -3.055 18801 4374 1 9 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.184 -3.838 18801 4375 1 9 . 1 1 41 41 ILE H H 41 9.126 9.126 8.261 0.865 18801 4376 1 9 . 1 1 42 42 ASP N N 42 120.547 120.547 121.396 -0.849 18801 4377 1 9 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.467 0.366 18801 4378 1 9 . 1 1 42 42 ASP C C 42 179.215 179.215 177.104 2.111 18801 4379 1 9 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.248 -4.930 18801 4380 1 9 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.149 -3.933 18801 4381 1 9 . 1 1 42 42 ASP H H 42 7.476 7.476 7.792 -0.316 18801 4382 1 9 . 1 1 43 43 SER N N 43 122.805 122.805 122.428 0.377 18801 4383 1 9 . 1 1 43 43 SER HA H 43 4.115 4.115 4.186 -0.071 18801 4384 1 9 . 1 1 43 43 SER C C 43 178.349 178.349 175.991 2.358 18801 4385 1 9 . 1 1 43 43 SER CA C 43 58.425 58.425 60.804 -2.379 18801 4386 1 9 . 1 1 43 43 SER CB C 43 59.904 59.904 63.334 -3.430 18801 4387 1 9 . 1 1 43 43 SER H H 43 8.215 8.215 8.661 -0.446 18801 4388 1 9 . 1 1 44 44 GLY N N 44 107.974 107.974 107.017 0.957 18801 4389 1 9 . 1 1 44 44 GLY C C 44 179.677 179.677 173.491 6.186 18801 4390 1 9 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.997 -1.186 18801 4391 1 9 . 1 1 44 44 GLY H H 44 8.384 8.384 8.275 0.109 18801 4392 1 9 . 1 1 45 45 SER N N 45 110.539 110.539 117.042 -6.503 18801 4393 1 9 . 1 1 45 45 SER HA H 45 4.493 4.493 4.476 0.017 18801 4394 1 9 . 1 1 45 45 SER C C 45 176.530 176.530 174.534 1.996 18801 4395 1 9 . 1 1 45 45 SER CA C 45 56.718 56.718 59.405 -2.687 18801 4396 1 9 . 1 1 45 45 SER CB C 45 62.291 62.291 64.411 -2.120 18801 4397 1 9 . 1 1 45 45 SER H H 45 7.177 7.177 7.742 -0.565 18801 4398 1 9 . 1 1 46 46 ALA N N 46 132.579 132.579 125.146 7.433 18801 4399 1 9 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.556 -0.818 18801 4400 1 9 . 1 1 46 46 ALA C C 46 175.404 175.404 178.635 -3.231 18801 4401 1 9 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.639 -0.452 18801 4402 1 9 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.796 -2.859 18801 4403 1 9 . 1 1 46 46 ALA H H 46 8.726 8.726 7.933 0.793 18801 4404 1 9 . 1 1 47 47 LYS N N 47 111.990 111.990 116.055 -4.065 18801 4405 1 9 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.268 -0.161 18801 4406 1 9 . 1 1 47 47 LYS C C 47 177.450 177.450 176.982 0.468 18801 4407 1 9 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.617 -2.508 18801 4408 1 9 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.527 -3.678 18801 4409 1 9 . 1 1 47 47 LYS H H 47 7.668 7.668 8.182 -0.514 18801 4410 1 9 . 1 1 48 48 LYS N N 48 118.900 118.900 117.576 1.324 18801 4411 1 9 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.543 0.060 18801 4412 1 9 . 1 1 48 48 LYS C C 48 177.786 177.786 175.924 1.862 18801 4413 1 9 . 1 1 48 48 LYS CA C 48 51.514 51.514 55.185 -3.671 18801 4414 1 9 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.912 -3.454 18801 4415 1 9 . 1 1 48 48 LYS H H 48 7.382 7.382 7.633 -0.251 18801 4416 1 9 . 1 1 49 49 ASN N N 49 115.995 115.995 117.751 -1.756 18801 4417 1 9 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.315 -0.057 18801 4418 1 9 . 1 1 49 49 ASN C C 49 180.354 180.354 175.945 4.409 18801 4419 1 9 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.469 -2.055 18801 4420 1 9 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.461 -4.139 18801 4421 1 9 . 1 1 49 49 ASN H H 49 8.021 8.021 8.398 -0.377 18801 4422 1 9 . 1 1 50 50 GLY N N 50 104.621 104.621 103.217 1.404 18801 4423 1 9 . 1 1 50 50 GLY C C 50 180.665 180.665 173.502 7.163 18801 4424 1 9 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.812 -3.279 18801 4425 1 9 . 1 1 50 50 GLY H H 50 8.512 8.512 8.802 -0.290 18801 4426 1 9 . 1 1 51 51 ASN N N 51 118.054 118.054 119.473 -1.419 18801 4427 1 9 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.612 0.187 18801 4428 1 9 . 1 1 51 51 ASN C C 51 179.848 179.848 175.907 3.941 18801 4429 1 9 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.912 0.181 18801 4430 1 9 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.402 -2.605 18801 4431 1 9 . 1 1 51 51 ASN H H 51 7.146 7.146 8.196 -1.050 18801 4432 1 9 . 1 1 52 52 LEU N N 52 126.673 126.673 120.300 6.373 18801 4433 1 9 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.296 0.024 18801 4434 1 9 . 1 1 52 52 LEU C C 52 176.682 176.682 177.194 -0.512 18801 4435 1 9 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.257 -3.816 18801 4436 1 9 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.815 -1.353 18801 4437 1 9 . 1 1 52 52 LEU H H 52 8.607 8.607 7.756 0.851 18801 4438 1 9 . 1 1 53 53 GLY N N 53 108.525 108.525 106.934 1.591 18801 4439 1 9 . 1 1 53 53 GLY C C 53 182.708 182.708 173.801 8.907 18801 4440 1 9 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.295 -3.693 18801 4441 1 9 . 1 1 53 53 GLY H H 53 8.121 8.121 7.432 0.689 18801 4442 1 9 . 1 1 54 54 TYR N N 54 114.992 114.992 122.677 -7.685 18801 4443 1 9 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.230 -0.048 18801 4444 1 9 . 1 1 54 54 TYR C C 54 176.195 176.195 176.856 -0.661 18801 4445 1 9 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.182 -2.156 18801 4446 1 9 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.558 -2.163 18801 4447 1 9 . 1 1 54 54 TYR H H 54 8.187 8.187 8.318 -0.131 18801 4448 1 9 . 1 1 55 55 PHE N N 55 118.041 118.041 121.680 -3.639 18801 4449 1 9 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.115 -0.012 18801 4450 1 9 . 1 1 55 55 PHE C C 55 181.875 181.875 173.094 8.781 18801 4451 1 9 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.696 -2.771 18801 4452 1 9 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.703 -3.536 18801 4453 1 9 . 1 1 55 55 PHE H H 55 9.093 9.093 8.637 0.456 18801 4454 1 9 . 1 1 56 56 THR N N 56 109.577 109.577 108.824 0.753 18801 4455 1 9 . 1 1 56 56 THR HA H 56 5.267 5.267 4.077 1.190 18801 4456 1 9 . 1 1 56 56 THR C C 56 178.403 178.403 173.325 5.078 18801 4457 1 9 . 1 1 56 56 THR CA C 56 56.522 56.522 59.755 -3.233 18801 4458 1 9 . 1 1 56 56 THR CB C 56 69.673 69.673 71.306 -1.633 18801 4459 1 9 . 1 1 56 56 THR H H 56 7.949 7.949 7.929 0.020 18801 4460 1 9 . 1 1 57 57 LYS N N 57 121.639 121.639 121.274 0.365 18801 4461 1 9 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.314 -0.319 18801 4462 1 9 . 1 1 57 57 LYS C C 57 176.706 176.706 176.854 -0.148 18801 4463 1 9 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.307 -1.612 18801 4464 1 9 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.744 -2.360 18801 4465 1 9 . 1 1 57 57 LYS H H 57 8.703 8.703 8.666 0.037 18801 4466 1 9 . 1 1 58 58 GLY N N 58 114.416 114.416 112.811 1.605 18801 4467 1 9 . 1 1 58 58 GLY C C 58 180.079 180.079 174.734 5.345 18801 4468 1 9 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.204 -2.845 18801 4469 1 9 . 1 1 58 58 GLY H H 58 10.495 10.495 8.803 1.692 18801 4470 1 9 . 1 1 59 59 MET N N 59 118.231 118.231 117.684 0.547 18801 4471 1 9 . 1 1 59 59 MET HA H 59 4.366 4.366 4.714 -0.348 18801 4472 1 9 . 1 1 59 59 MET C C 59 178.798 178.798 175.807 2.991 18801 4473 1 9 . 1 1 59 59 MET CA C 59 55.129 55.129 55.428 -0.299 18801 4474 1 9 . 1 1 59 59 MET CB C 59 32.196 32.196 33.509 -1.313 18801 4475 1 9 . 1 1 59 59 MET H H 59 7.681 7.681 8.285 -0.604 18801 4476 1 9 . 1 1 60 60 MET N N 60 118.667 118.667 117.736 0.931 18801 4477 1 9 . 1 1 60 60 MET HA H 60 4.629 4.629 4.825 -0.196 18801 4478 1 9 . 1 1 60 60 MET C C 60 178.834 178.834 174.963 3.871 18801 4479 1 9 . 1 1 60 60 MET CA C 60 49.108 49.108 54.026 -4.918 18801 4480 1 9 . 1 1 60 60 MET CB C 60 30.952 30.952 35.047 -4.095 18801 4481 1 9 . 1 1 60 60 MET H H 60 8.905 8.905 7.726 1.179 18801 4482 1 9 . 1 1 61 61 VAL N N 61 114.198 114.198 115.848 -1.650 18801 4483 1 9 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.476 -0.320 18801 4484 1 9 . 1 1 61 61 VAL C C 61 176.731 176.731 176.512 0.219 18801 4485 1 9 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.144 -0.779 18801 4486 1 9 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.700 -4.019 18801 4487 1 9 . 1 1 61 61 VAL H H 61 8.062 8.062 8.078 -0.016 18801 4488 1 9 . 1 1 62 62 LYS N N 62 124.862 124.862 123.197 1.665 18801 4489 1 9 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.164 -0.015 18801 4490 1 9 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.172 -1.925 18801 4491 1 9 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.841 -3.691 18801 4492 1 9 . 1 1 62 62 LYS H H 62 8.736 8.736 8.876 -0.140 18801 4493 1 9 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.397 0.001 18801 4494 1 9 . 1 1 63 63 PRO C C 63 174.841 174.841 175.368 -0.527 18801 4495 1 9 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.341 -0.413 18801 4496 1 9 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.480 -1.253 18801 4497 1 9 . 1 1 64 64 PHE N N 64 115.340 115.340 118.336 -2.996 18801 4498 1 9 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.415 -0.781 18801 4499 1 9 . 1 1 64 64 PHE C C 64 178.782 178.782 174.387 4.395 18801 4500 1 9 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.427 -1.734 18801 4501 1 9 . 1 1 64 64 PHE CB C 64 37.274 37.274 39.795 -2.521 18801 4502 1 9 . 1 1 64 64 PHE H H 64 6.870 6.870 7.977 -1.107 18801 4503 1 9 . 1 1 65 65 GLU N N 65 120.356 120.356 120.128 0.228 18801 4504 1 9 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.048 -0.096 18801 4505 1 9 . 1 1 65 65 GLU C C 65 177.209 177.209 178.072 -0.863 18801 4506 1 9 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.163 -1.379 18801 4507 1 9 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.093 -2.004 18801 4508 1 9 . 1 1 65 65 GLU H H 65 8.429 8.429 8.490 -0.061 18801 4509 1 9 . 1 1 66 66 ASP N N 66 117.560 117.560 119.947 -2.387 18801 4510 1 9 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.238 0.065 18801 4511 1 9 . 1 1 66 66 ASP C C 66 176.337 176.337 177.098 -0.761 18801 4512 1 9 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.918 -2.891 18801 4513 1 9 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.688 -3.167 18801 4514 1 9 . 1 1 66 66 ASP H H 66 8.925 8.925 7.753 1.172 18801 4515 1 9 . 1 1 67 67 ALA N N 67 117.959 117.959 118.418 -0.459 18801 4516 1 9 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.359 -0.234 18801 4517 1 9 . 1 1 67 67 ALA C C 67 174.155 174.155 176.657 -2.502 18801 4518 1 9 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.420 -0.313 18801 4519 1 9 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.590 -0.368 18801 4520 1 9 . 1 1 67 67 ALA H H 67 6.805 6.805 7.319 -0.514 18801 4521 1 9 . 1 1 68 68 ALA N N 68 120.884 120.884 121.468 -0.584 18801 4522 1 9 . 1 1 68 68 ALA HA H 68 3.673 3.673 3.977 -0.304 18801 4523 1 9 . 1 1 68 68 ALA C C 68 175.535 175.535 177.529 -1.994 18801 4524 1 9 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.897 -0.573 18801 4525 1 9 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.168 -4.213 18801 4526 1 9 . 1 1 68 68 ALA H H 68 8.836 8.836 6.910 1.926 18801 4527 1 9 . 1 1 69 69 PHE N N 69 110.173 110.173 112.310 -2.137 18801 4528 1 9 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.871 -0.869 18801 4529 1 9 . 1 1 69 69 PHE C C 69 178.751 178.751 175.644 3.107 18801 4530 1 9 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.559 2.921 18801 4531 1 9 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.010 -4.182 18801 4532 1 9 . 1 1 69 69 PHE H H 69 8.087 8.087 6.751 1.336 18801 4533 1 9 . 1 1 70 70 LYS N N 70 116.963 116.963 120.395 -3.432 18801 4534 1 9 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.276 0.102 18801 4535 1 9 . 1 1 70 70 LYS C C 70 177.534 177.534 176.503 1.031 18801 4536 1 9 . 1 1 70 70 LYS CA C 70 53.602 53.602 58.127 -4.525 18801 4537 1 9 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.160 -1.055 18801 4538 1 9 . 1 1 70 70 LYS H H 70 6.997 6.997 8.106 -1.109 18801 4539 1 9 . 1 1 71 71 LEU N N 71 118.952 118.952 116.736 2.216 18801 4540 1 9 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.660 -0.466 18801 4541 1 9 . 1 1 71 71 LEU C C 71 176.388 176.388 176.631 -0.243 18801 4542 1 9 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.573 -1.603 18801 4543 1 9 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.349 -3.407 18801 4544 1 9 . 1 1 71 71 LEU H H 71 6.933 6.933 7.374 -0.441 18801 4545 1 9 . 1 1 72 72 GLN N N 72 121.738 121.738 115.848 5.890 18801 4546 1 9 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.534 -0.214 18801 4547 1 9 . 1 1 72 72 GLN C C 72 177.973 177.973 174.496 3.477 18801 4548 1 9 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.120 -2.897 18801 4549 1 9 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.408 -4.802 18801 4550 1 9 . 1 1 72 72 GLN H H 72 9.040 9.040 8.154 0.886 18801 4551 1 9 . 1 1 73 73 VAL N N 73 122.076 122.076 121.146 0.930 18801 4552 1 9 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.717 -0.886 18801 4553 1 9 . 1 1 73 73 VAL C C 73 177.702 177.702 176.904 0.798 18801 4554 1 9 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.972 0.426 18801 4555 1 9 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.380 -2.922 18801 4556 1 9 . 1 1 73 73 VAL H H 73 8.759 8.759 8.450 0.309 18801 4557 1 9 . 1 1 74 74 GLY N N 74 117.298 117.298 115.737 1.561 18801 4558 1 9 . 1 1 74 74 GLY C C 74 181.597 181.597 173.303 8.294 18801 4559 1 9 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.581 -2.723 18801 4560 1 9 . 1 1 74 74 GLY H H 74 8.626 8.626 8.211 0.415 18801 4561 1 9 . 1 1 75 75 GLU N N 75 122.135 122.135 119.113 3.022 18801 4562 1 9 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.636 -0.500 18801 4563 1 9 . 1 1 75 75 GLU C C 75 180.891 180.891 174.657 6.234 18801 4564 1 9 . 1 1 75 75 GLU CA C 75 53.363 53.363 55.080 -1.717 18801 4565 1 9 . 1 1 75 75 GLU CB C 75 29.409 29.409 33.877 -4.468 18801 4566 1 9 . 1 1 75 75 GLU H H 75 7.877 7.877 7.830 0.047 18801 4567 1 9 . 1 1 76 76 VAL N N 76 121.950 121.950 123.069 -1.119 18801 4568 1 9 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.533 0.407 18801 4569 1 9 . 1 1 76 76 VAL C C 76 177.920 177.920 176.206 1.714 18801 4570 1 9 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.193 -4.262 18801 4571 1 9 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.994 -1.953 18801 4572 1 9 . 1 1 76 76 VAL H H 76 7.877 7.877 8.468 -0.591 18801 4573 1 9 . 1 1 77 77 SER N N 77 125.434 125.434 122.464 2.970 18801 4574 1 9 . 1 1 77 77 SER HA H 77 4.275 4.275 4.554 -0.279 18801 4575 1 9 . 1 1 77 77 SER C C 77 181.544 181.544 174.519 7.025 18801 4576 1 9 . 1 1 77 77 SER CA C 77 56.028 56.028 57.556 -1.528 18801 4577 1 9 . 1 1 77 77 SER CB C 77 62.729 62.729 65.465 -2.736 18801 4578 1 9 . 1 1 77 77 SER H H 77 9.611 9.611 8.951 0.660 18801 4579 1 9 . 1 1 78 78 GLU N N 78 114.680 114.680 116.581 -1.901 18801 4580 1 9 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.761 -0.150 18801 4581 1 9 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.181 0.565 18801 4582 1 9 . 1 1 78 78 GLU CB C 78 25.504 25.504 30.140 -4.636 18801 4583 1 9 . 1 1 78 78 GLU H H 78 7.589 7.589 8.566 -0.977 18801 4584 1 9 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.513 0.217 18801 4585 1 9 . 1 1 79 79 PRO C C 79 177.642 177.642 175.706 1.936 18801 4586 1 9 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.812 -2.334 18801 4587 1 9 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.718 -2.418 18801 4588 1 9 . 1 1 80 80 ILE N N 80 127.418 127.418 124.918 2.500 18801 4589 1 9 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.101 0.399 18801 4590 1 9 . 1 1 80 80 ILE C C 80 179.315 179.315 176.057 3.258 18801 4591 1 9 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.740 -5.032 18801 4592 1 9 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.220 -0.102 18801 4593 1 9 . 1 1 80 80 ILE H H 80 9.614 9.614 8.067 1.547 18801 4594 1 9 . 1 1 81 81 LYS N N 81 129.156 129.156 130.029 -0.873 18801 4595 1 9 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.234 0.042 18801 4596 1 9 . 1 1 81 81 LYS C C 81 179.186 179.186 175.624 3.562 18801 4597 1 9 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.063 -4.183 18801 4598 1 9 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.878 -2.073 18801 4599 1 9 . 1 1 81 81 LYS H H 81 8.637 8.637 8.796 -0.159 18801 4600 1 9 . 1 1 82 82 SER N N 82 125.346 125.346 121.265 4.081 18801 4601 1 9 . 1 1 82 82 SER HA H 82 4.836 4.836 4.725 0.111 18801 4602 1 9 . 1 1 82 82 SER C C 82 179.369 179.369 173.861 5.508 18801 4603 1 9 . 1 1 82 82 SER CA C 82 53.893 53.893 56.259 -2.366 18801 4604 1 9 . 1 1 82 82 SER CB C 82 64.579 64.579 65.052 -0.473 18801 4605 1 9 . 1 1 82 82 SER H H 82 9.532 9.532 8.039 1.493 18801 4606 1 9 . 1 1 83 83 GLU N N 83 118.760 118.760 120.088 -1.328 18801 4607 1 9 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.000 0.048 18801 4608 1 9 . 1 1 83 83 GLU C C 83 177.803 177.803 176.839 0.964 18801 4609 1 9 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.876 -3.518 18801 4610 1 9 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.161 -2.816 18801 4611 1 9 . 1 1 83 83 GLU H H 83 9.535 9.535 8.627 0.908 18801 4612 1 9 . 1 1 84 84 PHE N N 84 118.360 118.360 117.818 0.542 18801 4613 1 9 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.532 -0.004 18801 4614 1 9 . 1 1 84 84 PHE C C 84 179.367 179.367 175.814 3.553 18801 4615 1 9 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.607 -2.489 18801 4616 1 9 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.639 -2.603 18801 4617 1 9 . 1 1 84 84 PHE H H 84 8.803 8.803 7.989 0.814 18801 4618 1 9 . 1 1 85 85 GLY N N 85 107.365 107.365 105.613 1.752 18801 4619 1 9 . 1 1 85 85 GLY C C 85 184.805 184.805 173.179 11.626 18801 4620 1 9 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.280 -2.602 18801 4621 1 9 . 1 1 85 85 GLY H H 85 7.323 7.323 7.439 -0.116 18801 4622 1 9 . 1 1 86 86 TYR N N 86 119.303 119.303 122.918 -3.615 18801 4623 1 9 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.688 0.307 18801 4624 1 9 . 1 1 86 86 TYR C C 86 180.178 180.178 175.750 4.428 18801 4625 1 9 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.303 -3.927 18801 4626 1 9 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.363 0.080 18801 4627 1 9 . 1 1 86 86 TYR H H 86 8.990 8.990 7.928 1.062 18801 4628 1 9 . 1 1 87 87 HIS N N 87 120.588 120.588 123.961 -3.373 18801 4629 1 9 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.178 0.353 18801 4630 1 9 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.867 -4.394 18801 4631 1 9 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.461 -3.282 18801 4632 1 9 . 1 1 87 87 HIS H H 87 9.791 9.791 8.686 1.105 18801 4633 1 9 . 1 1 88 88 ILE N N 88 122.986 122.986 127.716 -4.730 18801 4634 1 9 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.494 -0.449 18801 4635 1 9 . 1 1 88 88 ILE C C 88 179.375 179.375 175.715 3.660 18801 4636 1 9 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.205 0.019 18801 4637 1 9 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.596 0.757 18801 4638 1 9 . 1 1 88 88 ILE H H 88 9.161 9.161 8.252 0.909 18801 4639 1 9 . 1 1 89 89 ILE N N 89 128.220 128.220 129.034 -0.814 18801 4640 1 9 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.540 0.241 18801 4641 1 9 . 1 1 89 89 ILE C C 89 181.174 181.174 174.964 6.210 18801 4642 1 9 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.022 -3.294 18801 4643 1 9 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.700 -0.104 18801 4644 1 9 . 1 1 89 89 ILE H H 89 8.568 8.568 8.300 0.268 18801 4645 1 9 . 1 1 90 90 LYS N N 90 125.284 125.284 126.593 -1.309 18801 4646 1 9 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.097 0.067 18801 4647 1 9 . 1 1 90 90 LYS C C 90 179.565 179.565 175.557 4.008 18801 4648 1 9 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.329 -2.958 18801 4649 1 9 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.916 -3.261 18801 4650 1 9 . 1 1 90 90 LYS H H 90 8.580 8.580 7.786 0.794 18801 4651 1 9 . 1 1 91 91 ARG N N 91 126.331 126.331 126.845 -0.514 18801 4652 1 9 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.399 0.618 18801 4653 1 9 . 1 1 91 91 ARG C C 91 179.376 179.376 175.351 4.025 18801 4654 1 9 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.575 -4.662 18801 4655 1 9 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.949 -3.387 18801 4656 1 9 . 1 1 91 91 ARG H H 91 7.641 7.641 8.141 -0.500 18801 4657 1 9 . 1 1 92 92 PHE N N 92 127.260 127.260 122.767 4.493 18801 4658 1 9 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.569 -0.063 18801 4659 1 9 . 1 1 92 92 PHE C C 92 179.492 179.492 176.419 3.073 18801 4660 1 9 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.310 -2.072 18801 4661 1 9 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.967 -1.361 18801 4662 1 9 . 1 1 92 92 PHE H H 92 9.044 9.044 8.014 1.030 18801 4663 1 10 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.657 -0.188 18801 4664 1 10 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.152 -2.903 18801 4665 1 10 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.966 -2.430 18801 4666 1 10 . 1 1 3 3 SER N N 3 116.356 116.356 117.935 -1.579 18801 4667 1 10 . 1 1 3 3 SER HA H 3 4.457 4.457 4.581 -0.124 18801 4668 1 10 . 1 1 3 3 SER CA C 3 55.255 55.255 57.530 -2.275 18801 4669 1 10 . 1 1 3 3 SER CB C 3 61.066 61.066 65.515 -4.449 18801 4670 1 10 . 1 1 3 3 SER H H 3 8.502 8.502 8.180 0.322 18801 4671 1 10 . 1 1 4 4 ASN N N 4 120.863 120.863 121.649 -0.786 18801 4672 1 10 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.930 -0.234 18801 4673 1 10 . 1 1 4 4 ASN C C 4 180.499 180.499 173.609 6.890 18801 4674 1 10 . 1 1 4 4 ASN CA C 4 50.736 50.736 52.831 -2.095 18801 4675 1 10 . 1 1 4 4 ASN CB C 4 35.801 35.801 38.907 -3.106 18801 4676 1 10 . 1 1 4 4 ASN H H 4 8.463 8.463 8.579 -0.116 18801 4677 1 10 . 1 1 5 5 LYS N N 5 119.444 119.444 119.051 0.393 18801 4678 1 10 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.116 -0.020 18801 4679 1 10 . 1 1 5 5 LYS C C 5 179.306 179.306 174.761 4.545 18801 4680 1 10 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.980 -3.031 18801 4681 1 10 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.103 -2.462 18801 4682 1 10 . 1 1 5 5 LYS H H 5 7.965 7.965 8.292 -0.327 18801 4683 1 10 . 1 1 6 6 ILE N N 6 115.941 115.941 113.728 2.213 18801 4684 1 10 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.817 0.744 18801 4685 1 10 . 1 1 6 6 ILE C C 6 183.130 183.130 174.266 8.864 18801 4686 1 10 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.249 -2.531 18801 4687 1 10 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.477 -2.772 18801 4688 1 10 . 1 1 6 6 ILE H H 6 8.133 8.133 8.225 -0.092 18801 4689 1 10 . 1 1 7 7 LYS N N 7 122.265 122.265 123.169 -0.904 18801 4690 1 10 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.712 0.043 18801 4691 1 10 . 1 1 7 7 LYS C C 7 177.364 177.364 176.881 0.483 18801 4692 1 10 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.322 -6.094 18801 4693 1 10 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.319 -2.133 18801 4694 1 10 . 1 1 7 7 LYS H H 7 8.155 8.155 8.293 -0.138 18801 4695 1 10 . 1 1 8 8 CYS N N 8 118.452 118.452 119.782 -1.330 18801 4696 1 10 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.175 0.580 18801 4697 1 10 . 1 1 8 8 CYS C C 8 181.803 181.803 172.510 9.293 18801 4698 1 10 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.675 -4.075 18801 4699 1 10 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.671 -0.086 18801 4700 1 10 . 1 1 8 8 CYS H H 8 7.243 7.243 8.487 -1.244 18801 4701 1 10 . 1 1 9 9 SER N N 9 115.559 115.559 115.091 0.468 18801 4702 1 10 . 1 1 9 9 SER HA H 9 5.777 5.777 5.346 0.431 18801 4703 1 10 . 1 1 9 9 SER C C 9 181.609 181.609 173.470 8.139 18801 4704 1 10 . 1 1 9 9 SER CA C 9 53.256 53.256 56.668 -3.412 18801 4705 1 10 . 1 1 9 9 SER CB C 9 64.431 64.431 65.692 -1.262 18801 4706 1 10 . 1 1 9 9 SER H H 9 9.148 9.148 8.494 0.654 18801 4707 1 10 . 1 1 10 10 HIS N N 10 119.227 119.227 113.294 5.933 18801 4708 1 10 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.256 1.235 18801 4709 1 10 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.963 -4.719 18801 4710 1 10 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.138 2.510 18801 4711 1 10 . 1 1 10 10 HIS H H 10 9.626 9.626 8.913 0.713 18801 4712 1 10 . 1 1 11 11 ILE N N 11 121.859 121.859 121.409 0.450 18801 4713 1 10 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.255 -0.847 18801 4714 1 10 . 1 1 11 11 ILE C C 11 182.235 182.235 174.071 8.164 18801 4715 1 10 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.155 -1.547 18801 4716 1 10 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.570 -3.013 18801 4717 1 10 . 1 1 11 11 ILE H H 11 8.978 8.978 8.888 0.090 18801 4718 1 10 . 1 1 12 12 LEU N N 12 128.789 128.789 128.457 0.332 18801 4719 1 10 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.410 -0.362 18801 4720 1 10 . 1 1 12 12 LEU C C 12 180.111 180.111 176.509 3.602 18801 4721 1 10 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.009 -3.480 18801 4722 1 10 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.382 -1.108 18801 4723 1 10 . 1 1 12 12 LEU H H 12 7.659 7.659 8.038 -0.379 18801 4724 1 10 . 1 1 13 13 VAL N N 13 117.652 117.652 117.185 0.467 18801 4725 1 10 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.792 0.131 18801 4726 1 10 . 1 1 13 13 VAL C C 13 178.956 178.956 175.018 3.938 18801 4727 1 10 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.693 -3.337 18801 4728 1 10 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.883 -2.638 18801 4729 1 10 . 1 1 13 13 VAL H H 13 8.916 8.916 7.868 1.048 18801 4730 1 10 . 1 1 14 14 SER N N 14 115.236 115.236 114.429 0.807 18801 4731 1 10 . 1 1 14 14 SER HA H 14 4.591 4.591 4.698 -0.107 18801 4732 1 10 . 1 1 14 14 SER C C 14 179.440 179.440 174.036 5.404 18801 4733 1 10 . 1 1 14 14 SER CA C 14 58.302 58.302 58.456 -0.154 18801 4734 1 10 . 1 1 14 14 SER CB C 14 61.585 61.585 63.883 -2.298 18801 4735 1 10 . 1 1 14 14 SER H H 14 8.799 8.799 8.489 0.310 18801 4736 1 10 . 1 1 15 15 LYS N N 15 117.100 117.100 119.215 -2.115 18801 4737 1 10 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.971 -0.158 18801 4738 1 10 . 1 1 15 15 LYS C C 15 178.183 178.183 175.530 2.653 18801 4739 1 10 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.337 -3.539 18801 4740 1 10 . 1 1 15 15 LYS CB C 15 32.956 32.956 33.909 -0.953 18801 4741 1 10 . 1 1 15 15 LYS H H 15 7.749 7.749 7.506 0.243 18801 4742 1 10 . 1 1 16 16 GLN N N 16 126.339 126.339 122.680 3.659 18801 4743 1 10 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.474 -0.929 18801 4744 1 10 . 1 1 16 16 GLN C C 16 176.604 176.604 177.710 -1.106 18801 4745 1 10 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.068 -2.629 18801 4746 1 10 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.326 -3.562 18801 4747 1 10 . 1 1 16 16 GLN H H 16 8.810 8.810 9.181 -0.371 18801 4748 1 10 . 1 1 17 17 SER N N 17 112.691 112.691 113.481 -0.790 18801 4749 1 10 . 1 1 17 17 SER HA H 17 3.841 3.841 4.202 -0.361 18801 4750 1 10 . 1 1 17 17 SER C C 17 176.880 176.880 175.316 1.564 18801 4751 1 10 . 1 1 17 17 SER CA C 17 58.169 58.169 60.607 -2.438 18801 4752 1 10 . 1 1 17 17 SER CB C 17 58.144 58.144 62.697 -4.553 18801 4753 1 10 . 1 1 17 17 SER H H 17 8.637 8.637 8.543 0.094 18801 4754 1 10 . 1 1 18 18 GLU N N 18 122.640 122.640 120.612 2.028 18801 4755 1 10 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.225 -0.181 18801 4756 1 10 . 1 1 18 18 GLU C C 18 176.035 176.035 177.748 -1.713 18801 4757 1 10 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.124 -3.073 18801 4758 1 10 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.382 -3.479 18801 4759 1 10 . 1 1 18 18 GLU H H 18 6.560 6.560 7.603 -1.043 18801 4760 1 10 . 1 1 19 19 ALA N N 19 122.963 122.963 122.654 0.309 18801 4761 1 10 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.103 -0.298 18801 4762 1 10 . 1 1 19 19 ALA C C 19 175.728 175.728 179.682 -3.954 18801 4763 1 10 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.974 -3.024 18801 4764 1 10 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.737 -4.247 18801 4765 1 10 . 1 1 19 19 ALA H H 19 7.435 7.435 7.597 -0.162 18801 4766 1 10 . 1 1 20 20 LEU N N 20 117.683 117.683 117.136 0.547 18801 4767 1 10 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.259 -0.358 18801 4768 1 10 . 1 1 20 20 LEU C C 20 174.983 174.983 177.413 -2.430 18801 4769 1 10 . 1 1 20 20 LEU CA C 20 55.009 55.009 55.247 -0.238 18801 4770 1 10 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.971 -3.130 18801 4771 1 10 . 1 1 20 20 LEU H H 20 8.204 8.204 8.215 -0.011 18801 4772 1 10 . 1 1 21 21 ALA N N 21 122.191 122.191 121.826 0.365 18801 4773 1 10 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.129 0.015 18801 4774 1 10 . 1 1 21 21 ALA C C 21 173.510 173.510 178.781 -5.271 18801 4775 1 10 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.603 -2.517 18801 4776 1 10 . 1 1 21 21 ALA CB C 21 14.862 14.862 19.160 -4.298 18801 4777 1 10 . 1 1 21 21 ALA H H 21 7.432 7.432 7.578 -0.146 18801 4778 1 10 . 1 1 22 22 ILE N N 22 120.079 120.079 119.397 0.682 18801 4779 1 10 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.649 -0.246 18801 4780 1 10 . 1 1 22 22 ILE C C 22 177.128 177.128 177.516 -0.388 18801 4781 1 10 . 1 1 22 22 ILE CA C 22 62.278 62.278 64.991 -2.713 18801 4782 1 10 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.903 -3.596 18801 4783 1 10 . 1 1 22 22 ILE H H 22 7.649 7.649 7.508 0.141 18801 4784 1 10 . 1 1 23 23 MET N N 23 118.682 118.682 115.045 3.637 18801 4785 1 10 . 1 1 23 23 MET HA H 23 4.260 4.260 4.421 -0.161 18801 4786 1 10 . 1 1 23 23 MET C C 23 175.086 175.086 176.734 -1.648 18801 4787 1 10 . 1 1 23 23 MET CA C 23 54.737 54.737 57.584 -2.847 18801 4788 1 10 . 1 1 23 23 MET CB C 23 27.240 27.240 32.025 -4.785 18801 4789 1 10 . 1 1 23 23 MET H H 23 8.008 8.008 8.045 -0.037 18801 4790 1 10 . 1 1 24 24 GLU N N 24 118.261 118.261 120.419 -2.158 18801 4791 1 10 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.276 -0.271 18801 4792 1 10 . 1 1 24 24 GLU C C 24 175.157 175.157 179.184 -4.027 18801 4793 1 10 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.032 -1.569 18801 4794 1 10 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.951 -3.700 18801 4795 1 10 . 1 1 24 24 GLU H H 24 7.527 7.527 7.810 -0.283 18801 4796 1 10 . 1 1 25 25 LYS N N 25 121.138 121.138 120.085 1.053 18801 4797 1 10 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.079 -0.070 18801 4798 1 10 . 1 1 25 25 LYS C C 25 174.603 174.603 178.525 -3.922 18801 4799 1 10 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.867 -2.006 18801 4800 1 10 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.503 -2.694 18801 4801 1 10 . 1 1 25 25 LYS H H 25 7.645 7.645 8.488 -0.843 18801 4802 1 10 . 1 1 26 26 LEU N N 26 121.410 121.410 116.988 4.422 18801 4803 1 10 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.568 -0.387 18801 4804 1 10 . 1 1 26 26 LEU C C 26 172.921 172.921 177.443 -4.522 18801 4805 1 10 . 1 1 26 26 LEU CA C 26 54.907 54.907 53.917 0.990 18801 4806 1 10 . 1 1 26 26 LEU CB C 26 38.505 38.505 40.926 -2.421 18801 4807 1 10 . 1 1 26 26 LEU H H 26 8.617 8.617 7.476 1.141 18801 4808 1 10 . 1 1 27 27 LYS N N 27 121.975 121.975 121.571 0.404 18801 4809 1 10 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.017 0.006 18801 4810 1 10 . 1 1 27 27 LYS C C 27 176.493 176.493 177.319 -0.826 18801 4811 1 10 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.907 -2.295 18801 4812 1 10 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.291 -3.033 18801 4813 1 10 . 1 1 27 27 LYS H H 27 8.239 8.239 8.008 0.231 18801 4814 1 10 . 1 1 28 28 SER N N 28 113.123 113.123 112.199 0.924 18801 4815 1 10 . 1 1 28 28 SER HA H 28 4.472 4.472 4.486 -0.014 18801 4816 1 10 . 1 1 28 28 SER C C 28 180.378 180.378 174.000 6.378 18801 4817 1 10 . 1 1 28 28 SER CA C 28 56.232 56.232 58.344 -2.112 18801 4818 1 10 . 1 1 28 28 SER CB C 28 60.798 60.798 64.655 -3.857 18801 4819 1 10 . 1 1 28 28 SER H H 28 7.620 7.620 8.102 -0.482 18801 4820 1 10 . 1 1 29 29 GLY N N 29 107.497 107.497 109.493 -1.996 18801 4821 1 10 . 1 1 29 29 GLY C C 29 179.552 179.552 174.973 4.579 18801 4822 1 10 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.870 -2.822 18801 4823 1 10 . 1 1 29 29 GLY H H 29 7.667 7.667 8.007 -0.340 18801 4824 1 10 . 1 1 30 30 GLU N N 30 121.320 121.320 119.515 1.805 18801 4825 1 10 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.197 0.026 18801 4826 1 10 . 1 1 30 30 GLU C C 30 178.900 178.900 177.089 1.811 18801 4827 1 10 . 1 1 30 30 GLU CA C 30 54.202 54.202 57.723 -3.521 18801 4828 1 10 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.180 -3.099 18801 4829 1 10 . 1 1 30 30 GLU H H 30 7.690 7.690 8.660 -0.970 18801 4830 1 10 . 1 1 31 31 LYS N N 31 122.239 122.239 116.808 5.431 18801 4831 1 10 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.441 -0.210 18801 4832 1 10 . 1 1 31 31 LYS C C 31 177.152 177.152 175.971 1.181 18801 4833 1 10 . 1 1 31 31 LYS CA C 31 53.334 53.334 55.865 -2.531 18801 4834 1 10 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.197 -3.061 18801 4835 1 10 . 1 1 31 31 LYS H H 31 8.793 8.793 7.638 1.155 18801 4836 1 10 . 1 1 32 32 PHE N N 32 126.167 126.167 124.377 1.790 18801 4837 1 10 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.253 -0.618 18801 4838 1 10 . 1 1 32 32 PHE C C 32 177.437 177.437 176.458 0.979 18801 4839 1 10 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.305 -1.223 18801 4840 1 10 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.664 -2.138 18801 4841 1 10 . 1 1 32 32 PHE H H 32 9.002 9.002 8.794 0.208 18801 4842 1 10 . 1 1 33 33 GLY N N 33 103.648 103.648 106.017 -2.369 18801 4843 1 10 . 1 1 33 33 GLY C C 33 179.280 179.280 175.774 3.506 18801 4844 1 10 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.654 -2.495 18801 4845 1 10 . 1 1 33 33 GLY H H 33 9.168 9.168 8.649 0.519 18801 4846 1 10 . 1 1 34 34 LYS N N 34 120.972 120.972 121.041 -0.069 18801 4847 1 10 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.140 -0.170 18801 4848 1 10 . 1 1 34 34 LYS C C 34 176.326 176.326 177.486 -1.160 18801 4849 1 10 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.236 -1.994 18801 4850 1 10 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.404 -2.069 18801 4851 1 10 . 1 1 34 34 LYS H H 34 6.642 6.642 7.801 -1.159 18801 4852 1 10 . 1 1 35 35 LEU N N 35 118.154 118.154 116.686 1.468 18801 4853 1 10 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.460 -0.557 18801 4854 1 10 . 1 1 35 35 LEU C C 35 175.872 175.872 177.779 -1.907 18801 4855 1 10 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.732 -1.240 18801 4856 1 10 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.691 -3.921 18801 4857 1 10 . 1 1 35 35 LEU H H 35 7.425 7.425 7.518 -0.093 18801 4858 1 10 . 1 1 36 36 ALA N N 36 120.438 120.438 122.691 -2.253 18801 4859 1 10 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.998 -0.308 18801 4860 1 10 . 1 1 36 36 ALA C C 36 176.117 176.117 178.771 -2.654 18801 4861 1 10 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.824 -2.250 18801 4862 1 10 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.321 -3.590 18801 4863 1 10 . 1 1 36 36 ALA H H 36 8.229 8.229 7.994 0.235 18801 4864 1 10 . 1 1 37 37 LYS N N 37 116.463 116.463 115.209 1.254 18801 4865 1 10 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.435 -0.388 18801 4866 1 10 . 1 1 37 37 LYS C C 37 175.232 175.232 176.651 -1.419 18801 4867 1 10 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.643 -1.225 18801 4868 1 10 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.719 -2.763 18801 4869 1 10 . 1 1 37 37 LYS H H 37 7.568 7.568 7.873 -0.305 18801 4870 1 10 . 1 1 38 38 GLU N N 38 115.319 115.319 117.257 -1.938 18801 4871 1 10 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.379 -0.345 18801 4872 1 10 . 1 1 38 38 GLU C C 38 176.423 176.423 177.457 -1.034 18801 4873 1 10 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.775 -1.006 18801 4874 1 10 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.047 -2.758 18801 4875 1 10 . 1 1 38 38 GLU H H 38 7.766 7.766 7.390 0.376 18801 4876 1 10 . 1 1 39 39 LEU N N 39 114.689 114.689 120.106 -5.417 18801 4877 1 10 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.063 0.432 18801 4878 1 10 . 1 1 39 39 LEU C C 39 177.452 177.452 177.928 -0.476 18801 4879 1 10 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.871 -4.826 18801 4880 1 10 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.366 -0.546 18801 4881 1 10 . 1 1 39 39 LEU H H 39 8.214 8.214 7.978 0.236 18801 4882 1 10 . 1 1 40 40 SER N N 40 110.112 110.112 112.865 -2.753 18801 4883 1 10 . 1 1 40 40 SER HA H 40 4.617 4.617 4.374 0.243 18801 4884 1 10 . 1 1 40 40 SER C C 40 177.179 177.179 175.671 1.508 18801 4885 1 10 . 1 1 40 40 SER CA C 40 54.102 54.102 59.329 -5.227 18801 4886 1 10 . 1 1 40 40 SER CB C 40 62.559 62.559 63.163 -0.604 18801 4887 1 10 . 1 1 40 40 SER H H 40 7.848 7.848 7.543 0.305 18801 4888 1 10 . 1 1 41 41 ILE N N 41 119.941 119.941 120.908 -0.967 18801 4889 1 10 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.084 0.286 18801 4890 1 10 . 1 1 41 41 ILE C C 41 178.010 178.010 175.882 2.128 18801 4891 1 10 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.475 -2.597 18801 4892 1 10 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.348 -4.003 18801 4893 1 10 . 1 1 41 41 ILE H H 41 9.126 9.126 8.073 1.053 18801 4894 1 10 . 1 1 42 42 ASP N N 42 120.547 120.547 121.304 -0.757 18801 4895 1 10 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.493 0.340 18801 4896 1 10 . 1 1 42 42 ASP C C 42 179.215 179.215 177.150 2.065 18801 4897 1 10 . 1 1 42 42 ASP CA C 42 49.318 49.318 53.880 -4.562 18801 4898 1 10 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.298 -4.082 18801 4899 1 10 . 1 1 42 42 ASP H H 42 7.476 7.476 7.852 -0.376 18801 4900 1 10 . 1 1 43 43 SER N N 43 122.805 122.805 123.723 -0.918 18801 4901 1 10 . 1 1 43 43 SER HA H 43 4.115 4.115 4.200 -0.085 18801 4902 1 10 . 1 1 43 43 SER C C 43 178.349 178.349 176.230 2.119 18801 4903 1 10 . 1 1 43 43 SER CA C 43 58.425 58.425 60.499 -2.074 18801 4904 1 10 . 1 1 43 43 SER CB C 43 59.904 59.904 63.102 -3.198 18801 4905 1 10 . 1 1 43 43 SER H H 43 8.215 8.215 8.495 -0.280 18801 4906 1 10 . 1 1 44 44 GLY N N 44 107.974 107.974 108.323 -0.349 18801 4907 1 10 . 1 1 44 44 GLY C C 44 179.677 179.677 173.040 6.637 18801 4908 1 10 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.862 -1.051 18801 4909 1 10 . 1 1 44 44 GLY H H 44 8.384 8.384 8.374 0.010 18801 4910 1 10 . 1 1 45 45 SER N N 45 110.539 110.539 115.968 -5.429 18801 4911 1 10 . 1 1 45 45 SER HA H 45 4.493 4.493 4.507 -0.014 18801 4912 1 10 . 1 1 45 45 SER C C 45 176.530 176.530 174.309 2.221 18801 4913 1 10 . 1 1 45 45 SER CA C 45 56.718 56.718 59.405 -2.687 18801 4914 1 10 . 1 1 45 45 SER CB C 45 62.291 62.291 63.210 -0.919 18801 4915 1 10 . 1 1 45 45 SER H H 45 7.177 7.177 7.711 -0.534 18801 4916 1 10 . 1 1 46 46 ALA N N 46 132.579 132.579 125.724 6.855 18801 4917 1 10 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.547 -0.809 18801 4918 1 10 . 1 1 46 46 ALA C C 46 175.404 175.404 179.203 -3.799 18801 4919 1 10 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.690 -0.502 18801 4920 1 10 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.546 -2.609 18801 4921 1 10 . 1 1 46 46 ALA H H 46 8.726 8.726 8.060 0.666 18801 4922 1 10 . 1 1 47 47 LYS N N 47 111.990 111.990 116.601 -4.611 18801 4923 1 10 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.298 -0.191 18801 4924 1 10 . 1 1 47 47 LYS C C 47 177.450 177.450 177.032 0.418 18801 4925 1 10 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.413 -2.304 18801 4926 1 10 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.844 -3.995 18801 4927 1 10 . 1 1 47 47 LYS H H 47 7.668 7.668 8.171 -0.503 18801 4928 1 10 . 1 1 48 48 LYS N N 48 118.900 118.900 117.315 1.585 18801 4929 1 10 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.554 0.049 18801 4930 1 10 . 1 1 48 48 LYS C C 48 177.786 177.786 175.617 2.169 18801 4931 1 10 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.949 -3.435 18801 4932 1 10 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.819 -3.361 18801 4933 1 10 . 1 1 48 48 LYS H H 48 7.382 7.382 7.531 -0.149 18801 4934 1 10 . 1 1 49 49 ASN N N 49 115.995 115.995 117.735 -1.740 18801 4935 1 10 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.313 -0.055 18801 4936 1 10 . 1 1 49 49 ASN C C 49 180.354 180.354 175.845 4.509 18801 4937 1 10 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.566 -2.152 18801 4938 1 10 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.493 -4.171 18801 4939 1 10 . 1 1 49 49 ASN H H 49 8.021 8.021 8.289 -0.268 18801 4940 1 10 . 1 1 50 50 GLY N N 50 104.621 104.621 102.068 2.553 18801 4941 1 10 . 1 1 50 50 GLY C C 50 180.665 180.665 173.340 7.325 18801 4942 1 10 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.882 -3.349 18801 4943 1 10 . 1 1 50 50 GLY H H 50 8.512 8.512 8.849 -0.337 18801 4944 1 10 . 1 1 51 51 ASN N N 51 118.054 118.054 118.367 -0.313 18801 4945 1 10 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.583 0.216 18801 4946 1 10 . 1 1 51 51 ASN C C 51 179.848 179.848 175.552 4.296 18801 4947 1 10 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.796 0.297 18801 4948 1 10 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.343 -2.546 18801 4949 1 10 . 1 1 51 51 ASN H H 51 7.146 7.146 8.012 -0.866 18801 4950 1 10 . 1 1 52 52 LEU N N 52 126.673 126.673 119.601 7.072 18801 4951 1 10 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.287 0.033 18801 4952 1 10 . 1 1 52 52 LEU C C 52 176.682 176.682 177.747 -1.065 18801 4953 1 10 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.211 -3.770 18801 4954 1 10 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.600 -1.138 18801 4955 1 10 . 1 1 52 52 LEU H H 52 8.607 8.607 7.773 0.834 18801 4956 1 10 . 1 1 53 53 GLY N N 53 108.525 108.525 106.947 1.578 18801 4957 1 10 . 1 1 53 53 GLY C C 53 182.708 182.708 173.843 8.865 18801 4958 1 10 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.350 -3.748 18801 4959 1 10 . 1 1 53 53 GLY H H 53 8.121 8.121 7.440 0.681 18801 4960 1 10 . 1 1 54 54 TYR N N 54 114.992 114.992 122.749 -7.757 18801 4961 1 10 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.186 -0.004 18801 4962 1 10 . 1 1 54 54 TYR C C 54 176.195 176.195 176.864 -0.669 18801 4963 1 10 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.191 -2.165 18801 4964 1 10 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.371 -1.976 18801 4965 1 10 . 1 1 54 54 TYR H H 54 8.187 8.187 8.317 -0.130 18801 4966 1 10 . 1 1 55 55 PHE N N 55 118.041 118.041 123.225 -5.184 18801 4967 1 10 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.101 0.002 18801 4968 1 10 . 1 1 55 55 PHE C C 55 181.875 181.875 173.260 8.615 18801 4969 1 10 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.175 -3.250 18801 4970 1 10 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.252 -4.085 18801 4971 1 10 . 1 1 55 55 PHE H H 55 9.093 9.093 8.782 0.311 18801 4972 1 10 . 1 1 56 56 THR N N 56 109.577 109.577 108.436 1.141 18801 4973 1 10 . 1 1 56 56 THR HA H 56 5.267 5.267 4.030 1.237 18801 4974 1 10 . 1 1 56 56 THR C C 56 178.403 178.403 173.383 5.020 18801 4975 1 10 . 1 1 56 56 THR CA C 56 56.522 56.522 59.660 -3.138 18801 4976 1 10 . 1 1 56 56 THR CB C 56 69.673 69.673 71.546 -1.873 18801 4977 1 10 . 1 1 56 56 THR H H 56 7.949 7.949 7.891 0.058 18801 4978 1 10 . 1 1 57 57 LYS N N 57 121.639 121.639 121.783 -0.144 18801 4979 1 10 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.368 -0.373 18801 4980 1 10 . 1 1 57 57 LYS C C 57 176.706 176.706 176.736 -0.030 18801 4981 1 10 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.030 -1.335 18801 4982 1 10 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.856 -2.472 18801 4983 1 10 . 1 1 57 57 LYS H H 57 8.703 8.703 8.652 0.051 18801 4984 1 10 . 1 1 58 58 GLY N N 58 114.416 114.416 112.643 1.773 18801 4985 1 10 . 1 1 58 58 GLY C C 58 180.079 180.079 174.837 5.242 18801 4986 1 10 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.169 -2.810 18801 4987 1 10 . 1 1 58 58 GLY H H 58 10.495 10.495 8.992 1.503 18801 4988 1 10 . 1 1 59 59 MET N N 59 118.231 118.231 118.374 -0.143 18801 4989 1 10 . 1 1 59 59 MET HA H 59 4.366 4.366 4.685 -0.319 18801 4990 1 10 . 1 1 59 59 MET C C 59 178.798 178.798 175.870 2.928 18801 4991 1 10 . 1 1 59 59 MET CA C 59 55.129 55.129 55.532 -0.403 18801 4992 1 10 . 1 1 59 59 MET CB C 59 32.196 32.196 33.316 -1.121 18801 4993 1 10 . 1 1 59 59 MET H H 59 7.681 7.681 8.088 -0.407 18801 4994 1 10 . 1 1 60 60 MET N N 60 118.667 118.667 117.818 0.849 18801 4995 1 10 . 1 1 60 60 MET HA H 60 4.629 4.629 4.842 -0.213 18801 4996 1 10 . 1 1 60 60 MET C C 60 178.834 178.834 174.985 3.849 18801 4997 1 10 . 1 1 60 60 MET CA C 60 49.108 49.108 53.889 -4.781 18801 4998 1 10 . 1 1 60 60 MET CB C 60 30.952 30.952 35.121 -4.169 18801 4999 1 10 . 1 1 60 60 MET H H 60 8.905 8.905 7.841 1.064 18801 5000 1 10 . 1 1 61 61 VAL N N 61 114.198 114.198 115.944 -1.746 18801 5001 1 10 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.548 -0.392 18801 5002 1 10 . 1 1 61 61 VAL C C 61 176.731 176.731 176.539 0.192 18801 5003 1 10 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.604 -0.239 18801 5004 1 10 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.975 -4.294 18801 5005 1 10 . 1 1 61 61 VAL H H 61 8.062 8.062 8.006 0.056 18801 5006 1 10 . 1 1 62 62 LYS N N 62 124.862 124.862 122.414 2.448 18801 5007 1 10 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.222 -0.073 18801 5008 1 10 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.038 -1.792 18801 5009 1 10 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.875 -3.725 18801 5010 1 10 . 1 1 62 62 LYS H H 62 8.736 8.736 8.861 -0.125 18801 5011 1 10 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.355 0.043 18801 5012 1 10 . 1 1 63 63 PRO C C 63 174.841 174.841 175.451 -0.610 18801 5013 1 10 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.513 -0.585 18801 5014 1 10 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.777 -1.550 18801 5015 1 10 . 1 1 64 64 PHE N N 64 115.340 115.340 118.336 -2.996 18801 5016 1 10 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.501 -0.867 18801 5017 1 10 . 1 1 64 64 PHE C C 64 178.782 178.782 175.166 3.616 18801 5018 1 10 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.934 -1.241 18801 5019 1 10 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.407 -3.133 18801 5020 1 10 . 1 1 64 64 PHE H H 64 6.870 6.870 8.021 -1.151 18801 5021 1 10 . 1 1 65 65 GLU N N 65 120.356 120.356 121.901 -1.545 18801 5022 1 10 . 1 1 65 65 GLU HA H 65 3.952 3.952 3.995 -0.043 18801 5023 1 10 . 1 1 65 65 GLU C C 65 177.209 177.209 178.029 -0.820 18801 5024 1 10 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.238 -2.454 18801 5025 1 10 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.750 -1.661 18801 5026 1 10 . 1 1 65 65 GLU H H 65 8.429 8.429 8.591 -0.162 18801 5027 1 10 . 1 1 66 66 ASP N N 66 117.560 117.560 119.163 -1.603 18801 5028 1 10 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.280 0.023 18801 5029 1 10 . 1 1 66 66 ASP C C 66 176.337 176.337 176.163 0.174 18801 5030 1 10 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.383 -2.356 18801 5031 1 10 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.781 -3.259 18801 5032 1 10 . 1 1 66 66 ASP H H 66 8.925 8.925 7.783 1.142 18801 5033 1 10 . 1 1 67 67 ALA N N 67 117.959 117.959 119.819 -1.860 18801 5034 1 10 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.370 -0.245 18801 5035 1 10 . 1 1 67 67 ALA C C 67 174.155 174.155 176.127 -1.972 18801 5036 1 10 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.181 -0.074 18801 5037 1 10 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.674 -1.452 18801 5038 1 10 . 1 1 67 67 ALA H H 67 6.805 6.805 7.029 -0.224 18801 5039 1 10 . 1 1 68 68 ALA N N 68 120.884 120.884 120.678 0.206 18801 5040 1 10 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.082 -0.409 18801 5041 1 10 . 1 1 68 68 ALA C C 68 175.535 175.535 176.467 -0.932 18801 5042 1 10 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.335 -0.011 18801 5043 1 10 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.608 -4.653 18801 5044 1 10 . 1 1 68 68 ALA H H 68 8.836 8.836 6.930 1.906 18801 5045 1 10 . 1 1 69 69 PHE N N 69 110.173 110.173 112.232 -2.059 18801 5046 1 10 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.852 -0.850 18801 5047 1 10 . 1 1 69 69 PHE C C 69 178.751 178.751 175.561 3.190 18801 5048 1 10 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.874 2.606 18801 5049 1 10 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.656 -4.828 18801 5050 1 10 . 1 1 69 69 PHE H H 69 8.087 8.087 6.721 1.366 18801 5051 1 10 . 1 1 70 70 LYS N N 70 116.963 116.963 120.043 -3.080 18801 5052 1 10 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.493 -0.115 18801 5053 1 10 . 1 1 70 70 LYS C C 70 177.534 177.534 175.988 1.546 18801 5054 1 10 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.883 -3.281 18801 5055 1 10 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.977 -0.872 18801 5056 1 10 . 1 1 70 70 LYS H H 70 6.997 6.997 8.373 -1.376 18801 5057 1 10 . 1 1 71 71 LEU N N 71 118.952 118.952 118.792 0.160 18801 5058 1 10 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.575 -0.381 18801 5059 1 10 . 1 1 71 71 LEU C C 71 176.388 176.388 175.959 0.429 18801 5060 1 10 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.058 -1.088 18801 5061 1 10 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.303 -3.361 18801 5062 1 10 . 1 1 71 71 LEU H H 71 6.933 6.933 7.331 -0.398 18801 5063 1 10 . 1 1 72 72 GLN N N 72 121.738 121.738 118.557 3.181 18801 5064 1 10 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.454 -0.134 18801 5065 1 10 . 1 1 72 72 GLN C C 72 177.973 177.973 175.916 2.057 18801 5066 1 10 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.540 -3.318 18801 5067 1 10 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.026 -4.420 18801 5068 1 10 . 1 1 72 72 GLN H H 72 9.040 9.040 8.530 0.510 18801 5069 1 10 . 1 1 73 73 VAL N N 73 122.076 122.076 121.544 0.532 18801 5070 1 10 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.753 -0.922 18801 5071 1 10 . 1 1 73 73 VAL C C 73 177.702 177.702 176.343 1.359 18801 5072 1 10 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.432 -0.034 18801 5073 1 10 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.124 -2.666 18801 5074 1 10 . 1 1 73 73 VAL H H 73 8.759 8.759 8.502 0.257 18801 5075 1 10 . 1 1 74 74 GLY N N 74 117.298 117.298 115.534 1.764 18801 5076 1 10 . 1 1 74 74 GLY C C 74 181.597 181.597 173.461 8.136 18801 5077 1 10 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.526 -2.667 18801 5078 1 10 . 1 1 74 74 GLY H H 74 8.626 8.626 8.418 0.208 18801 5079 1 10 . 1 1 75 75 GLU N N 75 122.135 122.135 120.366 1.769 18801 5080 1 10 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.663 -0.527 18801 5081 1 10 . 1 1 75 75 GLU C C 75 180.891 180.891 175.354 5.537 18801 5082 1 10 . 1 1 75 75 GLU CA C 75 53.363 53.363 55.044 -1.681 18801 5083 1 10 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.551 -3.142 18801 5084 1 10 . 1 1 75 75 GLU H H 75 7.877 7.877 8.020 -0.143 18801 5085 1 10 . 1 1 76 76 VAL N N 76 121.950 121.950 124.809 -2.859 18801 5086 1 10 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.376 0.564 18801 5087 1 10 . 1 1 76 76 VAL C C 76 177.920 177.920 176.312 1.608 18801 5088 1 10 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.508 -4.577 18801 5089 1 10 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.346 -1.305 18801 5090 1 10 . 1 1 76 76 VAL H H 76 7.877 7.877 8.520 -0.643 18801 5091 1 10 . 1 1 77 77 SER N N 77 125.434 125.434 121.868 3.566 18801 5092 1 10 . 1 1 77 77 SER HA H 77 4.275 4.275 4.433 -0.158 18801 5093 1 10 . 1 1 77 77 SER C C 77 181.544 181.544 174.264 7.280 18801 5094 1 10 . 1 1 77 77 SER CA C 77 56.028 56.028 58.636 -2.608 18801 5095 1 10 . 1 1 77 77 SER CB C 77 62.729 62.729 64.542 -1.813 18801 5096 1 10 . 1 1 77 77 SER H H 77 9.611 9.611 8.830 0.781 18801 5097 1 10 . 1 1 78 78 GLU N N 78 114.680 114.680 118.628 -3.948 18801 5098 1 10 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.699 -0.088 18801 5099 1 10 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.093 -0.347 18801 5100 1 10 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.528 -4.024 18801 5101 1 10 . 1 1 78 78 GLU H H 78 7.589 7.589 8.573 -0.984 18801 5102 1 10 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.521 0.209 18801 5103 1 10 . 1 1 79 79 PRO C C 79 177.642 177.642 175.775 1.867 18801 5104 1 10 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.888 -2.410 18801 5105 1 10 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.795 -2.495 18801 5106 1 10 . 1 1 80 80 ILE N N 80 127.418 127.418 125.025 2.393 18801 5107 1 10 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.096 0.404 18801 5108 1 10 . 1 1 80 80 ILE C C 80 179.315 179.315 175.999 3.316 18801 5109 1 10 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.797 -5.088 18801 5110 1 10 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.175 -0.057 18801 5111 1 10 . 1 1 80 80 ILE H H 80 9.614 9.614 8.072 1.542 18801 5112 1 10 . 1 1 81 81 LYS N N 81 129.156 129.156 130.815 -1.659 18801 5113 1 10 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.073 0.203 18801 5114 1 10 . 1 1 81 81 LYS C C 81 179.186 179.186 175.851 3.335 18801 5115 1 10 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.750 -3.870 18801 5116 1 10 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.048 -1.243 18801 5117 1 10 . 1 1 81 81 LYS H H 81 8.637 8.637 8.709 -0.072 18801 5118 1 10 . 1 1 82 82 SER N N 82 125.346 125.346 121.776 3.570 18801 5119 1 10 . 1 1 82 82 SER HA H 82 4.836 4.836 4.870 -0.034 18801 5120 1 10 . 1 1 82 82 SER C C 82 179.369 179.369 174.604 4.765 18801 5121 1 10 . 1 1 82 82 SER CA C 82 53.893 53.893 56.419 -2.526 18801 5122 1 10 . 1 1 82 82 SER CB C 82 64.579 64.579 65.869 -1.290 18801 5123 1 10 . 1 1 82 82 SER H H 82 9.532 9.532 8.240 1.292 18801 5124 1 10 . 1 1 83 83 GLU N N 83 118.760 118.760 119.060 -0.300 18801 5125 1 10 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.958 0.090 18801 5126 1 10 . 1 1 83 83 GLU C C 83 177.803 177.803 176.572 1.231 18801 5127 1 10 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.337 -2.979 18801 5128 1 10 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.011 -2.666 18801 5129 1 10 . 1 1 83 83 GLU H H 83 9.535 9.535 8.696 0.839 18801 5130 1 10 . 1 1 84 84 PHE N N 84 118.360 118.360 118.456 -0.096 18801 5131 1 10 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.520 0.008 18801 5132 1 10 . 1 1 84 84 PHE C C 84 179.367 179.367 175.798 3.569 18801 5133 1 10 . 1 1 84 84 PHE CA C 84 55.118 55.118 58.321 -3.203 18801 5134 1 10 . 1 1 84 84 PHE CB C 84 37.036 37.036 40.043 -3.007 18801 5135 1 10 . 1 1 84 84 PHE H H 84 8.803 8.803 7.445 1.358 18801 5136 1 10 . 1 1 85 85 GLY N N 85 107.365 107.365 105.819 1.546 18801 5137 1 10 . 1 1 85 85 GLY C C 85 184.805 184.805 173.064 11.741 18801 5138 1 10 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.279 -2.601 18801 5139 1 10 . 1 1 85 85 GLY H H 85 7.323 7.323 7.216 0.107 18801 5140 1 10 . 1 1 86 86 TYR N N 86 119.303 119.303 122.887 -3.584 18801 5141 1 10 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.715 0.280 18801 5142 1 10 . 1 1 86 86 TYR C C 86 180.178 180.178 175.876 4.302 18801 5143 1 10 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.601 -4.225 18801 5144 1 10 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.330 0.113 18801 5145 1 10 . 1 1 86 86 TYR H H 86 8.990 8.990 7.983 1.007 18801 5146 1 10 . 1 1 87 87 HIS N N 87 120.588 120.588 123.998 -3.410 18801 5147 1 10 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.231 0.300 18801 5148 1 10 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.736 -4.263 18801 5149 1 10 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.667 -3.488 18801 5150 1 10 . 1 1 87 87 HIS H H 87 9.791 9.791 8.682 1.109 18801 5151 1 10 . 1 1 88 88 ILE N N 88 122.986 122.986 127.433 -4.447 18801 5152 1 10 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.477 -0.432 18801 5153 1 10 . 1 1 88 88 ILE C C 88 179.375 179.375 175.482 3.893 18801 5154 1 10 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.822 0.401 18801 5155 1 10 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.648 0.705 18801 5156 1 10 . 1 1 88 88 ILE H H 88 9.161 9.161 8.305 0.856 18801 5157 1 10 . 1 1 89 89 ILE N N 89 128.220 128.220 128.531 -0.311 18801 5158 1 10 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.447 0.334 18801 5159 1 10 . 1 1 89 89 ILE C C 89 181.174 181.174 175.163 6.011 18801 5160 1 10 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.045 -3.317 18801 5161 1 10 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.840 -0.244 18801 5162 1 10 . 1 1 89 89 ILE H H 89 8.568 8.568 8.100 0.468 18801 5163 1 10 . 1 1 90 90 LYS N N 90 125.284 125.284 127.196 -1.912 18801 5164 1 10 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.001 0.163 18801 5165 1 10 . 1 1 90 90 LYS C C 90 179.565 179.565 175.614 3.951 18801 5166 1 10 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.105 -2.734 18801 5167 1 10 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.498 -2.843 18801 5168 1 10 . 1 1 90 90 LYS H H 90 8.580 8.580 8.521 0.059 18801 5169 1 10 . 1 1 91 91 ARG N N 91 126.331 126.331 127.135 -0.804 18801 5170 1 10 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.432 0.585 18801 5171 1 10 . 1 1 91 91 ARG C C 91 179.376 179.376 175.447 3.929 18801 5172 1 10 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.569 -4.656 18801 5173 1 10 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.989 -3.427 18801 5174 1 10 . 1 1 91 91 ARG H H 91 7.641 7.641 8.176 -0.535 18801 5175 1 10 . 1 1 92 92 PHE N N 92 127.260 127.260 123.627 3.633 18801 5176 1 10 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.613 -0.107 18801 5177 1 10 . 1 1 92 92 PHE C C 92 179.492 179.492 176.587 2.905 18801 5178 1 10 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.063 -1.825 18801 5179 1 10 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.995 -1.389 18801 5180 1 10 . 1 1 92 92 PHE H H 92 9.044 9.044 8.152 0.892 18801 5181 1 11 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.531 -0.062 18801 5182 1 11 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.730 -2.481 18801 5183 1 11 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.168 -2.632 18801 5184 1 11 . 1 1 3 3 SER N N 3 116.356 116.356 120.903 -4.547 18801 5185 1 11 . 1 1 3 3 SER HA H 3 4.457 4.457 4.529 -0.072 18801 5186 1 11 . 1 1 3 3 SER CA C 3 55.255 55.255 58.151 -2.896 18801 5187 1 11 . 1 1 3 3 SER CB C 3 61.066 61.066 62.990 -1.925 18801 5188 1 11 . 1 1 3 3 SER H H 3 8.502 8.502 8.506 -0.004 18801 5189 1 11 . 1 1 4 4 ASN N N 4 120.863 120.863 123.198 -2.335 18801 5190 1 11 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.566 0.130 18801 5191 1 11 . 1 1 4 4 ASN C C 4 180.499 180.499 173.952 6.547 18801 5192 1 11 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.687 -3.951 18801 5193 1 11 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.188 -3.386 18801 5194 1 11 . 1 1 4 4 ASN H H 4 8.463 8.463 8.519 -0.056 18801 5195 1 11 . 1 1 5 5 LYS N N 5 119.444 119.444 116.049 3.395 18801 5196 1 11 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.146 -0.050 18801 5197 1 11 . 1 1 5 5 LYS C C 5 179.306 179.306 174.446 4.860 18801 5198 1 11 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.567 -2.618 18801 5199 1 11 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.508 -3.868 18801 5200 1 11 . 1 1 5 5 LYS H H 5 7.965 7.965 7.563 0.402 18801 5201 1 11 . 1 1 6 6 ILE N N 6 115.941 115.941 113.650 2.291 18801 5202 1 11 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.762 0.799 18801 5203 1 11 . 1 1 6 6 ILE C C 6 183.130 183.130 174.444 8.686 18801 5204 1 11 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.227 -2.509 18801 5205 1 11 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.015 -2.311 18801 5206 1 11 . 1 1 6 6 ILE H H 6 8.133 8.133 7.962 0.171 18801 5207 1 11 . 1 1 7 7 LYS N N 7 122.265 122.265 123.269 -1.004 18801 5208 1 11 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.482 0.273 18801 5209 1 11 . 1 1 7 7 LYS C C 7 177.364 177.364 176.653 0.711 18801 5210 1 11 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.610 -6.382 18801 5211 1 11 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.187 -2.001 18801 5212 1 11 . 1 1 7 7 LYS H H 7 8.155 8.155 8.228 -0.073 18801 5213 1 11 . 1 1 8 8 CYS N N 8 118.452 118.452 121.482 -3.030 18801 5214 1 11 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.146 0.609 18801 5215 1 11 . 1 1 8 8 CYS C C 8 181.803 181.803 172.709 9.094 18801 5216 1 11 . 1 1 8 8 CYS CA C 8 53.600 53.600 58.356 -4.756 18801 5217 1 11 . 1 1 8 8 CYS CB C 8 30.585 30.585 31.026 -0.442 18801 5218 1 11 . 1 1 8 8 CYS H H 8 7.243 7.243 8.595 -1.352 18801 5219 1 11 . 1 1 9 9 SER N N 9 115.559 115.559 114.193 1.366 18801 5220 1 11 . 1 1 9 9 SER HA H 9 5.777 5.777 5.322 0.455 18801 5221 1 11 . 1 1 9 9 SER C C 9 181.609 181.609 172.895 8.714 18801 5222 1 11 . 1 1 9 9 SER CA C 9 53.256 53.256 56.978 -3.722 18801 5223 1 11 . 1 1 9 9 SER CB C 9 64.431 64.431 65.992 -1.561 18801 5224 1 11 . 1 1 9 9 SER H H 9 9.148 9.148 8.412 0.736 18801 5225 1 11 . 1 1 10 10 HIS N N 10 119.227 119.227 114.120 5.107 18801 5226 1 11 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.359 1.132 18801 5227 1 11 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.950 -4.706 18801 5228 1 11 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.591 2.057 18801 5229 1 11 . 1 1 10 10 HIS H H 10 9.626 9.626 9.212 0.414 18801 5230 1 11 . 1 1 11 11 ILE N N 11 121.859 121.859 121.343 0.516 18801 5231 1 11 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.229 -0.821 18801 5232 1 11 . 1 1 11 11 ILE C C 11 182.235 182.235 174.142 8.093 18801 5233 1 11 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.372 -1.764 18801 5234 1 11 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.065 -2.508 18801 5235 1 11 . 1 1 11 11 ILE H H 11 8.978 8.978 8.950 0.028 18801 5236 1 11 . 1 1 12 12 LEU N N 12 128.789 128.789 128.772 0.017 18801 5237 1 11 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.402 -0.354 18801 5238 1 11 . 1 1 12 12 LEU C C 12 180.111 180.111 176.761 3.350 18801 5239 1 11 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.163 -3.634 18801 5240 1 11 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.902 -0.628 18801 5241 1 11 . 1 1 12 12 LEU H H 12 7.659 7.659 8.091 -0.432 18801 5242 1 11 . 1 1 13 13 VAL N N 13 117.652 117.652 120.060 -2.408 18801 5243 1 11 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.762 0.161 18801 5244 1 11 . 1 1 13 13 VAL C C 13 178.956 178.956 175.660 3.296 18801 5245 1 11 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.154 -3.797 18801 5246 1 11 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.486 -2.241 18801 5247 1 11 . 1 1 13 13 VAL H H 13 8.916 8.916 7.837 1.079 18801 5248 1 11 . 1 1 14 14 SER N N 14 115.236 115.236 113.581 1.655 18801 5249 1 11 . 1 1 14 14 SER HA H 14 4.591 4.591 4.619 -0.028 18801 5250 1 11 . 1 1 14 14 SER C C 14 179.440 179.440 173.840 5.600 18801 5251 1 11 . 1 1 14 14 SER CA C 14 58.302 58.302 58.663 -0.361 18801 5252 1 11 . 1 1 14 14 SER CB C 14 61.585 61.585 63.633 -2.048 18801 5253 1 11 . 1 1 14 14 SER H H 14 8.799 8.799 8.369 0.430 18801 5254 1 11 . 1 1 15 15 LYS N N 15 117.100 117.100 119.449 -2.349 18801 5255 1 11 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.763 0.050 18801 5256 1 11 . 1 1 15 15 LYS C C 15 178.183 178.183 176.175 2.008 18801 5257 1 11 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.258 -3.460 18801 5258 1 11 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.759 -1.803 18801 5259 1 11 . 1 1 15 15 LYS H H 15 7.749 7.749 7.682 0.067 18801 5260 1 11 . 1 1 16 16 GLN N N 16 126.339 126.339 122.252 4.087 18801 5261 1 11 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.645 -1.100 18801 5262 1 11 . 1 1 16 16 GLN C C 16 176.604 176.604 177.647 -1.043 18801 5263 1 11 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.966 -2.527 18801 5264 1 11 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.297 -3.533 18801 5265 1 11 . 1 1 16 16 GLN H H 16 8.810 8.810 9.117 -0.307 18801 5266 1 11 . 1 1 17 17 SER N N 17 112.691 112.691 112.676 0.015 18801 5267 1 11 . 1 1 17 17 SER HA H 17 3.841 3.841 4.162 -0.321 18801 5268 1 11 . 1 1 17 17 SER C C 17 176.880 176.880 175.153 1.727 18801 5269 1 11 . 1 1 17 17 SER CA C 17 58.169 58.169 60.673 -2.504 18801 5270 1 11 . 1 1 17 17 SER CB C 17 58.144 58.144 62.682 -4.538 18801 5271 1 11 . 1 1 17 17 SER H H 17 8.637 8.637 8.412 0.225 18801 5272 1 11 . 1 1 18 18 GLU N N 18 122.640 122.640 119.146 3.494 18801 5273 1 11 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.318 -0.274 18801 5274 1 11 . 1 1 18 18 GLU C C 18 176.035 176.035 177.113 -1.078 18801 5275 1 11 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.348 -2.297 18801 5276 1 11 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.363 -3.461 18801 5277 1 11 . 1 1 18 18 GLU H H 18 6.560 6.560 7.610 -1.050 18801 5278 1 11 . 1 1 19 19 ALA N N 19 122.963 122.963 121.298 1.665 18801 5279 1 11 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.129 -0.324 18801 5280 1 11 . 1 1 19 19 ALA C C 19 175.728 175.728 179.692 -3.964 18801 5281 1 11 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.903 -2.953 18801 5282 1 11 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.039 -4.549 18801 5283 1 11 . 1 1 19 19 ALA H H 19 7.435 7.435 7.615 -0.180 18801 5284 1 11 . 1 1 20 20 LEU N N 20 117.683 117.683 119.637 -1.954 18801 5285 1 11 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.080 -0.179 18801 5286 1 11 . 1 1 20 20 LEU C C 20 174.983 174.983 178.198 -3.215 18801 5287 1 11 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.711 -1.702 18801 5288 1 11 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.973 -3.132 18801 5289 1 11 . 1 1 20 20 LEU H H 20 8.204 8.204 8.215 -0.011 18801 5290 1 11 . 1 1 21 21 ALA N N 21 122.191 122.191 122.031 0.160 18801 5291 1 11 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.300 -0.156 18801 5292 1 11 . 1 1 21 21 ALA C C 21 173.510 173.510 178.860 -5.350 18801 5293 1 11 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.247 -2.161 18801 5294 1 11 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.823 -2.961 18801 5295 1 11 . 1 1 21 21 ALA H H 21 7.432 7.432 8.071 -0.639 18801 5296 1 11 . 1 1 22 22 ILE N N 22 120.079 120.079 118.511 1.568 18801 5297 1 11 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.874 -0.471 18801 5298 1 11 . 1 1 22 22 ILE C C 22 177.128 177.128 177.313 -0.185 18801 5299 1 11 . 1 1 22 22 ILE CA C 22 62.278 62.278 62.864 -0.586 18801 5300 1 11 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.060 -2.753 18801 5301 1 11 . 1 1 22 22 ILE H H 22 7.649 7.649 7.654 -0.005 18801 5302 1 11 . 1 1 23 23 MET N N 23 118.682 118.682 115.598 3.084 18801 5303 1 11 . 1 1 23 23 MET HA H 23 4.260 4.260 4.492 -0.232 18801 5304 1 11 . 1 1 23 23 MET C C 23 175.086 175.086 176.846 -1.760 18801 5305 1 11 . 1 1 23 23 MET CA C 23 54.737 54.737 58.239 -3.502 18801 5306 1 11 . 1 1 23 23 MET CB C 23 27.240 27.240 33.047 -5.807 18801 5307 1 11 . 1 1 23 23 MET H H 23 8.008 8.008 7.423 0.585 18801 5308 1 11 . 1 1 24 24 GLU N N 24 118.261 118.261 119.612 -1.351 18801 5309 1 11 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.215 -0.210 18801 5310 1 11 . 1 1 24 24 GLU C C 24 175.157 175.157 179.193 -4.036 18801 5311 1 11 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.230 -1.767 18801 5312 1 11 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.447 -3.196 18801 5313 1 11 . 1 1 24 24 GLU H H 24 7.527 7.527 7.900 -0.373 18801 5314 1 11 . 1 1 25 25 LYS N N 25 121.138 121.138 119.827 1.311 18801 5315 1 11 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.203 -0.194 18801 5316 1 11 . 1 1 25 25 LYS C C 25 174.603 174.603 177.813 -3.210 18801 5317 1 11 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.025 -1.164 18801 5318 1 11 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.839 -3.030 18801 5319 1 11 . 1 1 25 25 LYS H H 25 7.645 7.645 7.983 -0.338 18801 5320 1 11 . 1 1 26 26 LEU N N 26 121.410 121.410 117.705 3.705 18801 5321 1 11 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.583 -0.402 18801 5322 1 11 . 1 1 26 26 LEU C C 26 172.921 172.921 176.988 -4.067 18801 5323 1 11 . 1 1 26 26 LEU CA C 26 54.907 54.907 53.707 1.200 18801 5324 1 11 . 1 1 26 26 LEU CB C 26 38.505 38.505 40.861 -2.356 18801 5325 1 11 . 1 1 26 26 LEU H H 26 8.617 8.617 7.560 1.057 18801 5326 1 11 . 1 1 27 27 LYS N N 27 121.975 121.975 120.503 1.472 18801 5327 1 11 . 1 1 27 27 LYS HA H 27 4.023 4.023 3.996 0.027 18801 5328 1 11 . 1 1 27 27 LYS C C 27 176.493 176.493 177.412 -0.919 18801 5329 1 11 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.826 -2.214 18801 5330 1 11 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.459 -3.201 18801 5331 1 11 . 1 1 27 27 LYS H H 27 8.239 8.239 7.546 0.693 18801 5332 1 11 . 1 1 28 28 SER N N 28 113.123 113.123 112.269 0.854 18801 5333 1 11 . 1 1 28 28 SER HA H 28 4.472 4.472 4.492 -0.020 18801 5334 1 11 . 1 1 28 28 SER C C 28 180.378 180.378 174.190 6.188 18801 5335 1 11 . 1 1 28 28 SER CA C 28 56.232 56.232 58.378 -2.146 18801 5336 1 11 . 1 1 28 28 SER CB C 28 60.798 60.798 64.538 -3.740 18801 5337 1 11 . 1 1 28 28 SER H H 28 7.620 7.620 8.049 -0.429 18801 5338 1 11 . 1 1 29 29 GLY N N 29 107.497 107.497 109.818 -2.321 18801 5339 1 11 . 1 1 29 29 GLY C C 29 179.552 179.552 174.906 4.646 18801 5340 1 11 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.924 -2.876 18801 5341 1 11 . 1 1 29 29 GLY H H 29 7.667 7.667 8.004 -0.337 18801 5342 1 11 . 1 1 30 30 GLU N N 30 121.320 121.320 119.453 1.867 18801 5343 1 11 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.203 0.020 18801 5344 1 11 . 1 1 30 30 GLU C C 30 178.900 178.900 176.979 1.921 18801 5345 1 11 . 1 1 30 30 GLU CA C 30 54.202 54.202 57.799 -3.597 18801 5346 1 11 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.028 -2.947 18801 5347 1 11 . 1 1 30 30 GLU H H 30 7.690 7.690 8.594 -0.904 18801 5348 1 11 . 1 1 31 31 LYS N N 31 122.239 122.239 116.696 5.543 18801 5349 1 11 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.492 -0.261 18801 5350 1 11 . 1 1 31 31 LYS C C 31 177.152 177.152 175.216 1.936 18801 5351 1 11 . 1 1 31 31 LYS CA C 31 53.334 53.334 56.008 -2.674 18801 5352 1 11 . 1 1 31 31 LYS CB C 31 30.136 30.136 32.745 -2.609 18801 5353 1 11 . 1 1 31 31 LYS H H 31 8.793 8.793 7.680 1.113 18801 5354 1 11 . 1 1 32 32 PHE N N 32 126.167 126.167 125.526 0.641 18801 5355 1 11 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.232 -0.597 18801 5356 1 11 . 1 1 32 32 PHE C C 32 177.437 177.437 176.732 0.705 18801 5357 1 11 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.431 -1.349 18801 5358 1 11 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.645 -2.119 18801 5359 1 11 . 1 1 32 32 PHE H H 32 9.002 9.002 8.662 0.340 18801 5360 1 11 . 1 1 33 33 GLY N N 33 103.648 103.648 105.180 -1.532 18801 5361 1 11 . 1 1 33 33 GLY C C 33 179.280 179.280 175.732 3.548 18801 5362 1 11 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.966 -2.807 18801 5363 1 11 . 1 1 33 33 GLY H H 33 9.168 9.168 8.819 0.349 18801 5364 1 11 . 1 1 34 34 LYS N N 34 120.972 120.972 121.710 -0.738 18801 5365 1 11 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.102 -0.132 18801 5366 1 11 . 1 1 34 34 LYS C C 34 176.326 176.326 177.456 -1.130 18801 5367 1 11 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.037 -1.795 18801 5368 1 11 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.140 -1.805 18801 5369 1 11 . 1 1 34 34 LYS H H 34 6.642 6.642 7.775 -1.133 18801 5370 1 11 . 1 1 35 35 LEU N N 35 118.154 118.154 115.529 2.625 18801 5371 1 11 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.452 -0.549 18801 5372 1 11 . 1 1 35 35 LEU C C 35 175.872 175.872 177.791 -1.919 18801 5373 1 11 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.770 -1.278 18801 5374 1 11 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.514 -3.744 18801 5375 1 11 . 1 1 35 35 LEU H H 35 7.425 7.425 7.305 0.120 18801 5376 1 11 . 1 1 36 36 ALA N N 36 120.438 120.438 122.683 -2.245 18801 5377 1 11 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.970 -0.280 18801 5378 1 11 . 1 1 36 36 ALA C C 36 176.117 176.117 178.816 -2.699 18801 5379 1 11 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.807 -2.233 18801 5380 1 11 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.238 -3.507 18801 5381 1 11 . 1 1 36 36 ALA H H 36 8.229 8.229 7.928 0.301 18801 5382 1 11 . 1 1 37 37 LYS N N 37 116.463 116.463 115.089 1.374 18801 5383 1 11 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.445 -0.398 18801 5384 1 11 . 1 1 37 37 LYS C C 37 175.232 175.232 176.524 -1.292 18801 5385 1 11 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.467 -1.049 18801 5386 1 11 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.708 -2.751 18801 5387 1 11 . 1 1 37 37 LYS H H 37 7.568 7.568 8.045 -0.477 18801 5388 1 11 . 1 1 38 38 GLU N N 38 115.319 115.319 117.413 -2.094 18801 5389 1 11 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.385 -0.351 18801 5390 1 11 . 1 1 38 38 GLU C C 38 176.423 176.423 177.469 -1.046 18801 5391 1 11 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.781 -1.012 18801 5392 1 11 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.032 -2.743 18801 5393 1 11 . 1 1 38 38 GLU H H 38 7.766 7.766 7.418 0.348 18801 5394 1 11 . 1 1 39 39 LEU N N 39 114.689 114.689 120.084 -5.395 18801 5395 1 11 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.066 0.429 18801 5396 1 11 . 1 1 39 39 LEU C C 39 177.452 177.452 177.907 -0.455 18801 5397 1 11 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.932 -4.887 18801 5398 1 11 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.400 -0.580 18801 5399 1 11 . 1 1 39 39 LEU H H 39 8.214 8.214 7.994 0.220 18801 5400 1 11 . 1 1 40 40 SER N N 40 110.112 110.112 112.922 -2.810 18801 5401 1 11 . 1 1 40 40 SER HA H 40 4.617 4.617 4.373 0.244 18801 5402 1 11 . 1 1 40 40 SER C C 40 177.179 177.179 175.731 1.448 18801 5403 1 11 . 1 1 40 40 SER CA C 40 54.102 54.102 59.279 -5.177 18801 5404 1 11 . 1 1 40 40 SER CB C 40 62.559 62.559 63.150 -0.591 18801 5405 1 11 . 1 1 40 40 SER H H 40 7.848 7.848 7.559 0.289 18801 5406 1 11 . 1 1 41 41 ILE N N 41 119.941 119.941 120.981 -1.040 18801 5407 1 11 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.062 0.308 18801 5408 1 11 . 1 1 41 41 ILE C C 41 178.010 178.010 175.928 2.082 18801 5409 1 11 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.689 -2.811 18801 5410 1 11 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.317 -3.972 18801 5411 1 11 . 1 1 41 41 ILE H H 41 9.126 9.126 8.059 1.067 18801 5412 1 11 . 1 1 42 42 ASP N N 42 120.547 120.547 121.311 -0.764 18801 5413 1 11 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.476 0.357 18801 5414 1 11 . 1 1 42 42 ASP C C 42 179.215 179.215 177.200 2.015 18801 5415 1 11 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.094 -4.776 18801 5416 1 11 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.000 -3.784 18801 5417 1 11 . 1 1 42 42 ASP H H 42 7.476 7.476 7.781 -0.305 18801 5418 1 11 . 1 1 43 43 SER N N 43 122.805 122.805 123.063 -0.258 18801 5419 1 11 . 1 1 43 43 SER HA H 43 4.115 4.115 4.147 -0.032 18801 5420 1 11 . 1 1 43 43 SER C C 43 178.349 178.349 175.368 2.981 18801 5421 1 11 . 1 1 43 43 SER CA C 43 58.425 58.425 60.827 -2.401 18801 5422 1 11 . 1 1 43 43 SER CB C 43 59.904 59.904 63.268 -3.364 18801 5423 1 11 . 1 1 43 43 SER H H 43 8.215 8.215 8.585 -0.370 18801 5424 1 11 . 1 1 44 44 GLY N N 44 107.974 107.974 106.754 1.220 18801 5425 1 11 . 1 1 44 44 GLY C C 44 179.677 179.677 173.901 5.776 18801 5426 1 11 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.032 -1.221 18801 5427 1 11 . 1 1 44 44 GLY H H 44 8.384 8.384 7.921 0.463 18801 5428 1 11 . 1 1 45 45 SER N N 45 110.539 110.539 117.093 -6.554 18801 5429 1 11 . 1 1 45 45 SER HA H 45 4.493 4.493 4.468 0.025 18801 5430 1 11 . 1 1 45 45 SER C C 45 176.530 176.530 174.925 1.605 18801 5431 1 11 . 1 1 45 45 SER CA C 45 56.718 56.718 59.646 -2.928 18801 5432 1 11 . 1 1 45 45 SER CB C 45 62.291 62.291 64.047 -1.756 18801 5433 1 11 . 1 1 45 45 SER H H 45 7.177 7.177 7.838 -0.661 18801 5434 1 11 . 1 1 46 46 ALA N N 46 132.579 132.579 125.801 6.778 18801 5435 1 11 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.482 -0.744 18801 5436 1 11 . 1 1 46 46 ALA C C 46 175.404 175.404 179.035 -3.631 18801 5437 1 11 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.785 -0.598 18801 5438 1 11 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.578 -2.641 18801 5439 1 11 . 1 1 46 46 ALA H H 46 8.726 8.726 7.919 0.807 18801 5440 1 11 . 1 1 47 47 LYS N N 47 111.990 111.990 116.146 -4.156 18801 5441 1 11 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.245 -0.138 18801 5442 1 11 . 1 1 47 47 LYS C C 47 177.450 177.450 177.042 0.408 18801 5443 1 11 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.627 -2.518 18801 5444 1 11 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.904 -4.055 18801 5445 1 11 . 1 1 47 47 LYS H H 47 7.668 7.668 8.203 -0.535 18801 5446 1 11 . 1 1 48 48 LYS N N 48 118.900 118.900 116.865 2.035 18801 5447 1 11 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.562 0.041 18801 5448 1 11 . 1 1 48 48 LYS C C 48 177.786 177.786 175.594 2.192 18801 5449 1 11 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.820 -3.306 18801 5450 1 11 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.849 -3.391 18801 5451 1 11 . 1 1 48 48 LYS H H 48 7.382 7.382 7.807 -0.425 18801 5452 1 11 . 1 1 49 49 ASN N N 49 115.995 115.995 117.653 -1.658 18801 5453 1 11 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.311 -0.053 18801 5454 1 11 . 1 1 49 49 ASN C C 49 180.354 180.354 175.808 4.546 18801 5455 1 11 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.618 -2.204 18801 5456 1 11 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.248 -3.926 18801 5457 1 11 . 1 1 49 49 ASN H H 49 8.021 8.021 8.209 -0.188 18801 5458 1 11 . 1 1 50 50 GLY N N 50 104.621 104.621 102.104 2.517 18801 5459 1 11 . 1 1 50 50 GLY C C 50 180.665 180.665 173.316 7.349 18801 5460 1 11 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.975 -3.442 18801 5461 1 11 . 1 1 50 50 GLY H H 50 8.512 8.512 8.757 -0.245 18801 5462 1 11 . 1 1 51 51 ASN N N 51 118.054 118.054 118.812 -0.758 18801 5463 1 11 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.839 -0.040 18801 5464 1 11 . 1 1 51 51 ASN C C 51 179.848 179.848 175.798 4.050 18801 5465 1 11 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.505 0.588 18801 5466 1 11 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.800 -3.003 18801 5467 1 11 . 1 1 51 51 ASN H H 51 7.146 7.146 8.090 -0.944 18801 5468 1 11 . 1 1 52 52 LEU N N 52 126.673 126.673 119.641 7.032 18801 5469 1 11 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.306 0.014 18801 5470 1 11 . 1 1 52 52 LEU C C 52 176.682 176.682 177.714 -1.032 18801 5471 1 11 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.200 -3.759 18801 5472 1 11 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.601 -1.139 18801 5473 1 11 . 1 1 52 52 LEU H H 52 8.607 8.607 7.917 0.690 18801 5474 1 11 . 1 1 53 53 GLY N N 53 108.525 108.525 107.148 1.377 18801 5475 1 11 . 1 1 53 53 GLY C C 53 182.708 182.708 173.886 8.822 18801 5476 1 11 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.523 -3.921 18801 5477 1 11 . 1 1 53 53 GLY H H 53 8.121 8.121 7.547 0.574 18801 5478 1 11 . 1 1 54 54 TYR N N 54 114.992 114.992 123.689 -8.697 18801 5479 1 11 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.166 0.016 18801 5480 1 11 . 1 1 54 54 TYR C C 54 176.195 176.195 176.141 0.054 18801 5481 1 11 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.798 -2.772 18801 5482 1 11 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.450 -2.055 18801 5483 1 11 . 1 1 54 54 TYR H H 54 8.187 8.187 8.413 -0.226 18801 5484 1 11 . 1 1 55 55 PHE N N 55 118.041 118.041 121.279 -3.238 18801 5485 1 11 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.027 0.076 18801 5486 1 11 . 1 1 55 55 PHE C C 55 181.875 181.875 173.361 8.514 18801 5487 1 11 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.592 -2.667 18801 5488 1 11 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.251 -3.084 18801 5489 1 11 . 1 1 55 55 PHE H H 55 9.093 9.093 8.574 0.519 18801 5490 1 11 . 1 1 56 56 THR N N 56 109.577 109.577 110.661 -1.084 18801 5491 1 11 . 1 1 56 56 THR HA H 56 5.267 5.267 3.972 1.295 18801 5492 1 11 . 1 1 56 56 THR C C 56 178.403 178.403 173.416 4.987 18801 5493 1 11 . 1 1 56 56 THR CA C 56 56.522 56.522 60.251 -3.729 18801 5494 1 11 . 1 1 56 56 THR CB C 56 69.673 69.673 71.504 -1.831 18801 5495 1 11 . 1 1 56 56 THR H H 56 7.949 7.949 7.789 0.160 18801 5496 1 11 . 1 1 57 57 LYS N N 57 121.639 121.639 121.481 0.158 18801 5497 1 11 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.352 -0.357 18801 5498 1 11 . 1 1 57 57 LYS C C 57 176.706 176.706 176.926 -0.220 18801 5499 1 11 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.332 -1.637 18801 5500 1 11 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.754 -2.370 18801 5501 1 11 . 1 1 57 57 LYS H H 57 8.703 8.703 8.660 0.043 18801 5502 1 11 . 1 1 58 58 GLY N N 58 114.416 114.416 112.763 1.653 18801 5503 1 11 . 1 1 58 58 GLY C C 58 180.079 180.079 174.794 5.285 18801 5504 1 11 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.157 -2.797 18801 5505 1 11 . 1 1 58 58 GLY H H 58 10.495 10.495 9.093 1.402 18801 5506 1 11 . 1 1 59 59 MET N N 59 118.231 118.231 118.006 0.225 18801 5507 1 11 . 1 1 59 59 MET HA H 59 4.366 4.366 4.720 -0.354 18801 5508 1 11 . 1 1 59 59 MET C C 59 178.798 178.798 175.804 2.994 18801 5509 1 11 . 1 1 59 59 MET CA C 59 55.129 55.129 55.443 -0.314 18801 5510 1 11 . 1 1 59 59 MET CB C 59 32.196 32.196 33.424 -1.228 18801 5511 1 11 . 1 1 59 59 MET H H 59 7.681 7.681 8.044 -0.363 18801 5512 1 11 . 1 1 60 60 MET N N 60 118.667 118.667 117.896 0.771 18801 5513 1 11 . 1 1 60 60 MET HA H 60 4.629 4.629 4.844 -0.215 18801 5514 1 11 . 1 1 60 60 MET C C 60 178.834 178.834 174.869 3.965 18801 5515 1 11 . 1 1 60 60 MET CA C 60 49.108 49.108 53.924 -4.816 18801 5516 1 11 . 1 1 60 60 MET CB C 60 30.952 30.952 35.255 -4.303 18801 5517 1 11 . 1 1 60 60 MET H H 60 8.905 8.905 7.850 1.055 18801 5518 1 11 . 1 1 61 61 VAL N N 61 114.198 114.198 116.769 -2.571 18801 5519 1 11 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.580 -0.424 18801 5520 1 11 . 1 1 61 61 VAL C C 61 176.731 176.731 176.499 0.232 18801 5521 1 11 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.524 -1.159 18801 5522 1 11 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.829 -4.148 18801 5523 1 11 . 1 1 61 61 VAL H H 61 8.062 8.062 8.094 -0.032 18801 5524 1 11 . 1 1 62 62 LYS N N 62 124.862 124.862 122.551 2.311 18801 5525 1 11 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.275 -0.126 18801 5526 1 11 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.985 -1.739 18801 5527 1 11 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.583 -3.433 18801 5528 1 11 . 1 1 62 62 LYS H H 62 8.736 8.736 8.843 -0.107 18801 5529 1 11 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.353 0.045 18801 5530 1 11 . 1 1 63 63 PRO C C 63 174.841 174.841 175.454 -0.613 18801 5531 1 11 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.495 -0.567 18801 5532 1 11 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.770 -1.543 18801 5533 1 11 . 1 1 64 64 PHE N N 64 115.340 115.340 118.497 -3.157 18801 5534 1 11 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.446 -0.812 18801 5535 1 11 . 1 1 64 64 PHE C C 64 178.782 178.782 175.146 3.636 18801 5536 1 11 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.872 -1.179 18801 5537 1 11 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.474 -3.200 18801 5538 1 11 . 1 1 64 64 PHE H H 64 6.870 6.870 8.016 -1.146 18801 5539 1 11 . 1 1 65 65 GLU N N 65 120.356 120.356 121.388 -1.032 18801 5540 1 11 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.027 -0.075 18801 5541 1 11 . 1 1 65 65 GLU C C 65 177.209 177.209 178.273 -1.064 18801 5542 1 11 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.043 -2.259 18801 5543 1 11 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.917 -1.828 18801 5544 1 11 . 1 1 65 65 GLU H H 65 8.429 8.429 8.609 -0.180 18801 5545 1 11 . 1 1 66 66 ASP N N 66 117.560 117.560 119.720 -2.160 18801 5546 1 11 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.227 0.076 18801 5547 1 11 . 1 1 66 66 ASP C C 66 176.337 176.337 176.022 0.315 18801 5548 1 11 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.580 -2.553 18801 5549 1 11 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.879 -3.357 18801 5550 1 11 . 1 1 66 66 ASP H H 66 8.925 8.925 7.736 1.189 18801 5551 1 11 . 1 1 67 67 ALA N N 67 117.959 117.959 118.590 -0.631 18801 5552 1 11 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.390 -0.265 18801 5553 1 11 . 1 1 67 67 ALA C C 67 174.155 174.155 176.336 -2.181 18801 5554 1 11 . 1 1 67 67 ALA CA C 67 51.107 51.107 50.942 0.165 18801 5555 1 11 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.368 -1.146 18801 5556 1 11 . 1 1 67 67 ALA H H 67 6.805 6.805 7.055 -0.250 18801 5557 1 11 . 1 1 68 68 ALA N N 68 120.884 120.884 120.618 0.266 18801 5558 1 11 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.090 -0.417 18801 5559 1 11 . 1 1 68 68 ALA C C 68 175.535 175.535 176.745 -1.210 18801 5560 1 11 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.656 -0.332 18801 5561 1 11 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.658 -4.703 18801 5562 1 11 . 1 1 68 68 ALA H H 68 8.836 8.836 7.014 1.822 18801 5563 1 11 . 1 1 69 69 PHE N N 69 110.173 110.173 111.723 -1.550 18801 5564 1 11 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.884 -0.882 18801 5565 1 11 . 1 1 69 69 PHE C C 69 178.751 178.751 175.310 3.441 18801 5566 1 11 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.910 2.570 18801 5567 1 11 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.689 -4.861 18801 5568 1 11 . 1 1 69 69 PHE H H 69 8.087 8.087 6.649 1.438 18801 5569 1 11 . 1 1 70 70 LYS N N 70 116.963 116.963 120.354 -3.391 18801 5570 1 11 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.381 -0.003 18801 5571 1 11 . 1 1 70 70 LYS C C 70 177.534 177.534 175.971 1.563 18801 5572 1 11 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.796 -3.194 18801 5573 1 11 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.881 -0.776 18801 5574 1 11 . 1 1 70 70 LYS H H 70 6.997 6.997 8.040 -1.043 18801 5575 1 11 . 1 1 71 71 LEU N N 71 118.952 118.952 119.063 -0.111 18801 5576 1 11 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.556 -0.362 18801 5577 1 11 . 1 1 71 71 LEU C C 71 176.388 176.388 176.211 0.177 18801 5578 1 11 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.161 -1.191 18801 5579 1 11 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.120 -3.178 18801 5580 1 11 . 1 1 71 71 LEU H H 71 6.933 6.933 7.427 -0.494 18801 5581 1 11 . 1 1 72 72 GLN N N 72 121.738 121.738 118.690 3.048 18801 5582 1 11 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.403 -0.083 18801 5583 1 11 . 1 1 72 72 GLN C C 72 177.973 177.973 176.253 1.720 18801 5584 1 11 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.854 -3.632 18801 5585 1 11 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.021 -4.415 18801 5586 1 11 . 1 1 72 72 GLN H H 72 9.040 9.040 8.385 0.655 18801 5587 1 11 . 1 1 73 73 VAL N N 73 122.076 122.076 121.950 0.126 18801 5588 1 11 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.836 -1.005 18801 5589 1 11 . 1 1 73 73 VAL C C 73 177.702 177.702 176.412 1.290 18801 5590 1 11 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.676 -0.278 18801 5591 1 11 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.775 -3.317 18801 5592 1 11 . 1 1 73 73 VAL H H 73 8.759 8.759 8.524 0.235 18801 5593 1 11 . 1 1 74 74 GLY N N 74 117.298 117.298 114.695 2.603 18801 5594 1 11 . 1 1 74 74 GLY C C 74 181.597 181.597 173.386 8.211 18801 5595 1 11 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.433 -2.574 18801 5596 1 11 . 1 1 74 74 GLY H H 74 8.626 8.626 8.370 0.256 18801 5597 1 11 . 1 1 75 75 GLU N N 75 122.135 122.135 120.147 1.988 18801 5598 1 11 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.648 -0.512 18801 5599 1 11 . 1 1 75 75 GLU C C 75 180.891 180.891 175.472 5.419 18801 5600 1 11 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.661 -1.298 18801 5601 1 11 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.149 -2.740 18801 5602 1 11 . 1 1 75 75 GLU H H 75 7.877 7.877 8.012 -0.135 18801 5603 1 11 . 1 1 76 76 VAL N N 76 121.950 121.950 124.279 -2.329 18801 5604 1 11 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.429 0.511 18801 5605 1 11 . 1 1 76 76 VAL C C 76 177.920 177.920 176.418 1.502 18801 5606 1 11 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.340 -4.409 18801 5607 1 11 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.054 -1.014 18801 5608 1 11 . 1 1 76 76 VAL H H 76 7.877 7.877 8.480 -0.603 18801 5609 1 11 . 1 1 77 77 SER N N 77 125.434 125.434 122.573 2.861 18801 5610 1 11 . 1 1 77 77 SER HA H 77 4.275 4.275 4.459 -0.184 18801 5611 1 11 . 1 1 77 77 SER C C 77 181.544 181.544 174.437 7.107 18801 5612 1 11 . 1 1 77 77 SER CA C 77 56.028 56.028 57.827 -1.798 18801 5613 1 11 . 1 1 77 77 SER CB C 77 62.729 62.729 65.341 -2.612 18801 5614 1 11 . 1 1 77 77 SER H H 77 9.611 9.611 8.880 0.731 18801 5615 1 11 . 1 1 78 78 GLU N N 78 114.680 114.680 117.104 -2.424 18801 5616 1 11 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.638 -0.027 18801 5617 1 11 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.761 -0.015 18801 5618 1 11 . 1 1 78 78 GLU CB C 78 25.504 25.504 30.008 -4.504 18801 5619 1 11 . 1 1 78 78 GLU H H 78 7.589 7.589 8.551 -0.962 18801 5620 1 11 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.510 0.220 18801 5621 1 11 . 1 1 79 79 PRO C C 79 177.642 177.642 175.735 1.907 18801 5622 1 11 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.780 -2.302 18801 5623 1 11 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.766 -2.466 18801 5624 1 11 . 1 1 80 80 ILE N N 80 127.418 127.418 125.174 2.244 18801 5625 1 11 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.104 0.396 18801 5626 1 11 . 1 1 80 80 ILE C C 80 179.315 179.315 175.917 3.398 18801 5627 1 11 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.408 -4.700 18801 5628 1 11 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.016 0.102 18801 5629 1 11 . 1 1 80 80 ILE H H 80 9.614 9.614 8.110 1.504 18801 5630 1 11 . 1 1 81 81 LYS N N 81 129.156 129.156 130.208 -1.052 18801 5631 1 11 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.181 0.095 18801 5632 1 11 . 1 1 81 81 LYS C C 81 179.186 179.186 175.797 3.389 18801 5633 1 11 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.856 -3.976 18801 5634 1 11 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.458 -1.653 18801 5635 1 11 . 1 1 81 81 LYS H H 81 8.637 8.637 8.775 -0.138 18801 5636 1 11 . 1 1 82 82 SER N N 82 125.346 125.346 122.440 2.906 18801 5637 1 11 . 1 1 82 82 SER HA H 82 4.836 4.836 4.816 0.020 18801 5638 1 11 . 1 1 82 82 SER C C 82 179.369 179.369 174.361 5.008 18801 5639 1 11 . 1 1 82 82 SER CA C 82 53.893 53.893 56.348 -2.455 18801 5640 1 11 . 1 1 82 82 SER CB C 82 64.579 64.579 66.107 -1.528 18801 5641 1 11 . 1 1 82 82 SER H H 82 9.532 9.532 8.219 1.313 18801 5642 1 11 . 1 1 83 83 GLU N N 83 118.760 118.760 118.833 -0.073 18801 5643 1 11 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.037 0.011 18801 5644 1 11 . 1 1 83 83 GLU C C 83 177.803 177.803 176.697 1.106 18801 5645 1 11 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.478 -3.120 18801 5646 1 11 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.206 -2.861 18801 5647 1 11 . 1 1 83 83 GLU H H 83 9.535 9.535 8.660 0.875 18801 5648 1 11 . 1 1 84 84 PHE N N 84 118.360 118.360 118.109 0.251 18801 5649 1 11 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.567 -0.039 18801 5650 1 11 . 1 1 84 84 PHE C C 84 179.367 179.367 175.873 3.494 18801 5651 1 11 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.692 -2.574 18801 5652 1 11 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.787 -2.751 18801 5653 1 11 . 1 1 84 84 PHE H H 84 8.803 8.803 7.536 1.267 18801 5654 1 11 . 1 1 85 85 GLY N N 85 107.365 107.365 105.962 1.403 18801 5655 1 11 . 1 1 85 85 GLY C C 85 184.805 184.805 173.048 11.757 18801 5656 1 11 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.292 -2.614 18801 5657 1 11 . 1 1 85 85 GLY H H 85 7.323 7.323 7.186 0.137 18801 5658 1 11 . 1 1 86 86 TYR N N 86 119.303 119.303 122.890 -3.587 18801 5659 1 11 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.733 0.262 18801 5660 1 11 . 1 1 86 86 TYR C C 86 180.178 180.178 175.901 4.277 18801 5661 1 11 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.433 -4.057 18801 5662 1 11 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.225 0.218 18801 5663 1 11 . 1 1 86 86 TYR H H 86 8.990 8.990 7.996 0.994 18801 5664 1 11 . 1 1 87 87 HIS N N 87 120.588 120.588 124.258 -3.670 18801 5665 1 11 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.144 0.387 18801 5666 1 11 . 1 1 87 87 HIS CA C 87 51.473 51.473 56.076 -4.603 18801 5667 1 11 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.370 -3.191 18801 5668 1 11 . 1 1 87 87 HIS H H 87 9.791 9.791 8.706 1.085 18801 5669 1 11 . 1 1 88 88 ILE N N 88 122.986 122.986 127.287 -4.301 18801 5670 1 11 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.486 -0.441 18801 5671 1 11 . 1 1 88 88 ILE C C 88 179.375 179.375 175.833 3.542 18801 5672 1 11 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.214 0.009 18801 5673 1 11 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.547 0.805 18801 5674 1 11 . 1 1 88 88 ILE H H 88 9.161 9.161 8.275 0.886 18801 5675 1 11 . 1 1 89 89 ILE N N 89 128.220 128.220 128.692 -0.472 18801 5676 1 11 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.532 0.249 18801 5677 1 11 . 1 1 89 89 ILE C C 89 181.174 181.174 174.956 6.218 18801 5678 1 11 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.143 -3.415 18801 5679 1 11 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.610 -0.014 18801 5680 1 11 . 1 1 89 89 ILE H H 89 8.568 8.568 8.282 0.286 18801 5681 1 11 . 1 1 90 90 LYS N N 90 125.284 125.284 126.594 -1.310 18801 5682 1 11 . 1 1 90 90 LYS HA H 90 5.164 5.164 4.992 0.172 18801 5683 1 11 . 1 1 90 90 LYS C C 90 179.565 179.565 175.236 4.329 18801 5684 1 11 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.259 -2.888 18801 5685 1 11 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.972 -3.317 18801 5686 1 11 . 1 1 90 90 LYS H H 90 8.580 8.580 7.870 0.710 18801 5687 1 11 . 1 1 91 91 ARG N N 91 126.331 126.331 126.307 0.024 18801 5688 1 11 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.440 0.577 18801 5689 1 11 . 1 1 91 91 ARG C C 91 179.376 179.376 175.166 4.210 18801 5690 1 11 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.205 -4.292 18801 5691 1 11 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.981 -3.419 18801 5692 1 11 . 1 1 91 91 ARG H H 91 7.641 7.641 8.072 -0.431 18801 5693 1 11 . 1 1 92 92 PHE N N 92 127.260 127.260 124.748 2.512 18801 5694 1 11 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.622 -0.116 18801 5695 1 11 . 1 1 92 92 PHE C C 92 179.492 179.492 176.503 2.989 18801 5696 1 11 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.527 -2.289 18801 5697 1 11 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.777 -1.171 18801 5698 1 11 . 1 1 92 92 PHE H H 92 9.044 9.044 8.116 0.928 18801 5699 1 12 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.650 -0.181 18801 5700 1 12 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.819 -2.570 18801 5701 1 12 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.630 -2.094 18801 5702 1 12 . 1 1 3 3 SER N N 3 116.356 116.356 119.068 -2.712 18801 5703 1 12 . 1 1 3 3 SER HA H 3 4.457 4.457 4.441 0.016 18801 5704 1 12 . 1 1 3 3 SER CA C 3 55.255 55.255 58.235 -2.980 18801 5705 1 12 . 1 1 3 3 SER CB C 3 61.066 61.066 64.391 -3.325 18801 5706 1 12 . 1 1 3 3 SER H H 3 8.502 8.502 8.320 0.182 18801 5707 1 12 . 1 1 4 4 ASN N N 4 120.863 120.863 119.171 1.692 18801 5708 1 12 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.732 -0.036 18801 5709 1 12 . 1 1 4 4 ASN C C 4 180.499 180.499 173.762 6.737 18801 5710 1 12 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.667 -2.931 18801 5711 1 12 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.286 -3.485 18801 5712 1 12 . 1 1 4 4 ASN H H 4 8.463 8.463 8.642 -0.179 18801 5713 1 12 . 1 1 5 5 LYS N N 5 119.444 119.444 118.314 1.130 18801 5714 1 12 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.096 0.000 18801 5715 1 12 . 1 1 5 5 LYS C C 5 179.306 179.306 174.899 4.407 18801 5716 1 12 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.472 -2.523 18801 5717 1 12 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.768 -3.127 18801 5718 1 12 . 1 1 5 5 LYS H H 5 7.965 7.965 7.426 0.539 18801 5719 1 12 . 1 1 6 6 ILE N N 6 115.941 115.941 113.017 2.924 18801 5720 1 12 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.858 0.703 18801 5721 1 12 . 1 1 6 6 ILE C C 6 183.130 183.130 173.985 9.145 18801 5722 1 12 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.637 -1.919 18801 5723 1 12 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.184 -2.480 18801 5724 1 12 . 1 1 6 6 ILE H H 6 8.133 8.133 7.925 0.208 18801 5725 1 12 . 1 1 7 7 LYS N N 7 122.265 122.265 123.182 -0.917 18801 5726 1 12 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.728 0.027 18801 5727 1 12 . 1 1 7 7 LYS C C 7 177.364 177.364 176.914 0.450 18801 5728 1 12 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.433 -6.205 18801 5729 1 12 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.324 -2.138 18801 5730 1 12 . 1 1 7 7 LYS H H 7 8.155 8.155 8.282 -0.127 18801 5731 1 12 . 1 1 8 8 CYS N N 8 118.452 118.452 119.459 -1.007 18801 5732 1 12 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.230 0.525 18801 5733 1 12 . 1 1 8 8 CYS C C 8 181.803 181.803 172.474 9.329 18801 5734 1 12 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.679 -4.079 18801 5735 1 12 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.408 0.177 18801 5736 1 12 . 1 1 8 8 CYS H H 8 7.243 7.243 8.486 -1.243 18801 5737 1 12 . 1 1 9 9 SER N N 9 115.559 115.559 115.034 0.525 18801 5738 1 12 . 1 1 9 9 SER HA H 9 5.777 5.777 5.412 0.365 18801 5739 1 12 . 1 1 9 9 SER C C 9 181.609 181.609 173.222 8.387 18801 5740 1 12 . 1 1 9 9 SER CA C 9 53.256 53.256 56.810 -3.554 18801 5741 1 12 . 1 1 9 9 SER CB C 9 64.431 64.431 65.647 -1.216 18801 5742 1 12 . 1 1 9 9 SER H H 9 9.148 9.148 8.301 0.847 18801 5743 1 12 . 1 1 10 10 HIS N N 10 119.227 119.227 113.921 5.306 18801 5744 1 12 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.336 1.155 18801 5745 1 12 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.999 -4.755 18801 5746 1 12 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.365 2.283 18801 5747 1 12 . 1 1 10 10 HIS H H 10 9.626 9.626 8.732 0.894 18801 5748 1 12 . 1 1 11 11 ILE N N 11 121.859 121.859 121.794 0.065 18801 5749 1 12 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.244 -0.836 18801 5750 1 12 . 1 1 11 11 ILE C C 11 182.235 182.235 174.111 8.124 18801 5751 1 12 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.184 -1.576 18801 5752 1 12 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.285 -2.728 18801 5753 1 12 . 1 1 11 11 ILE H H 11 8.978 8.978 8.901 0.077 18801 5754 1 12 . 1 1 12 12 LEU N N 12 128.789 128.789 128.490 0.299 18801 5755 1 12 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.468 -0.420 18801 5756 1 12 . 1 1 12 12 LEU C C 12 180.111 180.111 176.619 3.492 18801 5757 1 12 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.024 -3.495 18801 5758 1 12 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.308 -1.034 18801 5759 1 12 . 1 1 12 12 LEU H H 12 7.659 7.659 8.063 -0.404 18801 5760 1 12 . 1 1 13 13 VAL N N 13 117.652 117.652 117.919 -0.267 18801 5761 1 12 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.607 0.316 18801 5762 1 12 . 1 1 13 13 VAL C C 13 178.956 178.956 175.470 3.486 18801 5763 1 12 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.308 -3.952 18801 5764 1 12 . 1 1 13 13 VAL CB C 13 32.245 32.245 35.072 -2.827 18801 5765 1 12 . 1 1 13 13 VAL H H 13 8.916 8.916 7.811 1.105 18801 5766 1 12 . 1 1 14 14 SER N N 14 115.236 115.236 113.781 1.455 18801 5767 1 12 . 1 1 14 14 SER HA H 14 4.591 4.591 4.669 -0.078 18801 5768 1 12 . 1 1 14 14 SER C C 14 179.440 179.440 174.090 5.350 18801 5769 1 12 . 1 1 14 14 SER CA C 14 58.302 58.302 58.697 -0.395 18801 5770 1 12 . 1 1 14 14 SER CB C 14 61.585 61.585 63.334 -1.749 18801 5771 1 12 . 1 1 14 14 SER H H 14 8.799 8.799 8.664 0.135 18801 5772 1 12 . 1 1 15 15 LYS N N 15 117.100 117.100 121.220 -4.120 18801 5773 1 12 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.846 -0.033 18801 5774 1 12 . 1 1 15 15 LYS C C 15 178.183 178.183 176.203 1.980 18801 5775 1 12 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.487 -3.689 18801 5776 1 12 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.633 -2.676 18801 5777 1 12 . 1 1 15 15 LYS H H 15 7.749 7.749 7.579 0.170 18801 5778 1 12 . 1 1 16 16 GLN N N 16 126.339 126.339 122.151 4.188 18801 5779 1 12 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.358 -0.813 18801 5780 1 12 . 1 1 16 16 GLN C C 16 176.604 176.604 177.663 -1.059 18801 5781 1 12 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.250 -1.811 18801 5782 1 12 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.362 -3.598 18801 5783 1 12 . 1 1 16 16 GLN H H 16 8.810 8.810 8.917 -0.107 18801 5784 1 12 . 1 1 17 17 SER N N 17 112.691 112.691 113.230 -0.539 18801 5785 1 12 . 1 1 17 17 SER HA H 17 3.841 3.841 4.211 -0.370 18801 5786 1 12 . 1 1 17 17 SER C C 17 176.880 176.880 175.211 1.669 18801 5787 1 12 . 1 1 17 17 SER CA C 17 58.169 58.169 60.154 -1.985 18801 5788 1 12 . 1 1 17 17 SER CB C 17 58.144 58.144 62.725 -4.581 18801 5789 1 12 . 1 1 17 17 SER H H 17 8.637 8.637 8.246 0.391 18801 5790 1 12 . 1 1 18 18 GLU N N 18 122.640 122.640 118.981 3.659 18801 5791 1 12 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.274 -0.230 18801 5792 1 12 . 1 1 18 18 GLU C C 18 176.035 176.035 177.319 -1.284 18801 5793 1 12 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.277 -3.226 18801 5794 1 12 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.014 -3.111 18801 5795 1 12 . 1 1 18 18 GLU H H 18 6.560 6.560 7.456 -0.896 18801 5796 1 12 . 1 1 19 19 ALA N N 19 122.963 122.963 120.397 2.566 18801 5797 1 12 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.237 -0.432 18801 5798 1 12 . 1 1 19 19 ALA C C 19 175.728 175.728 179.381 -3.653 18801 5799 1 12 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.437 -2.487 18801 5800 1 12 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.134 -4.644 18801 5801 1 12 . 1 1 19 19 ALA H H 19 7.435 7.435 7.636 -0.201 18801 5802 1 12 . 1 1 20 20 LEU N N 20 117.683 117.683 118.946 -1.263 18801 5803 1 12 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.226 -0.325 18801 5804 1 12 . 1 1 20 20 LEU C C 20 174.983 174.983 177.569 -2.586 18801 5805 1 12 . 1 1 20 20 LEU CA C 20 55.009 55.009 55.554 -0.546 18801 5806 1 12 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.162 -3.321 18801 5807 1 12 . 1 1 20 20 LEU H H 20 8.204 8.204 7.852 0.352 18801 5808 1 12 . 1 1 21 21 ALA N N 21 122.191 122.191 120.395 1.796 18801 5809 1 12 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.344 -0.200 18801 5810 1 12 . 1 1 21 21 ALA C C 21 173.510 173.510 178.142 -4.632 18801 5811 1 12 . 1 1 21 21 ALA CA C 21 52.086 52.086 53.788 -1.702 18801 5812 1 12 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.459 -3.597 18801 5813 1 12 . 1 1 21 21 ALA H H 21 7.432 7.432 8.067 -0.635 18801 5814 1 12 . 1 1 22 22 ILE N N 22 120.079 120.079 118.872 1.207 18801 5815 1 12 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.756 -0.353 18801 5816 1 12 . 1 1 22 22 ILE C C 22 177.128 177.128 177.105 0.023 18801 5817 1 12 . 1 1 22 22 ILE CA C 22 62.278 62.278 64.487 -2.208 18801 5818 1 12 . 1 1 22 22 ILE CB C 22 34.307 34.307 38.112 -3.805 18801 5819 1 12 . 1 1 22 22 ILE H H 22 7.649 7.649 7.326 0.323 18801 5820 1 12 . 1 1 23 23 MET N N 23 118.682 118.682 115.622 3.060 18801 5821 1 12 . 1 1 23 23 MET HA H 23 4.260 4.260 4.562 -0.302 18801 5822 1 12 . 1 1 23 23 MET C C 23 175.086 175.086 176.114 -1.028 18801 5823 1 12 . 1 1 23 23 MET CA C 23 54.737 54.737 57.535 -2.798 18801 5824 1 12 . 1 1 23 23 MET CB C 23 27.240 27.240 32.641 -5.401 18801 5825 1 12 . 1 1 23 23 MET H H 23 8.008 8.008 7.741 0.267 18801 5826 1 12 . 1 1 24 24 GLU N N 24 118.261 118.261 119.630 -1.369 18801 5827 1 12 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.365 -0.360 18801 5828 1 12 . 1 1 24 24 GLU C C 24 175.157 175.157 177.615 -2.458 18801 5829 1 12 . 1 1 24 24 GLU CA C 24 56.463 56.463 56.832 -0.369 18801 5830 1 12 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.718 -4.466 18801 5831 1 12 . 1 1 24 24 GLU H H 24 7.527 7.527 7.467 0.060 18801 5832 1 12 . 1 1 25 25 LYS N N 25 121.138 121.138 119.398 1.740 18801 5833 1 12 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.175 -0.166 18801 5834 1 12 . 1 1 25 25 LYS C C 25 174.603 174.603 178.798 -4.195 18801 5835 1 12 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.063 -2.202 18801 5836 1 12 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.965 -3.155 18801 5837 1 12 . 1 1 25 25 LYS H H 25 7.645 7.645 8.073 -0.428 18801 5838 1 12 . 1 1 26 26 LEU N N 26 121.410 121.410 119.196 2.214 18801 5839 1 12 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.114 0.067 18801 5840 1 12 . 1 1 26 26 LEU C C 26 172.921 172.921 179.166 -6.245 18801 5841 1 12 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.283 -2.376 18801 5842 1 12 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.464 -2.959 18801 5843 1 12 . 1 1 26 26 LEU H H 26 8.617 8.617 7.732 0.885 18801 5844 1 12 . 1 1 27 27 LYS N N 27 121.975 121.975 118.024 3.951 18801 5845 1 12 . 1 1 27 27 LYS HA H 27 4.023 4.023 3.957 0.066 18801 5846 1 12 . 1 1 27 27 LYS C C 27 176.493 176.493 177.661 -1.168 18801 5847 1 12 . 1 1 27 27 LYS CA C 27 56.612 56.612 59.040 -2.428 18801 5848 1 12 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.859 -2.601 18801 5849 1 12 . 1 1 27 27 LYS H H 27 8.239 8.239 7.827 0.412 18801 5850 1 12 . 1 1 28 28 SER N N 28 113.123 113.123 113.025 0.098 18801 5851 1 12 . 1 1 28 28 SER HA H 28 4.472 4.472 4.392 0.080 18801 5852 1 12 . 1 1 28 28 SER C C 28 180.378 180.378 174.794 5.584 18801 5853 1 12 . 1 1 28 28 SER CA C 28 56.232 56.232 59.123 -2.891 18801 5854 1 12 . 1 1 28 28 SER CB C 28 60.798 60.798 64.272 -3.474 18801 5855 1 12 . 1 1 28 28 SER H H 28 7.620 7.620 7.933 -0.313 18801 5856 1 12 . 1 1 29 29 GLY N N 29 107.497 107.497 108.656 -1.159 18801 5857 1 12 . 1 1 29 29 GLY C C 29 179.552 179.552 173.670 5.882 18801 5858 1 12 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.731 -2.683 18801 5859 1 12 . 1 1 29 29 GLY H H 29 7.667 7.667 7.729 -0.062 18801 5860 1 12 . 1 1 30 30 GLU N N 30 121.320 121.320 119.456 1.864 18801 5861 1 12 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.560 -0.337 18801 5862 1 12 . 1 1 30 30 GLU C C 30 178.900 178.900 175.270 3.630 18801 5863 1 12 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.984 -0.783 18801 5864 1 12 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.723 -4.642 18801 5865 1 12 . 1 1 30 30 GLU H H 30 7.690 7.690 7.778 -0.088 18801 5866 1 12 . 1 1 31 31 LYS N N 31 122.239 122.239 120.474 1.765 18801 5867 1 12 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.657 -0.426 18801 5868 1 12 . 1 1 31 31 LYS C C 31 177.152 177.152 176.391 0.761 18801 5869 1 12 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.427 -1.093 18801 5870 1 12 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.805 -3.669 18801 5871 1 12 . 1 1 31 31 LYS H H 31 8.793 8.793 8.304 0.489 18801 5872 1 12 . 1 1 32 32 PHE N N 32 126.167 126.167 125.871 0.296 18801 5873 1 12 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.219 -0.584 18801 5874 1 12 . 1 1 32 32 PHE C C 32 177.437 177.437 177.524 -0.087 18801 5875 1 12 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.166 -2.084 18801 5876 1 12 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.478 -1.952 18801 5877 1 12 . 1 1 32 32 PHE H H 32 9.002 9.002 9.169 -0.167 18801 5878 1 12 . 1 1 33 33 GLY N N 33 103.648 103.648 106.899 -3.251 18801 5879 1 12 . 1 1 33 33 GLY C C 33 179.280 179.280 175.875 3.405 18801 5880 1 12 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.920 -2.761 18801 5881 1 12 . 1 1 33 33 GLY H H 33 9.168 9.168 8.801 0.367 18801 5882 1 12 . 1 1 34 34 LYS N N 34 120.972 120.972 120.700 0.272 18801 5883 1 12 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.098 -0.128 18801 5884 1 12 . 1 1 34 34 LYS C C 34 176.326 176.326 177.554 -1.228 18801 5885 1 12 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.641 -2.399 18801 5886 1 12 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.167 -1.832 18801 5887 1 12 . 1 1 34 34 LYS H H 34 6.642 6.642 7.546 -0.904 18801 5888 1 12 . 1 1 35 35 LEU N N 35 118.154 118.154 116.286 1.868 18801 5889 1 12 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.450 -0.547 18801 5890 1 12 . 1 1 35 35 LEU C C 35 175.872 175.872 177.709 -1.837 18801 5891 1 12 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.613 -1.121 18801 5892 1 12 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.565 -3.795 18801 5893 1 12 . 1 1 35 35 LEU H H 35 7.425 7.425 7.664 -0.239 18801 5894 1 12 . 1 1 36 36 ALA N N 36 120.438 120.438 122.903 -2.465 18801 5895 1 12 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.058 -0.368 18801 5896 1 12 . 1 1 36 36 ALA C C 36 176.117 176.117 178.585 -2.468 18801 5897 1 12 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.865 -2.291 18801 5898 1 12 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.477 -3.745 18801 5899 1 12 . 1 1 36 36 ALA H H 36 8.229 8.229 7.889 0.340 18801 5900 1 12 . 1 1 37 37 LYS N N 37 116.463 116.463 113.940 2.523 18801 5901 1 12 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.540 -0.493 18801 5902 1 12 . 1 1 37 37 LYS C C 37 175.232 175.232 176.868 -1.636 18801 5903 1 12 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.584 -1.166 18801 5904 1 12 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.418 -2.461 18801 5905 1 12 . 1 1 37 37 LYS H H 37 7.568 7.568 7.990 -0.422 18801 5906 1 12 . 1 1 38 38 GLU N N 38 115.319 115.319 117.715 -2.396 18801 5907 1 12 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.409 -0.375 18801 5908 1 12 . 1 1 38 38 GLU C C 38 176.423 176.423 177.121 -0.698 18801 5909 1 12 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.735 -0.966 18801 5910 1 12 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.467 -3.178 18801 5911 1 12 . 1 1 38 38 GLU H H 38 7.766 7.766 7.391 0.375 18801 5912 1 12 . 1 1 39 39 LEU N N 39 114.689 114.689 119.812 -5.123 18801 5913 1 12 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.065 0.430 18801 5914 1 12 . 1 1 39 39 LEU C C 39 177.452 177.452 178.037 -0.585 18801 5915 1 12 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.952 -4.907 18801 5916 1 12 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.320 -0.500 18801 5917 1 12 . 1 1 39 39 LEU H H 39 8.214 8.214 8.016 0.198 18801 5918 1 12 . 1 1 40 40 SER N N 40 110.112 110.112 112.819 -2.707 18801 5919 1 12 . 1 1 40 40 SER HA H 40 4.617 4.617 4.386 0.231 18801 5920 1 12 . 1 1 40 40 SER C C 40 177.179 177.179 175.685 1.494 18801 5921 1 12 . 1 1 40 40 SER CA C 40 54.102 54.102 59.398 -5.296 18801 5922 1 12 . 1 1 40 40 SER CB C 40 62.559 62.559 63.123 -0.564 18801 5923 1 12 . 1 1 40 40 SER H H 40 7.848 7.848 7.566 0.282 18801 5924 1 12 . 1 1 41 41 ILE N N 41 119.941 119.941 120.944 -1.003 18801 5925 1 12 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.082 0.288 18801 5926 1 12 . 1 1 41 41 ILE C C 41 178.010 178.010 175.932 2.078 18801 5927 1 12 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.501 -2.623 18801 5928 1 12 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.335 -3.990 18801 5929 1 12 . 1 1 41 41 ILE H H 41 9.126 9.126 8.065 1.061 18801 5930 1 12 . 1 1 42 42 ASP N N 42 120.547 120.547 121.392 -0.845 18801 5931 1 12 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.510 0.323 18801 5932 1 12 . 1 1 42 42 ASP C C 42 179.215 179.215 177.051 2.164 18801 5933 1 12 . 1 1 42 42 ASP CA C 42 49.318 49.318 53.898 -4.580 18801 5934 1 12 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.239 -4.023 18801 5935 1 12 . 1 1 42 42 ASP H H 42 7.476 7.476 7.891 -0.415 18801 5936 1 12 . 1 1 43 43 SER N N 43 122.805 122.805 123.283 -0.478 18801 5937 1 12 . 1 1 43 43 SER HA H 43 4.115 4.115 4.136 -0.021 18801 5938 1 12 . 1 1 43 43 SER C C 43 178.349 178.349 175.737 2.612 18801 5939 1 12 . 1 1 43 43 SER CA C 43 58.425 58.425 60.577 -2.152 18801 5940 1 12 . 1 1 43 43 SER CB C 43 59.904 59.904 63.103 -3.199 18801 5941 1 12 . 1 1 43 43 SER H H 43 8.215 8.215 8.414 -0.199 18801 5942 1 12 . 1 1 44 44 GLY N N 44 107.974 107.974 106.372 1.602 18801 5943 1 12 . 1 1 44 44 GLY C C 44 179.677 179.677 173.401 6.276 18801 5944 1 12 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.593 -0.782 18801 5945 1 12 . 1 1 44 44 GLY H H 44 8.384 8.384 8.104 0.280 18801 5946 1 12 . 1 1 45 45 SER N N 45 110.539 110.539 115.229 -4.690 18801 5947 1 12 . 1 1 45 45 SER HA H 45 4.493 4.493 4.451 0.042 18801 5948 1 12 . 1 1 45 45 SER C C 45 176.530 176.530 174.512 2.018 18801 5949 1 12 . 1 1 45 45 SER CA C 45 56.718 56.718 58.757 -2.038 18801 5950 1 12 . 1 1 45 45 SER CB C 45 62.291 62.291 63.596 -1.305 18801 5951 1 12 . 1 1 45 45 SER H H 45 7.177 7.177 7.517 -0.340 18801 5952 1 12 . 1 1 46 46 ALA N N 46 132.579 132.579 125.834 6.745 18801 5953 1 12 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.521 -0.783 18801 5954 1 12 . 1 1 46 46 ALA C C 46 175.404 175.404 178.665 -3.261 18801 5955 1 12 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.650 -0.463 18801 5956 1 12 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.685 -2.748 18801 5957 1 12 . 1 1 46 46 ALA H H 46 8.726 8.726 8.111 0.615 18801 5958 1 12 . 1 1 47 47 LYS N N 47 111.990 111.990 116.866 -4.876 18801 5959 1 12 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.236 -0.129 18801 5960 1 12 . 1 1 47 47 LYS C C 47 177.450 177.450 176.800 0.650 18801 5961 1 12 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.627 -2.518 18801 5962 1 12 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.752 -3.903 18801 5963 1 12 . 1 1 47 47 LYS H H 47 7.668 7.668 8.220 -0.552 18801 5964 1 12 . 1 1 48 48 LYS N N 48 118.900 118.900 116.957 1.943 18801 5965 1 12 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.534 0.069 18801 5966 1 12 . 1 1 48 48 LYS C C 48 177.786 177.786 175.672 2.114 18801 5967 1 12 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.921 -3.407 18801 5968 1 12 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.904 -3.446 18801 5969 1 12 . 1 1 48 48 LYS H H 48 7.382 7.382 7.527 -0.145 18801 5970 1 12 . 1 1 49 49 ASN N N 49 115.995 115.995 117.729 -1.734 18801 5971 1 12 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.314 -0.056 18801 5972 1 12 . 1 1 49 49 ASN C C 49 180.354 180.354 175.822 4.532 18801 5973 1 12 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.615 -2.201 18801 5974 1 12 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.474 -4.152 18801 5975 1 12 . 1 1 49 49 ASN H H 49 8.021 8.021 8.234 -0.213 18801 5976 1 12 . 1 1 50 50 GLY N N 50 104.621 104.621 102.168 2.453 18801 5977 1 12 . 1 1 50 50 GLY C C 50 180.665 180.665 173.495 7.170 18801 5978 1 12 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.837 -3.304 18801 5979 1 12 . 1 1 50 50 GLY H H 50 8.512 8.512 8.791 -0.279 18801 5980 1 12 . 1 1 51 51 ASN N N 51 118.054 118.054 119.261 -1.207 18801 5981 1 12 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.640 0.159 18801 5982 1 12 . 1 1 51 51 ASN C C 51 179.848 179.848 175.925 3.923 18801 5983 1 12 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.664 0.429 18801 5984 1 12 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.504 -2.707 18801 5985 1 12 . 1 1 51 51 ASN H H 51 7.146 7.146 8.101 -0.955 18801 5986 1 12 . 1 1 52 52 LEU N N 52 126.673 126.673 119.347 7.326 18801 5987 1 12 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.273 0.047 18801 5988 1 12 . 1 1 52 52 LEU C C 52 176.682 176.682 177.677 -0.995 18801 5989 1 12 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.235 -3.794 18801 5990 1 12 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.633 -1.171 18801 5991 1 12 . 1 1 52 52 LEU H H 52 8.607 8.607 7.777 0.830 18801 5992 1 12 . 1 1 53 53 GLY N N 53 108.525 108.525 106.821 1.704 18801 5993 1 12 . 1 1 53 53 GLY C C 53 182.708 182.708 173.740 8.968 18801 5994 1 12 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.236 -3.634 18801 5995 1 12 . 1 1 53 53 GLY H H 53 8.121 8.121 7.454 0.667 18801 5996 1 12 . 1 1 54 54 TYR N N 54 114.992 114.992 123.384 -8.392 18801 5997 1 12 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.171 0.011 18801 5998 1 12 . 1 1 54 54 TYR C C 54 176.195 176.195 176.200 -0.005 18801 5999 1 12 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.828 -2.801 18801 6000 1 12 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.577 -2.182 18801 6001 1 12 . 1 1 54 54 TYR H H 54 8.187 8.187 8.436 -0.249 18801 6002 1 12 . 1 1 55 55 PHE N N 55 118.041 118.041 121.681 -3.640 18801 6003 1 12 . 1 1 55 55 PHE HA H 55 5.103 5.103 4.960 0.143 18801 6004 1 12 . 1 1 55 55 PHE C C 55 181.875 181.875 173.268 8.607 18801 6005 1 12 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.110 -3.185 18801 6006 1 12 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.226 -3.059 18801 6007 1 12 . 1 1 55 55 PHE H H 55 9.093 9.093 8.650 0.443 18801 6008 1 12 . 1 1 56 56 THR N N 56 109.577 109.577 109.689 -0.112 18801 6009 1 12 . 1 1 56 56 THR HA H 56 5.267 5.267 3.890 1.377 18801 6010 1 12 . 1 1 56 56 THR C C 56 178.403 178.403 173.525 4.878 18801 6011 1 12 . 1 1 56 56 THR CA C 56 56.522 56.522 60.306 -3.784 18801 6012 1 12 . 1 1 56 56 THR CB C 56 69.673 69.673 71.707 -2.034 18801 6013 1 12 . 1 1 56 56 THR H H 56 7.949 7.949 7.840 0.109 18801 6014 1 12 . 1 1 57 57 LYS N N 57 121.639 121.639 122.157 -0.518 18801 6015 1 12 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.142 -0.147 18801 6016 1 12 . 1 1 57 57 LYS C C 57 176.706 176.706 176.827 -0.121 18801 6017 1 12 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.749 -2.054 18801 6018 1 12 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.369 -1.986 18801 6019 1 12 . 1 1 57 57 LYS H H 57 8.703 8.703 8.521 0.182 18801 6020 1 12 . 1 1 58 58 GLY N N 58 114.416 114.416 112.011 2.405 18801 6021 1 12 . 1 1 58 58 GLY C C 58 180.079 180.079 174.846 5.233 18801 6022 1 12 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.111 -2.752 18801 6023 1 12 . 1 1 58 58 GLY H H 58 10.495 10.495 8.539 1.956 18801 6024 1 12 . 1 1 59 59 MET N N 59 118.231 118.231 117.574 0.657 18801 6025 1 12 . 1 1 59 59 MET HA H 59 4.366 4.366 4.617 -0.251 18801 6026 1 12 . 1 1 59 59 MET C C 59 178.798 178.798 175.513 3.285 18801 6027 1 12 . 1 1 59 59 MET CA C 59 55.129 55.129 55.523 -0.394 18801 6028 1 12 . 1 1 59 59 MET CB C 59 32.196 32.196 33.295 -1.099 18801 6029 1 12 . 1 1 59 59 MET H H 59 7.681 7.681 8.088 -0.407 18801 6030 1 12 . 1 1 60 60 MET N N 60 118.667 118.667 117.666 1.001 18801 6031 1 12 . 1 1 60 60 MET HA H 60 4.629 4.629 4.804 -0.175 18801 6032 1 12 . 1 1 60 60 MET C C 60 178.834 178.834 175.035 3.799 18801 6033 1 12 . 1 1 60 60 MET CA C 60 49.108 49.108 53.856 -4.748 18801 6034 1 12 . 1 1 60 60 MET CB C 60 30.952 30.952 35.576 -4.624 18801 6035 1 12 . 1 1 60 60 MET H H 60 8.905 8.905 7.649 1.256 18801 6036 1 12 . 1 1 61 61 VAL N N 61 114.198 114.198 117.319 -3.121 18801 6037 1 12 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.503 -0.347 18801 6038 1 12 . 1 1 61 61 VAL C C 61 176.731 176.731 176.344 0.387 18801 6039 1 12 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.752 -0.387 18801 6040 1 12 . 1 1 61 61 VAL CB C 61 29.681 29.681 34.218 -4.537 18801 6041 1 12 . 1 1 61 61 VAL H H 61 8.062 8.062 7.999 0.063 18801 6042 1 12 . 1 1 62 62 LYS N N 62 124.862 124.862 123.064 1.798 18801 6043 1 12 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.195 -0.046 18801 6044 1 12 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.171 -1.925 18801 6045 1 12 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.944 -3.794 18801 6046 1 12 . 1 1 62 62 LYS H H 62 8.736 8.736 8.895 -0.159 18801 6047 1 12 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.371 0.027 18801 6048 1 12 . 1 1 63 63 PRO C C 63 174.841 174.841 175.486 -0.645 18801 6049 1 12 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.526 -0.598 18801 6050 1 12 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.822 -1.595 18801 6051 1 12 . 1 1 64 64 PHE N N 64 115.340 115.340 118.222 -2.882 18801 6052 1 12 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.510 -0.876 18801 6053 1 12 . 1 1 64 64 PHE C C 64 178.782 178.782 175.159 3.623 18801 6054 1 12 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.946 -1.253 18801 6055 1 12 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.431 -3.157 18801 6056 1 12 . 1 1 64 64 PHE H H 64 6.870 6.870 8.049 -1.179 18801 6057 1 12 . 1 1 65 65 GLU N N 65 120.356 120.356 121.967 -1.611 18801 6058 1 12 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.218 -0.266 18801 6059 1 12 . 1 1 65 65 GLU C C 65 177.209 177.209 178.219 -1.010 18801 6060 1 12 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.563 -2.780 18801 6061 1 12 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.965 -1.876 18801 6062 1 12 . 1 1 65 65 GLU H H 65 8.429 8.429 8.691 -0.262 18801 6063 1 12 . 1 1 66 66 ASP N N 66 117.560 117.560 119.568 -2.008 18801 6064 1 12 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.251 0.052 18801 6065 1 12 . 1 1 66 66 ASP C C 66 176.337 176.337 175.964 0.373 18801 6066 1 12 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.888 -2.861 18801 6067 1 12 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.840 -3.318 18801 6068 1 12 . 1 1 66 66 ASP H H 66 8.925 8.925 7.803 1.122 18801 6069 1 12 . 1 1 67 67 ALA N N 67 117.959 117.959 119.007 -1.048 18801 6070 1 12 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.331 -0.206 18801 6071 1 12 . 1 1 67 67 ALA C C 67 174.155 174.155 176.033 -1.878 18801 6072 1 12 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.116 -0.009 18801 6073 1 12 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.145 -0.923 18801 6074 1 12 . 1 1 67 67 ALA H H 67 6.805 6.805 7.126 -0.321 18801 6075 1 12 . 1 1 68 68 ALA N N 68 120.884 120.884 121.059 -0.175 18801 6076 1 12 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.144 -0.471 18801 6077 1 12 . 1 1 68 68 ALA C C 68 175.535 175.535 176.646 -1.111 18801 6078 1 12 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.749 -0.425 18801 6079 1 12 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.989 -5.034 18801 6080 1 12 . 1 1 68 68 ALA H H 68 8.836 8.836 7.239 1.597 18801 6081 1 12 . 1 1 69 69 PHE N N 69 110.173 110.173 111.870 -1.697 18801 6082 1 12 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.927 -0.925 18801 6083 1 12 . 1 1 69 69 PHE C C 69 178.751 178.751 175.765 2.986 18801 6084 1 12 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.921 1.559 18801 6085 1 12 . 1 1 69 69 PHE CB C 69 34.828 34.828 40.318 -5.489 18801 6086 1 12 . 1 1 69 69 PHE H H 69 8.087 8.087 7.025 1.062 18801 6087 1 12 . 1 1 70 70 LYS N N 70 116.963 116.963 120.553 -3.590 18801 6088 1 12 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.100 0.278 18801 6089 1 12 . 1 1 70 70 LYS C C 70 177.534 177.534 176.016 1.518 18801 6090 1 12 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.333 -3.731 18801 6091 1 12 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.825 -0.720 18801 6092 1 12 . 1 1 70 70 LYS H H 70 6.997 6.997 7.878 -0.881 18801 6093 1 12 . 1 1 71 71 LEU N N 71 118.952 118.952 119.353 -0.401 18801 6094 1 12 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.371 -0.177 18801 6095 1 12 . 1 1 71 71 LEU C C 71 176.388 176.388 176.794 -0.406 18801 6096 1 12 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.925 -1.955 18801 6097 1 12 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.738 -2.796 18801 6098 1 12 . 1 1 71 71 LEU H H 71 6.933 6.933 7.307 -0.374 18801 6099 1 12 . 1 1 72 72 GLN N N 72 121.738 121.738 117.846 3.892 18801 6100 1 12 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.500 -0.180 18801 6101 1 12 . 1 1 72 72 GLN C C 72 177.973 177.973 176.235 1.738 18801 6102 1 12 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.580 -3.358 18801 6103 1 12 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.779 -4.173 18801 6104 1 12 . 1 1 72 72 GLN H H 72 9.040 9.040 8.212 0.828 18801 6105 1 12 . 1 1 73 73 VAL N N 73 122.076 122.076 120.507 1.569 18801 6106 1 12 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.707 -0.876 18801 6107 1 12 . 1 1 73 73 VAL C C 73 177.702 177.702 175.968 1.734 18801 6108 1 12 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.003 0.395 18801 6109 1 12 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.944 -3.486 18801 6110 1 12 . 1 1 73 73 VAL H H 73 8.759 8.759 8.343 0.416 18801 6111 1 12 . 1 1 74 74 GLY N N 74 117.298 117.298 115.277 2.021 18801 6112 1 12 . 1 1 74 74 GLY C C 74 181.597 181.597 173.364 8.233 18801 6113 1 12 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.417 -2.558 18801 6114 1 12 . 1 1 74 74 GLY H H 74 8.626 8.626 8.251 0.375 18801 6115 1 12 . 1 1 75 75 GLU N N 75 122.135 122.135 120.559 1.576 18801 6116 1 12 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.563 -0.427 18801 6117 1 12 . 1 1 75 75 GLU C C 75 180.891 180.891 176.051 4.840 18801 6118 1 12 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.835 -1.472 18801 6119 1 12 . 1 1 75 75 GLU CB C 75 29.409 29.409 31.663 -2.253 18801 6120 1 12 . 1 1 75 75 GLU H H 75 7.877 7.877 7.875 0.002 18801 6121 1 12 . 1 1 76 76 VAL N N 76 121.950 121.950 126.851 -4.901 18801 6122 1 12 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.240 0.700 18801 6123 1 12 . 1 1 76 76 VAL C C 76 177.920 177.920 176.076 1.844 18801 6124 1 12 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.942 -6.011 18801 6125 1 12 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.525 -1.484 18801 6126 1 12 . 1 1 76 76 VAL H H 76 7.877 7.877 8.667 -0.790 18801 6127 1 12 . 1 1 77 77 SER N N 77 125.434 125.434 122.770 2.664 18801 6128 1 12 . 1 1 77 77 SER HA H 77 4.275 4.275 4.559 -0.284 18801 6129 1 12 . 1 1 77 77 SER C C 77 181.544 181.544 173.882 7.662 18801 6130 1 12 . 1 1 77 77 SER CA C 77 56.028 56.028 58.241 -2.213 18801 6131 1 12 . 1 1 77 77 SER CB C 77 62.729 62.729 64.703 -1.974 18801 6132 1 12 . 1 1 77 77 SER H H 77 9.611 9.611 9.147 0.464 18801 6133 1 12 . 1 1 78 78 GLU N N 78 114.680 114.680 117.680 -3.000 18801 6134 1 12 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.781 -0.170 18801 6135 1 12 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.775 -0.029 18801 6136 1 12 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.784 -4.280 18801 6137 1 12 . 1 1 78 78 GLU H H 78 7.589 7.589 8.551 -0.962 18801 6138 1 12 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.612 0.118 18801 6139 1 12 . 1 1 79 79 PRO C C 79 177.642 177.642 175.720 1.922 18801 6140 1 12 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.794 -2.316 18801 6141 1 12 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.694 -2.394 18801 6142 1 12 . 1 1 80 80 ILE N N 80 127.418 127.418 124.844 2.574 18801 6143 1 12 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.094 0.406 18801 6144 1 12 . 1 1 80 80 ILE C C 80 179.315 179.315 176.070 3.245 18801 6145 1 12 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.854 -5.146 18801 6146 1 12 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.299 -0.181 18801 6147 1 12 . 1 1 80 80 ILE H H 80 9.614 9.614 8.092 1.522 18801 6148 1 12 . 1 1 81 81 LYS N N 81 129.156 129.156 130.255 -1.099 18801 6149 1 12 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.242 0.034 18801 6150 1 12 . 1 1 81 81 LYS C C 81 179.186 179.186 175.400 3.786 18801 6151 1 12 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.007 -4.127 18801 6152 1 12 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.573 -1.768 18801 6153 1 12 . 1 1 81 81 LYS H H 81 8.637 8.637 8.850 -0.213 18801 6154 1 12 . 1 1 82 82 SER N N 82 125.346 125.346 121.387 3.959 18801 6155 1 12 . 1 1 82 82 SER HA H 82 4.836 4.836 4.782 0.054 18801 6156 1 12 . 1 1 82 82 SER C C 82 179.369 179.369 174.104 5.265 18801 6157 1 12 . 1 1 82 82 SER CA C 82 53.893 53.893 56.291 -2.398 18801 6158 1 12 . 1 1 82 82 SER CB C 82 64.579 64.579 65.163 -0.584 18801 6159 1 12 . 1 1 82 82 SER H H 82 9.532 9.532 8.366 1.166 18801 6160 1 12 . 1 1 83 83 GLU N N 83 118.760 118.760 119.206 -0.446 18801 6161 1 12 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.012 0.036 18801 6162 1 12 . 1 1 83 83 GLU C C 83 177.803 177.803 176.775 1.028 18801 6163 1 12 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.676 -3.318 18801 6164 1 12 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.165 -2.820 18801 6165 1 12 . 1 1 83 83 GLU H H 83 9.535 9.535 8.646 0.889 18801 6166 1 12 . 1 1 84 84 PHE N N 84 118.360 118.360 117.860 0.500 18801 6167 1 12 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.539 -0.011 18801 6168 1 12 . 1 1 84 84 PHE C C 84 179.367 179.367 175.826 3.541 18801 6169 1 12 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.717 -2.599 18801 6170 1 12 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.692 -2.656 18801 6171 1 12 . 1 1 84 84 PHE H H 84 8.803 8.803 8.013 0.790 18801 6172 1 12 . 1 1 85 85 GLY N N 85 107.365 107.365 105.705 1.660 18801 6173 1 12 . 1 1 85 85 GLY C C 85 184.805 184.805 173.063 11.742 18801 6174 1 12 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.325 -2.647 18801 6175 1 12 . 1 1 85 85 GLY H H 85 7.323 7.323 7.432 -0.109 18801 6176 1 12 . 1 1 86 86 TYR N N 86 119.303 119.303 122.878 -3.575 18801 6177 1 12 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.788 0.207 18801 6178 1 12 . 1 1 86 86 TYR C C 86 180.178 180.178 175.765 4.413 18801 6179 1 12 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.122 -3.746 18801 6180 1 12 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.382 0.061 18801 6181 1 12 . 1 1 86 86 TYR H H 86 8.990 8.990 7.752 1.238 18801 6182 1 12 . 1 1 87 87 HIS N N 87 120.588 120.588 123.982 -3.394 18801 6183 1 12 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.198 0.333 18801 6184 1 12 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.899 -4.426 18801 6185 1 12 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.641 -3.462 18801 6186 1 12 . 1 1 87 87 HIS H H 87 9.791 9.791 8.754 1.037 18801 6187 1 12 . 1 1 88 88 ILE N N 88 122.986 122.986 127.552 -4.566 18801 6188 1 12 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.491 -0.446 18801 6189 1 12 . 1 1 88 88 ILE C C 88 179.375 179.375 175.403 3.972 18801 6190 1 12 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.925 0.298 18801 6191 1 12 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.873 0.480 18801 6192 1 12 . 1 1 88 88 ILE H H 88 9.161 9.161 8.224 0.937 18801 6193 1 12 . 1 1 89 89 ILE N N 89 128.220 128.220 128.858 -0.638 18801 6194 1 12 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.516 0.265 18801 6195 1 12 . 1 1 89 89 ILE C C 89 181.174 181.174 175.062 6.112 18801 6196 1 12 . 1 1 89 89 ILE CA C 89 57.728 57.728 60.920 -3.192 18801 6197 1 12 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.834 -0.238 18801 6198 1 12 . 1 1 89 89 ILE H H 89 8.568 8.568 8.462 0.106 18801 6199 1 12 . 1 1 90 90 LYS N N 90 125.284 125.284 126.594 -1.310 18801 6200 1 12 . 1 1 90 90 LYS HA H 90 5.164 5.164 4.929 0.235 18801 6201 1 12 . 1 1 90 90 LYS C C 90 179.565 179.565 175.387 4.178 18801 6202 1 12 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.418 -3.047 18801 6203 1 12 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.754 -3.099 18801 6204 1 12 . 1 1 90 90 LYS H H 90 8.580 8.580 7.936 0.644 18801 6205 1 12 . 1 1 91 91 ARG N N 91 126.331 126.331 127.160 -0.829 18801 6206 1 12 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.466 0.551 18801 6207 1 12 . 1 1 91 91 ARG C C 91 179.376 179.376 175.506 3.870 18801 6208 1 12 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.565 -4.652 18801 6209 1 12 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.961 -3.399 18801 6210 1 12 . 1 1 91 91 ARG H H 91 7.641 7.641 8.273 -0.632 18801 6211 1 12 . 1 1 92 92 PHE N N 92 127.260 127.260 125.118 2.142 18801 6212 1 12 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.645 -0.139 18801 6213 1 12 . 1 1 92 92 PHE C C 92 179.492 179.492 176.482 3.010 18801 6214 1 12 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.348 -2.110 18801 6215 1 12 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.762 -1.156 18801 6216 1 12 . 1 1 92 92 PHE H H 92 9.044 9.044 8.071 0.973 18801 6217 1 13 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.534 -0.065 18801 6218 1 13 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.760 -2.511 18801 6219 1 13 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.430 -2.894 18801 6220 1 13 . 1 1 3 3 SER N N 3 116.356 116.356 118.264 -1.908 18801 6221 1 13 . 1 1 3 3 SER HA H 3 4.457 4.457 4.603 -0.146 18801 6222 1 13 . 1 1 3 3 SER CA C 3 55.255 55.255 57.920 -2.665 18801 6223 1 13 . 1 1 3 3 SER CB C 3 61.066 61.066 65.263 -4.197 18801 6224 1 13 . 1 1 3 3 SER H H 3 8.502 8.502 8.453 0.049 18801 6225 1 13 . 1 1 4 4 ASN N N 4 120.863 120.863 122.367 -1.504 18801 6226 1 13 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.711 -0.015 18801 6227 1 13 . 1 1 4 4 ASN C C 4 180.499 180.499 174.227 6.272 18801 6228 1 13 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.642 -2.906 18801 6229 1 13 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.397 -3.596 18801 6230 1 13 . 1 1 4 4 ASN H H 4 8.463 8.463 8.911 -0.448 18801 6231 1 13 . 1 1 5 5 LYS N N 5 119.444 119.444 117.824 1.620 18801 6232 1 13 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.153 -0.057 18801 6233 1 13 . 1 1 5 5 LYS C C 5 179.306 179.306 174.939 4.367 18801 6234 1 13 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.508 -2.559 18801 6235 1 13 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.564 -2.923 18801 6236 1 13 . 1 1 5 5 LYS H H 5 7.965 7.965 7.417 0.548 18801 6237 1 13 . 1 1 6 6 ILE N N 6 115.941 115.941 112.943 2.998 18801 6238 1 13 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.767 0.794 18801 6239 1 13 . 1 1 6 6 ILE C C 6 183.130 183.130 174.010 9.120 18801 6240 1 13 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.586 -1.868 18801 6241 1 13 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.168 -2.464 18801 6242 1 13 . 1 1 6 6 ILE H H 6 8.133 8.133 7.840 0.293 18801 6243 1 13 . 1 1 7 7 LYS N N 7 122.265 122.265 123.932 -1.667 18801 6244 1 13 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.641 0.114 18801 6245 1 13 . 1 1 7 7 LYS C C 7 177.364 177.364 176.925 0.439 18801 6246 1 13 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.572 -6.344 18801 6247 1 13 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.162 -1.976 18801 6248 1 13 . 1 1 7 7 LYS H H 7 8.155 8.155 8.304 -0.149 18801 6249 1 13 . 1 1 8 8 CYS N N 8 118.452 118.452 119.078 -0.626 18801 6250 1 13 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.252 0.503 18801 6251 1 13 . 1 1 8 8 CYS C C 8 181.803 181.803 172.538 9.265 18801 6252 1 13 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.271 -3.671 18801 6253 1 13 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.591 -0.006 18801 6254 1 13 . 1 1 8 8 CYS H H 8 7.243 7.243 8.434 -1.191 18801 6255 1 13 . 1 1 9 9 SER N N 9 115.559 115.559 114.965 0.594 18801 6256 1 13 . 1 1 9 9 SER HA H 9 5.777 5.777 5.409 0.368 18801 6257 1 13 . 1 1 9 9 SER C C 9 181.609 181.609 173.356 8.253 18801 6258 1 13 . 1 1 9 9 SER CA C 9 53.256 53.256 56.111 -2.855 18801 6259 1 13 . 1 1 9 9 SER CB C 9 64.431 64.431 65.834 -1.403 18801 6260 1 13 . 1 1 9 9 SER H H 9 9.148 9.148 8.655 0.493 18801 6261 1 13 . 1 1 10 10 HIS N N 10 119.227 119.227 112.193 7.034 18801 6262 1 13 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.426 1.065 18801 6263 1 13 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.965 -4.721 18801 6264 1 13 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.388 2.260 18801 6265 1 13 . 1 1 10 10 HIS H H 10 9.626 9.626 8.624 1.002 18801 6266 1 13 . 1 1 11 11 ILE N N 11 121.859 121.859 121.702 0.157 18801 6267 1 13 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.252 -0.844 18801 6268 1 13 . 1 1 11 11 ILE C C 11 182.235 182.235 174.116 8.119 18801 6269 1 13 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.208 -1.600 18801 6270 1 13 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.378 -2.821 18801 6271 1 13 . 1 1 11 11 ILE H H 11 8.978 8.978 8.924 0.054 18801 6272 1 13 . 1 1 12 12 LEU N N 12 128.789 128.789 128.469 0.320 18801 6273 1 13 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.465 -0.417 18801 6274 1 13 . 1 1 12 12 LEU C C 12 180.111 180.111 176.723 3.388 18801 6275 1 13 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.091 -3.562 18801 6276 1 13 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.964 -0.690 18801 6277 1 13 . 1 1 12 12 LEU H H 12 7.659 7.659 8.034 -0.375 18801 6278 1 13 . 1 1 13 13 VAL N N 13 117.652 117.652 120.726 -3.074 18801 6279 1 13 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.758 0.165 18801 6280 1 13 . 1 1 13 13 VAL C C 13 178.956 178.956 176.014 2.942 18801 6281 1 13 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.125 -3.769 18801 6282 1 13 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.349 -2.104 18801 6283 1 13 . 1 1 13 13 VAL H H 13 8.916 8.916 7.854 1.062 18801 6284 1 13 . 1 1 14 14 SER N N 14 115.236 115.236 114.076 1.160 18801 6285 1 13 . 1 1 14 14 SER HA H 14 4.591 4.591 4.624 -0.033 18801 6286 1 13 . 1 1 14 14 SER C C 14 179.440 179.440 173.658 5.782 18801 6287 1 13 . 1 1 14 14 SER CA C 14 58.302 58.302 59.116 -0.814 18801 6288 1 13 . 1 1 14 14 SER CB C 14 61.585 61.585 63.446 -1.861 18801 6289 1 13 . 1 1 14 14 SER H H 14 8.799 8.799 8.507 0.292 18801 6290 1 13 . 1 1 15 15 LYS N N 15 117.100 117.100 118.139 -1.039 18801 6291 1 13 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.859 -0.046 18801 6292 1 13 . 1 1 15 15 LYS C C 15 178.183 178.183 176.114 2.069 18801 6293 1 13 . 1 1 15 15 LYS CA C 15 51.798 51.798 54.965 -3.167 18801 6294 1 13 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.371 -1.415 18801 6295 1 13 . 1 1 15 15 LYS H H 15 7.749 7.749 7.797 -0.048 18801 6296 1 13 . 1 1 16 16 GLN N N 16 126.339 126.339 122.736 3.603 18801 6297 1 13 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.382 -0.837 18801 6298 1 13 . 1 1 16 16 GLN C C 16 176.604 176.604 177.833 -1.229 18801 6299 1 13 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.608 -2.169 18801 6300 1 13 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.570 -2.806 18801 6301 1 13 . 1 1 16 16 GLN H H 16 8.810 8.810 9.151 -0.341 18801 6302 1 13 . 1 1 17 17 SER N N 17 112.691 112.691 114.863 -2.172 18801 6303 1 13 . 1 1 17 17 SER HA H 17 3.841 3.841 4.122 -0.281 18801 6304 1 13 . 1 1 17 17 SER C C 17 176.880 176.880 175.386 1.494 18801 6305 1 13 . 1 1 17 17 SER CA C 17 58.169 58.169 60.660 -2.491 18801 6306 1 13 . 1 1 17 17 SER CB C 17 58.144 58.144 62.797 -4.653 18801 6307 1 13 . 1 1 17 17 SER H H 17 8.637 8.637 8.519 0.118 18801 6308 1 13 . 1 1 18 18 GLU N N 18 122.640 122.640 120.347 2.293 18801 6309 1 13 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.265 -0.221 18801 6310 1 13 . 1 1 18 18 GLU C C 18 176.035 176.035 177.338 -1.303 18801 6311 1 13 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.898 -2.847 18801 6312 1 13 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.049 -3.146 18801 6313 1 13 . 1 1 18 18 GLU H H 18 6.560 6.560 7.567 -1.007 18801 6314 1 13 . 1 1 19 19 ALA N N 19 122.963 122.963 121.984 0.979 18801 6315 1 13 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.095 -0.290 18801 6316 1 13 . 1 1 19 19 ALA C C 19 175.728 175.728 179.884 -4.156 18801 6317 1 13 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.030 -3.080 18801 6318 1 13 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.805 -4.315 18801 6319 1 13 . 1 1 19 19 ALA H H 19 7.435 7.435 7.628 -0.193 18801 6320 1 13 . 1 1 20 20 LEU N N 20 117.683 117.683 119.294 -1.611 18801 6321 1 13 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.063 -0.162 18801 6322 1 13 . 1 1 20 20 LEU C C 20 174.983 174.983 178.435 -3.452 18801 6323 1 13 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.709 -1.700 18801 6324 1 13 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.985 -3.144 18801 6325 1 13 . 1 1 20 20 LEU H H 20 8.204 8.204 8.442 -0.238 18801 6326 1 13 . 1 1 21 21 ALA N N 21 122.191 122.191 122.268 -0.077 18801 6327 1 13 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.087 0.057 18801 6328 1 13 . 1 1 21 21 ALA C C 21 173.510 173.510 179.014 -5.504 18801 6329 1 13 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.622 -2.536 18801 6330 1 13 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.745 -2.883 18801 6331 1 13 . 1 1 21 21 ALA H H 21 7.432 7.432 8.182 -0.750 18801 6332 1 13 . 1 1 22 22 ILE N N 22 120.079 120.079 118.163 1.916 18801 6333 1 13 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.831 -0.428 18801 6334 1 13 . 1 1 22 22 ILE C C 22 177.128 177.128 177.349 -0.221 18801 6335 1 13 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.051 -0.773 18801 6336 1 13 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.170 -2.863 18801 6337 1 13 . 1 1 22 22 ILE H H 22 7.649 7.649 7.521 0.128 18801 6338 1 13 . 1 1 23 23 MET N N 23 118.682 118.682 115.951 2.731 18801 6339 1 13 . 1 1 23 23 MET HA H 23 4.260 4.260 4.528 -0.268 18801 6340 1 13 . 1 1 23 23 MET C C 23 175.086 175.086 176.652 -1.566 18801 6341 1 13 . 1 1 23 23 MET CA C 23 54.737 54.737 57.656 -2.919 18801 6342 1 13 . 1 1 23 23 MET CB C 23 27.240 27.240 33.082 -5.842 18801 6343 1 13 . 1 1 23 23 MET H H 23 8.008 8.008 7.653 0.355 18801 6344 1 13 . 1 1 24 24 GLU N N 24 118.261 118.261 118.637 -0.376 18801 6345 1 13 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.228 -0.223 18801 6346 1 13 . 1 1 24 24 GLU C C 24 175.157 175.157 178.414 -3.257 18801 6347 1 13 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.996 -1.533 18801 6348 1 13 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.873 -3.623 18801 6349 1 13 . 1 1 24 24 GLU H H 24 7.527 7.527 7.675 -0.148 18801 6350 1 13 . 1 1 25 25 LYS N N 25 121.138 121.138 120.614 0.524 18801 6351 1 13 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.058 -0.049 18801 6352 1 13 . 1 1 25 25 LYS C C 25 174.603 174.603 179.159 -4.556 18801 6353 1 13 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.426 -2.565 18801 6354 1 13 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.485 -2.676 18801 6355 1 13 . 1 1 25 25 LYS H H 25 7.645 7.645 8.190 -0.545 18801 6356 1 13 . 1 1 26 26 LEU N N 26 121.410 121.410 118.707 2.703 18801 6357 1 13 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.135 0.046 18801 6358 1 13 . 1 1 26 26 LEU C C 26 172.921 172.921 179.345 -6.424 18801 6359 1 13 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.008 -2.100 18801 6360 1 13 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.508 -3.003 18801 6361 1 13 . 1 1 26 26 LEU H H 26 8.617 8.617 7.696 0.921 18801 6362 1 13 . 1 1 27 27 LYS N N 27 121.975 121.975 119.351 2.624 18801 6363 1 13 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.042 -0.019 18801 6364 1 13 . 1 1 27 27 LYS C C 27 176.493 176.493 177.561 -1.068 18801 6365 1 13 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.711 -2.099 18801 6366 1 13 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.961 -2.703 18801 6367 1 13 . 1 1 27 27 LYS H H 27 8.239 8.239 7.862 0.377 18801 6368 1 13 . 1 1 28 28 SER N N 28 113.123 113.123 111.934 1.189 18801 6369 1 13 . 1 1 28 28 SER HA H 28 4.472 4.472 4.429 0.043 18801 6370 1 13 . 1 1 28 28 SER C C 28 180.378 180.378 174.754 5.624 18801 6371 1 13 . 1 1 28 28 SER CA C 28 56.232 56.232 59.582 -3.350 18801 6372 1 13 . 1 1 28 28 SER CB C 28 60.798 60.798 64.400 -3.602 18801 6373 1 13 . 1 1 28 28 SER H H 28 7.620 7.620 7.744 -0.124 18801 6374 1 13 . 1 1 29 29 GLY N N 29 107.497 107.497 109.627 -2.130 18801 6375 1 13 . 1 1 29 29 GLY C C 29 179.552 179.552 173.134 6.418 18801 6376 1 13 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.827 -2.779 18801 6377 1 13 . 1 1 29 29 GLY H H 29 7.667 7.667 7.749 -0.082 18801 6378 1 13 . 1 1 30 30 GLU N N 30 121.320 121.320 119.176 2.144 18801 6379 1 13 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.639 -0.416 18801 6380 1 13 . 1 1 30 30 GLU C C 30 178.900 178.900 175.134 3.766 18801 6381 1 13 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.747 -0.545 18801 6382 1 13 . 1 1 30 30 GLU CB C 30 27.081 27.081 32.055 -4.974 18801 6383 1 13 . 1 1 30 30 GLU H H 30 7.690 7.690 7.792 -0.102 18801 6384 1 13 . 1 1 31 31 LYS N N 31 122.239 122.239 120.445 1.794 18801 6385 1 13 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.693 -0.462 18801 6386 1 13 . 1 1 31 31 LYS C C 31 177.152 177.152 176.378 0.774 18801 6387 1 13 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.423 -1.089 18801 6388 1 13 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.701 -3.565 18801 6389 1 13 . 1 1 31 31 LYS H H 31 8.793 8.793 8.349 0.444 18801 6390 1 13 . 1 1 32 32 PHE N N 32 126.167 126.167 125.738 0.429 18801 6391 1 13 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.261 -0.626 18801 6392 1 13 . 1 1 32 32 PHE C C 32 177.437 177.437 177.201 0.236 18801 6393 1 13 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.460 -1.378 18801 6394 1 13 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.303 -1.777 18801 6395 1 13 . 1 1 32 32 PHE H H 32 9.002 9.002 9.095 -0.093 18801 6396 1 13 . 1 1 33 33 GLY N N 33 103.648 103.648 106.511 -2.863 18801 6397 1 13 . 1 1 33 33 GLY C C 33 179.280 179.280 175.855 3.425 18801 6398 1 13 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.958 -2.799 18801 6399 1 13 . 1 1 33 33 GLY H H 33 9.168 9.168 8.716 0.452 18801 6400 1 13 . 1 1 34 34 LYS N N 34 120.972 120.972 119.709 1.263 18801 6401 1 13 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.131 -0.161 18801 6402 1 13 . 1 1 34 34 LYS C C 34 176.326 176.326 177.414 -1.088 18801 6403 1 13 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.563 -2.321 18801 6404 1 13 . 1 1 34 34 LYS CB C 34 30.335 30.335 31.889 -1.554 18801 6405 1 13 . 1 1 34 34 LYS H H 34 6.642 6.642 8.427 -1.785 18801 6406 1 13 . 1 1 35 35 LEU N N 35 118.154 118.154 116.035 2.119 18801 6407 1 13 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.479 -0.576 18801 6408 1 13 . 1 1 35 35 LEU C C 35 175.872 175.872 177.855 -1.983 18801 6409 1 13 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.482 -0.990 18801 6410 1 13 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.580 -3.810 18801 6411 1 13 . 1 1 35 35 LEU H H 35 7.425 7.425 7.465 -0.040 18801 6412 1 13 . 1 1 36 36 ALA N N 36 120.438 120.438 122.691 -2.253 18801 6413 1 13 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.015 -0.325 18801 6414 1 13 . 1 1 36 36 ALA C C 36 176.117 176.117 178.551 -2.434 18801 6415 1 13 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.950 -2.376 18801 6416 1 13 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.458 -3.727 18801 6417 1 13 . 1 1 36 36 ALA H H 36 8.229 8.229 7.931 0.298 18801 6418 1 13 . 1 1 37 37 LYS N N 37 116.463 116.463 115.123 1.340 18801 6419 1 13 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.496 -0.449 18801 6420 1 13 . 1 1 37 37 LYS C C 37 175.232 175.232 176.215 -0.983 18801 6421 1 13 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.258 -0.840 18801 6422 1 13 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.173 -2.216 18801 6423 1 13 . 1 1 37 37 LYS H H 37 7.568 7.568 7.914 -0.346 18801 6424 1 13 . 1 1 38 38 GLU N N 38 115.319 115.319 118.041 -2.722 18801 6425 1 13 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.422 -0.388 18801 6426 1 13 . 1 1 38 38 GLU C C 38 176.423 176.423 177.308 -0.885 18801 6427 1 13 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.658 -0.889 18801 6428 1 13 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.447 -3.158 18801 6429 1 13 . 1 1 38 38 GLU H H 38 7.766 7.766 7.470 0.296 18801 6430 1 13 . 1 1 39 39 LEU N N 39 114.689 114.689 120.103 -5.414 18801 6431 1 13 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.049 0.446 18801 6432 1 13 . 1 1 39 39 LEU C C 39 177.452 177.452 177.943 -0.491 18801 6433 1 13 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.989 -4.944 18801 6434 1 13 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.355 -0.535 18801 6435 1 13 . 1 1 39 39 LEU H H 39 8.214 8.214 8.014 0.200 18801 6436 1 13 . 1 1 40 40 SER N N 40 110.112 110.112 112.737 -2.625 18801 6437 1 13 . 1 1 40 40 SER HA H 40 4.617 4.617 4.379 0.238 18801 6438 1 13 . 1 1 40 40 SER C C 40 177.179 177.179 175.719 1.460 18801 6439 1 13 . 1 1 40 40 SER CA C 40 54.102 54.102 59.398 -5.296 18801 6440 1 13 . 1 1 40 40 SER CB C 40 62.559 62.559 63.163 -0.604 18801 6441 1 13 . 1 1 40 40 SER H H 40 7.848 7.848 7.531 0.317 18801 6442 1 13 . 1 1 41 41 ILE N N 41 119.941 119.941 121.187 -1.246 18801 6443 1 13 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.061 0.309 18801 6444 1 13 . 1 1 41 41 ILE C C 41 178.010 178.010 175.899 2.111 18801 6445 1 13 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.515 -2.637 18801 6446 1 13 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.386 -4.041 18801 6447 1 13 . 1 1 41 41 ILE H H 41 9.126 9.126 8.051 1.075 18801 6448 1 13 . 1 1 42 42 ASP N N 42 120.547 120.547 121.168 -0.621 18801 6449 1 13 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.471 0.362 18801 6450 1 13 . 1 1 42 42 ASP C C 42 179.215 179.215 177.262 1.953 18801 6451 1 13 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.183 -4.865 18801 6452 1 13 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.314 -4.098 18801 6453 1 13 . 1 1 42 42 ASP H H 42 7.476 7.476 7.843 -0.367 18801 6454 1 13 . 1 1 43 43 SER N N 43 122.805 122.805 122.945 -0.140 18801 6455 1 13 . 1 1 43 43 SER HA H 43 4.115 4.115 4.193 -0.078 18801 6456 1 13 . 1 1 43 43 SER C C 43 178.349 178.349 175.765 2.584 18801 6457 1 13 . 1 1 43 43 SER CA C 43 58.425 58.425 60.607 -2.182 18801 6458 1 13 . 1 1 43 43 SER CB C 43 59.904 59.904 63.111 -3.207 18801 6459 1 13 . 1 1 43 43 SER H H 43 8.215 8.215 8.480 -0.265 18801 6460 1 13 . 1 1 44 44 GLY N N 44 107.974 107.974 108.883 -0.909 18801 6461 1 13 . 1 1 44 44 GLY C C 44 179.677 179.677 173.568 6.109 18801 6462 1 13 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.575 -0.764 18801 6463 1 13 . 1 1 44 44 GLY H H 44 8.384 8.384 7.954 0.430 18801 6464 1 13 . 1 1 45 45 SER N N 45 110.539 110.539 115.220 -4.681 18801 6465 1 13 . 1 1 45 45 SER HA H 45 4.493 4.493 4.489 0.004 18801 6466 1 13 . 1 1 45 45 SER C C 45 176.530 176.530 174.745 1.785 18801 6467 1 13 . 1 1 45 45 SER CA C 45 56.718 56.718 58.909 -2.191 18801 6468 1 13 . 1 1 45 45 SER CB C 45 62.291 62.291 63.817 -1.526 18801 6469 1 13 . 1 1 45 45 SER H H 45 7.177 7.177 7.587 -0.410 18801 6470 1 13 . 1 1 46 46 ALA N N 46 132.579 132.579 125.956 6.623 18801 6471 1 13 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.473 -0.735 18801 6472 1 13 . 1 1 46 46 ALA C C 46 175.404 175.404 178.809 -3.405 18801 6473 1 13 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.702 -0.514 18801 6474 1 13 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.655 -2.718 18801 6475 1 13 . 1 1 46 46 ALA H H 46 8.726 8.726 7.987 0.739 18801 6476 1 13 . 1 1 47 47 LYS N N 47 111.990 111.990 117.739 -5.749 18801 6477 1 13 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.194 -0.087 18801 6478 1 13 . 1 1 47 47 LYS C C 47 177.450 177.450 177.154 0.296 18801 6479 1 13 . 1 1 47 47 LYS CA C 47 55.109 55.109 58.044 -2.935 18801 6480 1 13 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.842 -3.993 18801 6481 1 13 . 1 1 47 47 LYS H H 47 7.668 7.668 8.204 -0.536 18801 6482 1 13 . 1 1 48 48 LYS N N 48 118.900 118.900 116.652 2.248 18801 6483 1 13 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.545 0.058 18801 6484 1 13 . 1 1 48 48 LYS C C 48 177.786 177.786 175.705 2.081 18801 6485 1 13 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.899 -3.385 18801 6486 1 13 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.809 -3.351 18801 6487 1 13 . 1 1 48 48 LYS H H 48 7.382 7.382 7.601 -0.219 18801 6488 1 13 . 1 1 49 49 ASN N N 49 115.995 115.995 117.813 -1.818 18801 6489 1 13 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.307 -0.049 18801 6490 1 13 . 1 1 49 49 ASN C C 49 180.354 180.354 175.772 4.582 18801 6491 1 13 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.638 -2.224 18801 6492 1 13 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.421 -4.099 18801 6493 1 13 . 1 1 49 49 ASN H H 49 8.021 8.021 8.183 -0.162 18801 6494 1 13 . 1 1 50 50 GLY N N 50 104.621 104.621 103.227 1.394 18801 6495 1 13 . 1 1 50 50 GLY C C 50 180.665 180.665 173.500 7.165 18801 6496 1 13 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.846 -3.313 18801 6497 1 13 . 1 1 50 50 GLY H H 50 8.512 8.512 8.800 -0.288 18801 6498 1 13 . 1 1 51 51 ASN N N 51 118.054 118.054 119.116 -1.062 18801 6499 1 13 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.597 0.202 18801 6500 1 13 . 1 1 51 51 ASN C C 51 179.848 179.848 175.261 4.587 18801 6501 1 13 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.255 -0.162 18801 6502 1 13 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.192 -2.395 18801 6503 1 13 . 1 1 51 51 ASN H H 51 7.146 7.146 8.182 -1.036 18801 6504 1 13 . 1 1 52 52 LEU N N 52 126.673 126.673 118.936 7.737 18801 6505 1 13 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.238 0.082 18801 6506 1 13 . 1 1 52 52 LEU C C 52 176.682 176.682 177.542 -0.860 18801 6507 1 13 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.303 -3.862 18801 6508 1 13 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.716 -1.254 18801 6509 1 13 . 1 1 52 52 LEU H H 52 8.607 8.607 7.793 0.814 18801 6510 1 13 . 1 1 53 53 GLY N N 53 108.525 108.525 106.890 1.635 18801 6511 1 13 . 1 1 53 53 GLY C C 53 182.708 182.708 174.004 8.704 18801 6512 1 13 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.226 -3.624 18801 6513 1 13 . 1 1 53 53 GLY H H 53 8.121 8.121 7.419 0.702 18801 6514 1 13 . 1 1 54 54 TYR N N 54 114.992 114.992 122.526 -7.534 18801 6515 1 13 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.025 0.157 18801 6516 1 13 . 1 1 54 54 TYR C C 54 176.195 176.195 176.896 -0.701 18801 6517 1 13 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.462 -2.436 18801 6518 1 13 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.159 -1.764 18801 6519 1 13 . 1 1 54 54 TYR H H 54 8.187 8.187 8.344 -0.157 18801 6520 1 13 . 1 1 55 55 PHE N N 55 118.041 118.041 123.091 -5.050 18801 6521 1 13 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.120 -0.017 18801 6522 1 13 . 1 1 55 55 PHE C C 55 181.875 181.875 173.304 8.571 18801 6523 1 13 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.262 -3.337 18801 6524 1 13 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.095 -3.928 18801 6525 1 13 . 1 1 55 55 PHE H H 55 9.093 9.093 8.753 0.340 18801 6526 1 13 . 1 1 56 56 THR N N 56 109.577 109.577 107.795 1.782 18801 6527 1 13 . 1 1 56 56 THR HA H 56 5.267 5.267 4.016 1.251 18801 6528 1 13 . 1 1 56 56 THR C C 56 178.403 178.403 173.268 5.135 18801 6529 1 13 . 1 1 56 56 THR CA C 56 56.522 56.522 59.622 -3.100 18801 6530 1 13 . 1 1 56 56 THR CB C 56 69.673 69.673 71.085 -1.412 18801 6531 1 13 . 1 1 56 56 THR H H 56 7.949 7.949 7.809 0.140 18801 6532 1 13 . 1 1 57 57 LYS N N 57 121.639 121.639 120.914 0.725 18801 6533 1 13 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.394 -0.399 18801 6534 1 13 . 1 1 57 57 LYS C C 57 176.706 176.706 176.754 -0.048 18801 6535 1 13 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.020 -1.325 18801 6536 1 13 . 1 1 57 57 LYS CB C 57 29.384 29.384 32.098 -2.714 18801 6537 1 13 . 1 1 57 57 LYS H H 57 8.703 8.703 8.587 0.116 18801 6538 1 13 . 1 1 58 58 GLY N N 58 114.416 114.416 113.027 1.389 18801 6539 1 13 . 1 1 58 58 GLY C C 58 180.079 180.079 174.705 5.374 18801 6540 1 13 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.192 -2.833 18801 6541 1 13 . 1 1 58 58 GLY H H 58 10.495 10.495 9.147 1.348 18801 6542 1 13 . 1 1 59 59 MET N N 59 118.231 118.231 117.881 0.350 18801 6543 1 13 . 1 1 59 59 MET HA H 59 4.366 4.366 4.704 -0.338 18801 6544 1 13 . 1 1 59 59 MET C C 59 178.798 178.798 175.766 3.032 18801 6545 1 13 . 1 1 59 59 MET CA C 59 55.129 55.129 55.522 -0.393 18801 6546 1 13 . 1 1 59 59 MET CB C 59 32.196 32.196 33.583 -1.387 18801 6547 1 13 . 1 1 59 59 MET H H 59 7.681 7.681 8.224 -0.543 18801 6548 1 13 . 1 1 60 60 MET N N 60 118.667 118.667 117.926 0.741 18801 6549 1 13 . 1 1 60 60 MET HA H 60 4.629 4.629 4.836 -0.207 18801 6550 1 13 . 1 1 60 60 MET C C 60 178.834 178.834 174.846 3.988 18801 6551 1 13 . 1 1 60 60 MET CA C 60 49.108 49.108 53.951 -4.843 18801 6552 1 13 . 1 1 60 60 MET CB C 60 30.952 30.952 35.225 -4.273 18801 6553 1 13 . 1 1 60 60 MET H H 60 8.905 8.905 7.851 1.054 18801 6554 1 13 . 1 1 61 61 VAL N N 61 114.198 114.198 116.255 -2.057 18801 6555 1 13 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.579 -0.423 18801 6556 1 13 . 1 1 61 61 VAL C C 61 176.731 176.731 176.584 0.147 18801 6557 1 13 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.071 -0.706 18801 6558 1 13 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.967 -4.286 18801 6559 1 13 . 1 1 61 61 VAL H H 61 8.062 8.062 8.017 0.045 18801 6560 1 13 . 1 1 62 62 LYS N N 62 124.862 124.862 123.408 1.454 18801 6561 1 13 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.193 -0.044 18801 6562 1 13 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.239 -0.993 18801 6563 1 13 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.387 -3.237 18801 6564 1 13 . 1 1 62 62 LYS H H 62 8.736 8.736 8.851 -0.115 18801 6565 1 13 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.371 0.027 18801 6566 1 13 . 1 1 63 63 PRO C C 63 174.841 174.841 175.517 -0.676 18801 6567 1 13 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.318 -0.390 18801 6568 1 13 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.904 -1.677 18801 6569 1 13 . 1 1 64 64 PHE N N 64 115.340 115.340 118.197 -2.857 18801 6570 1 13 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.450 -0.816 18801 6571 1 13 . 1 1 64 64 PHE C C 64 178.782 178.782 175.105 3.677 18801 6572 1 13 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.873 -1.180 18801 6573 1 13 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.461 -3.187 18801 6574 1 13 . 1 1 64 64 PHE H H 64 6.870 6.870 7.996 -1.126 18801 6575 1 13 . 1 1 65 65 GLU N N 65 120.356 120.356 121.633 -1.277 18801 6576 1 13 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.017 -0.065 18801 6577 1 13 . 1 1 65 65 GLU C C 65 177.209 177.209 178.054 -0.845 18801 6578 1 13 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.180 -2.396 18801 6579 1 13 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.833 -1.744 18801 6580 1 13 . 1 1 65 65 GLU H H 65 8.429 8.429 8.646 -0.217 18801 6581 1 13 . 1 1 66 66 ASP N N 66 117.560 117.560 119.590 -2.030 18801 6582 1 13 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.257 0.046 18801 6583 1 13 . 1 1 66 66 ASP C C 66 176.337 176.337 175.829 0.508 18801 6584 1 13 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.612 -2.585 18801 6585 1 13 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.878 -3.356 18801 6586 1 13 . 1 1 66 66 ASP H H 66 8.925 8.925 7.734 1.191 18801 6587 1 13 . 1 1 67 67 ALA N N 67 117.959 117.959 118.810 -0.851 18801 6588 1 13 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.359 -0.234 18801 6589 1 13 . 1 1 67 67 ALA C C 67 174.155 174.155 176.006 -1.851 18801 6590 1 13 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.151 -0.044 18801 6591 1 13 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.460 -1.238 18801 6592 1 13 . 1 1 67 67 ALA H H 67 6.805 6.805 6.952 -0.147 18801 6593 1 13 . 1 1 68 68 ALA N N 68 120.884 120.884 120.730 0.154 18801 6594 1 13 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.060 -0.387 18801 6595 1 13 . 1 1 68 68 ALA C C 68 175.535 175.535 176.486 -0.951 18801 6596 1 13 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.379 -0.055 18801 6597 1 13 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.612 -4.657 18801 6598 1 13 . 1 1 68 68 ALA H H 68 8.836 8.836 6.877 1.959 18801 6599 1 13 . 1 1 69 69 PHE N N 69 110.173 110.173 112.146 -1.973 18801 6600 1 13 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.870 -0.868 18801 6601 1 13 . 1 1 69 69 PHE C C 69 178.751 178.751 175.688 3.063 18801 6602 1 13 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.885 2.595 18801 6603 1 13 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.669 -4.841 18801 6604 1 13 . 1 1 69 69 PHE H H 69 8.087 8.087 6.733 1.354 18801 6605 1 13 . 1 1 70 70 LYS N N 70 116.963 116.963 120.207 -3.244 18801 6606 1 13 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.476 -0.098 18801 6607 1 13 . 1 1 70 70 LYS C C 70 177.534 177.534 176.141 1.393 18801 6608 1 13 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.987 -3.385 18801 6609 1 13 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.017 -0.912 18801 6610 1 13 . 1 1 70 70 LYS H H 70 6.997 6.997 8.340 -1.343 18801 6611 1 13 . 1 1 71 71 LEU N N 71 118.952 118.952 119.169 -0.217 18801 6612 1 13 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.551 -0.357 18801 6613 1 13 . 1 1 71 71 LEU C C 71 176.388 176.388 175.927 0.461 18801 6614 1 13 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.350 -1.380 18801 6615 1 13 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.326 -3.384 18801 6616 1 13 . 1 1 71 71 LEU H H 71 6.933 6.933 7.356 -0.423 18801 6617 1 13 . 1 1 72 72 GLN N N 72 121.738 121.738 118.807 2.931 18801 6618 1 13 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.421 -0.101 18801 6619 1 13 . 1 1 72 72 GLN C C 72 177.973 177.973 175.849 2.124 18801 6620 1 13 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.648 -3.426 18801 6621 1 13 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.933 -4.327 18801 6622 1 13 . 1 1 72 72 GLN H H 72 9.040 9.040 8.411 0.629 18801 6623 1 13 . 1 1 73 73 VAL N N 73 122.076 122.076 121.151 0.925 18801 6624 1 13 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.780 -0.949 18801 6625 1 13 . 1 1 73 73 VAL C C 73 177.702 177.702 176.443 1.259 18801 6626 1 13 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.523 -0.125 18801 6627 1 13 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.680 -3.222 18801 6628 1 13 . 1 1 73 73 VAL H H 73 8.759 8.759 8.454 0.305 18801 6629 1 13 . 1 1 74 74 GLY N N 74 117.298 117.298 114.766 2.532 18801 6630 1 13 . 1 1 74 74 GLY C C 74 181.597 181.597 173.419 8.178 18801 6631 1 13 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.492 -2.632 18801 6632 1 13 . 1 1 74 74 GLY H H 74 8.626 8.626 8.440 0.186 18801 6633 1 13 . 1 1 75 75 GLU N N 75 122.135 122.135 119.736 2.399 18801 6634 1 13 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.630 -0.494 18801 6635 1 13 . 1 1 75 75 GLU C C 75 180.891 180.891 175.463 5.428 18801 6636 1 13 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.649 -1.286 18801 6637 1 13 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.846 -3.437 18801 6638 1 13 . 1 1 75 75 GLU H H 75 7.877 7.877 7.954 -0.077 18801 6639 1 13 . 1 1 76 76 VAL N N 76 121.950 121.950 123.711 -1.761 18801 6640 1 13 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.408 0.532 18801 6641 1 13 . 1 1 76 76 VAL C C 76 177.920 177.920 176.360 1.560 18801 6642 1 13 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.020 -5.089 18801 6643 1 13 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.146 -2.105 18801 6644 1 13 . 1 1 76 76 VAL H H 76 7.877 7.877 8.453 -0.576 18801 6645 1 13 . 1 1 77 77 SER N N 77 125.434 125.434 123.237 2.197 18801 6646 1 13 . 1 1 77 77 SER HA H 77 4.275 4.275 4.523 -0.248 18801 6647 1 13 . 1 1 77 77 SER C C 77 181.544 181.544 174.283 7.261 18801 6648 1 13 . 1 1 77 77 SER CA C 77 56.028 56.028 57.739 -1.711 18801 6649 1 13 . 1 1 77 77 SER CB C 77 62.729 62.729 65.226 -2.497 18801 6650 1 13 . 1 1 77 77 SER H H 77 9.611 9.611 9.111 0.500 18801 6651 1 13 . 1 1 78 78 GLU N N 78 114.680 114.680 116.676 -1.996 18801 6652 1 13 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.848 -0.237 18801 6653 1 13 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.396 0.350 18801 6654 1 13 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.896 -4.393 18801 6655 1 13 . 1 1 78 78 GLU H H 78 7.589 7.589 8.563 -0.974 18801 6656 1 13 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.516 0.214 18801 6657 1 13 . 1 1 79 79 PRO C C 79 177.642 177.642 175.736 1.906 18801 6658 1 13 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.800 -2.322 18801 6659 1 13 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.778 -2.478 18801 6660 1 13 . 1 1 80 80 ILE N N 80 127.418 127.418 124.899 2.519 18801 6661 1 13 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.084 0.416 18801 6662 1 13 . 1 1 80 80 ILE C C 80 179.315 179.315 176.005 3.310 18801 6663 1 13 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.908 -5.200 18801 6664 1 13 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.220 -0.102 18801 6665 1 13 . 1 1 80 80 ILE H H 80 9.614 9.614 8.076 1.538 18801 6666 1 13 . 1 1 81 81 LYS N N 81 129.156 129.156 131.407 -2.251 18801 6667 1 13 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.173 0.103 18801 6668 1 13 . 1 1 81 81 LYS C C 81 179.186 179.186 175.511 3.675 18801 6669 1 13 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.941 -4.061 18801 6670 1 13 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.554 -1.749 18801 6671 1 13 . 1 1 81 81 LYS H H 81 8.637 8.637 8.808 -0.171 18801 6672 1 13 . 1 1 82 82 SER N N 82 125.346 125.346 123.350 1.996 18801 6673 1 13 . 1 1 82 82 SER HA H 82 4.836 4.836 4.778 0.058 18801 6674 1 13 . 1 1 82 82 SER C C 82 179.369 179.369 174.374 4.995 18801 6675 1 13 . 1 1 82 82 SER CA C 82 53.893 53.893 56.788 -2.895 18801 6676 1 13 . 1 1 82 82 SER CB C 82 64.579 64.579 66.093 -1.514 18801 6677 1 13 . 1 1 82 82 SER H H 82 9.532 9.532 8.480 1.052 18801 6678 1 13 . 1 1 83 83 GLU N N 83 118.760 118.760 118.856 -0.096 18801 6679 1 13 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.019 0.029 18801 6680 1 13 . 1 1 83 83 GLU C C 83 177.803 177.803 177.071 0.732 18801 6681 1 13 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.447 -3.089 18801 6682 1 13 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.135 -2.790 18801 6683 1 13 . 1 1 83 83 GLU H H 83 9.535 9.535 8.511 1.024 18801 6684 1 13 . 1 1 84 84 PHE N N 84 118.360 118.360 117.670 0.690 18801 6685 1 13 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.558 -0.030 18801 6686 1 13 . 1 1 84 84 PHE C C 84 179.367 179.367 175.750 3.617 18801 6687 1 13 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.648 -2.530 18801 6688 1 13 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.712 -2.676 18801 6689 1 13 . 1 1 84 84 PHE H H 84 8.803 8.803 7.606 1.197 18801 6690 1 13 . 1 1 85 85 GLY N N 85 107.365 107.365 105.998 1.367 18801 6691 1 13 . 1 1 85 85 GLY C C 85 184.805 184.805 173.006 11.799 18801 6692 1 13 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.289 -2.611 18801 6693 1 13 . 1 1 85 85 GLY H H 85 7.323 7.323 7.157 0.166 18801 6694 1 13 . 1 1 86 86 TYR N N 86 119.303 119.303 122.965 -3.662 18801 6695 1 13 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.763 0.232 18801 6696 1 13 . 1 1 86 86 TYR C C 86 180.178 180.178 175.774 4.404 18801 6697 1 13 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.374 -3.998 18801 6698 1 13 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.481 -0.038 18801 6699 1 13 . 1 1 86 86 TYR H H 86 8.990 8.990 7.895 1.095 18801 6700 1 13 . 1 1 87 87 HIS N N 87 120.588 120.588 124.015 -3.427 18801 6701 1 13 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.172 0.359 18801 6702 1 13 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.920 -4.447 18801 6703 1 13 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.443 -3.264 18801 6704 1 13 . 1 1 87 87 HIS H H 87 9.791 9.791 8.690 1.101 18801 6705 1 13 . 1 1 88 88 ILE N N 88 122.986 122.986 127.518 -4.532 18801 6706 1 13 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.481 -0.436 18801 6707 1 13 . 1 1 88 88 ILE C C 88 179.375 179.375 175.693 3.682 18801 6708 1 13 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.273 -0.050 18801 6709 1 13 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.581 0.772 18801 6710 1 13 . 1 1 88 88 ILE H H 88 9.161 9.161 8.241 0.920 18801 6711 1 13 . 1 1 89 89 ILE N N 89 128.220 128.220 128.832 -0.612 18801 6712 1 13 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.521 0.260 18801 6713 1 13 . 1 1 89 89 ILE C C 89 181.174 181.174 174.931 6.243 18801 6714 1 13 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.069 -3.341 18801 6715 1 13 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.619 -0.023 18801 6716 1 13 . 1 1 89 89 ILE H H 89 8.568 8.568 8.111 0.457 18801 6717 1 13 . 1 1 90 90 LYS N N 90 125.284 125.284 126.651 -1.367 18801 6718 1 13 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.108 0.056 18801 6719 1 13 . 1 1 90 90 LYS C C 90 179.565 179.565 175.508 4.057 18801 6720 1 13 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.337 -2.966 18801 6721 1 13 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.917 -3.262 18801 6722 1 13 . 1 1 90 90 LYS H H 90 8.580 8.580 7.847 0.733 18801 6723 1 13 . 1 1 91 91 ARG N N 91 126.331 126.331 127.036 -0.705 18801 6724 1 13 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.415 0.602 18801 6725 1 13 . 1 1 91 91 ARG C C 91 179.376 179.376 175.405 3.971 18801 6726 1 13 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.715 -4.802 18801 6727 1 13 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.992 -3.430 18801 6728 1 13 . 1 1 91 91 ARG H H 91 7.641 7.641 8.209 -0.568 18801 6729 1 13 . 1 1 92 92 PHE N N 92 127.260 127.260 123.397 3.863 18801 6730 1 13 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.547 -0.041 18801 6731 1 13 . 1 1 92 92 PHE C C 92 179.492 179.492 176.290 3.202 18801 6732 1 13 . 1 1 92 92 PHE CA C 92 56.238 56.238 57.858 -1.620 18801 6733 1 13 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.176 -1.570 18801 6734 1 13 . 1 1 92 92 PHE H H 92 9.044 9.044 8.219 0.825 18801 6735 1 14 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.592 -0.123 18801 6736 1 14 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.005 -2.756 18801 6737 1 14 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.966 -2.430 18801 6738 1 14 . 1 1 3 3 SER N N 3 116.356 116.356 119.248 -2.892 18801 6739 1 14 . 1 1 3 3 SER HA H 3 4.457 4.457 4.629 -0.172 18801 6740 1 14 . 1 1 3 3 SER CA C 3 55.255 55.255 57.416 -2.161 18801 6741 1 14 . 1 1 3 3 SER CB C 3 61.066 61.066 65.482 -4.416 18801 6742 1 14 . 1 1 3 3 SER H H 3 8.502 8.502 8.384 0.118 18801 6743 1 14 . 1 1 4 4 ASN N N 4 120.863 120.863 118.590 2.273 18801 6744 1 14 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.677 0.019 18801 6745 1 14 . 1 1 4 4 ASN C C 4 180.499 180.499 174.294 6.205 18801 6746 1 14 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.206 -3.470 18801 6747 1 14 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.211 -3.410 18801 6748 1 14 . 1 1 4 4 ASN H H 4 8.463 8.463 8.753 -0.290 18801 6749 1 14 . 1 1 5 5 LYS N N 5 119.444 119.444 117.053 2.391 18801 6750 1 14 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.114 -0.018 18801 6751 1 14 . 1 1 5 5 LYS C C 5 179.306 179.306 174.704 4.602 18801 6752 1 14 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.324 -2.375 18801 6753 1 14 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.805 -3.164 18801 6754 1 14 . 1 1 5 5 LYS H H 5 7.965 7.965 7.389 0.576 18801 6755 1 14 . 1 1 6 6 ILE N N 6 115.941 115.941 113.464 2.477 18801 6756 1 14 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.721 0.840 18801 6757 1 14 . 1 1 6 6 ILE C C 6 183.130 183.130 174.097 9.033 18801 6758 1 14 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.733 -2.015 18801 6759 1 14 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.171 -2.467 18801 6760 1 14 . 1 1 6 6 ILE H H 6 8.133 8.133 7.858 0.275 18801 6761 1 14 . 1 1 7 7 LYS N N 7 122.265 122.265 123.594 -1.329 18801 6762 1 14 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.625 0.130 18801 6763 1 14 . 1 1 7 7 LYS C C 7 177.364 177.364 176.868 0.496 18801 6764 1 14 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.584 -6.356 18801 6765 1 14 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.198 -2.012 18801 6766 1 14 . 1 1 7 7 LYS H H 7 8.155 8.155 8.275 -0.120 18801 6767 1 14 . 1 1 8 8 CYS N N 8 118.452 118.452 118.975 -0.523 18801 6768 1 14 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.229 0.526 18801 6769 1 14 . 1 1 8 8 CYS C C 8 181.803 181.803 172.685 9.118 18801 6770 1 14 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.535 -3.935 18801 6771 1 14 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.572 0.013 18801 6772 1 14 . 1 1 8 8 CYS H H 8 7.243 7.243 8.404 -1.161 18801 6773 1 14 . 1 1 9 9 SER N N 9 115.559 115.559 115.186 0.373 18801 6774 1 14 . 1 1 9 9 SER HA H 9 5.777 5.777 5.422 0.355 18801 6775 1 14 . 1 1 9 9 SER C C 9 181.609 181.609 173.555 8.054 18801 6776 1 14 . 1 1 9 9 SER CA C 9 53.256 53.256 56.597 -3.341 18801 6777 1 14 . 1 1 9 9 SER CB C 9 64.431 64.431 65.737 -1.306 18801 6778 1 14 . 1 1 9 9 SER H H 9 9.148 9.148 8.360 0.788 18801 6779 1 14 . 1 1 10 10 HIS N N 10 119.227 119.227 113.371 5.856 18801 6780 1 14 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.283 1.208 18801 6781 1 14 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.888 -4.644 18801 6782 1 14 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.328 2.320 18801 6783 1 14 . 1 1 10 10 HIS H H 10 9.626 9.626 8.832 0.794 18801 6784 1 14 . 1 1 11 11 ILE N N 11 121.859 121.859 121.603 0.256 18801 6785 1 14 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.268 -0.860 18801 6786 1 14 . 1 1 11 11 ILE C C 11 182.235 182.235 174.076 8.159 18801 6787 1 14 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.214 -1.606 18801 6788 1 14 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.484 -2.927 18801 6789 1 14 . 1 1 11 11 ILE H H 11 8.978 8.978 8.932 0.046 18801 6790 1 14 . 1 1 12 12 LEU N N 12 128.789 128.789 128.282 0.507 18801 6791 1 14 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.420 -0.372 18801 6792 1 14 . 1 1 12 12 LEU C C 12 180.111 180.111 176.627 3.484 18801 6793 1 14 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.027 -3.498 18801 6794 1 14 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.276 -1.002 18801 6795 1 14 . 1 1 12 12 LEU H H 12 7.659 7.659 8.033 -0.374 18801 6796 1 14 . 1 1 13 13 VAL N N 13 117.652 117.652 116.575 1.077 18801 6797 1 14 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.777 0.146 18801 6798 1 14 . 1 1 13 13 VAL C C 13 178.956 178.956 175.050 3.906 18801 6799 1 14 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.757 -3.401 18801 6800 1 14 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.928 -2.683 18801 6801 1 14 . 1 1 13 13 VAL H H 13 8.916 8.916 7.834 1.082 18801 6802 1 14 . 1 1 14 14 SER N N 14 115.236 115.236 114.247 0.989 18801 6803 1 14 . 1 1 14 14 SER HA H 14 4.591 4.591 4.688 -0.097 18801 6804 1 14 . 1 1 14 14 SER C C 14 179.440 179.440 174.286 5.154 18801 6805 1 14 . 1 1 14 14 SER CA C 14 58.302 58.302 58.164 0.137 18801 6806 1 14 . 1 1 14 14 SER CB C 14 61.585 61.585 64.165 -2.580 18801 6807 1 14 . 1 1 14 14 SER H H 14 8.799 8.799 8.503 0.296 18801 6808 1 14 . 1 1 15 15 LYS N N 15 117.100 117.100 120.454 -3.354 18801 6809 1 14 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.909 -0.096 18801 6810 1 14 . 1 1 15 15 LYS C C 15 178.183 178.183 176.309 1.874 18801 6811 1 14 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.581 -3.784 18801 6812 1 14 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.581 -1.625 18801 6813 1 14 . 1 1 15 15 LYS H H 15 7.749 7.749 7.423 0.326 18801 6814 1 14 . 1 1 16 16 GLN N N 16 126.339 126.339 122.695 3.644 18801 6815 1 14 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.436 -0.891 18801 6816 1 14 . 1 1 16 16 GLN C C 16 176.604 176.604 177.963 -1.359 18801 6817 1 14 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.518 -2.079 18801 6818 1 14 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.795 -3.031 18801 6819 1 14 . 1 1 16 16 GLN H H 16 8.810 8.810 9.197 -0.387 18801 6820 1 14 . 1 1 17 17 SER N N 17 112.691 112.691 114.442 -1.751 18801 6821 1 14 . 1 1 17 17 SER HA H 17 3.841 3.841 4.204 -0.363 18801 6822 1 14 . 1 1 17 17 SER C C 17 176.880 176.880 175.497 1.383 18801 6823 1 14 . 1 1 17 17 SER CA C 17 58.169 58.169 60.260 -2.091 18801 6824 1 14 . 1 1 17 17 SER CB C 17 58.144 58.144 62.642 -4.498 18801 6825 1 14 . 1 1 17 17 SER H H 17 8.637 8.637 8.413 0.224 18801 6826 1 14 . 1 1 18 18 GLU N N 18 122.640 122.640 120.243 2.397 18801 6827 1 14 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.234 -0.190 18801 6828 1 14 . 1 1 18 18 GLU C C 18 176.035 176.035 177.632 -1.597 18801 6829 1 14 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.336 -3.285 18801 6830 1 14 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.190 -3.287 18801 6831 1 14 . 1 1 18 18 GLU H H 18 6.560 6.560 7.669 -1.109 18801 6832 1 14 . 1 1 19 19 ALA N N 19 122.963 122.963 122.732 0.231 18801 6833 1 14 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.095 -0.290 18801 6834 1 14 . 1 1 19 19 ALA C C 19 175.728 175.728 179.775 -4.047 18801 6835 1 14 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.011 -3.061 18801 6836 1 14 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.773 -4.283 18801 6837 1 14 . 1 1 19 19 ALA H H 19 7.435 7.435 7.617 -0.182 18801 6838 1 14 . 1 1 20 20 LEU N N 20 117.683 117.683 119.587 -1.904 18801 6839 1 14 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.077 -0.176 18801 6840 1 14 . 1 1 20 20 LEU C C 20 174.983 174.983 178.474 -3.491 18801 6841 1 14 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.655 -1.646 18801 6842 1 14 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.797 -2.956 18801 6843 1 14 . 1 1 20 20 LEU H H 20 8.204 8.204 8.349 -0.145 18801 6844 1 14 . 1 1 21 21 ALA N N 21 122.191 122.191 121.843 0.348 18801 6845 1 14 . 1 1 21 21 ALA HA H 21 4.144 4.144 3.972 0.172 18801 6846 1 14 . 1 1 21 21 ALA C C 21 173.510 173.510 178.691 -5.181 18801 6847 1 14 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.698 -2.612 18801 6848 1 14 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.743 -2.881 18801 6849 1 14 . 1 1 21 21 ALA H H 21 7.432 7.432 8.065 -0.633 18801 6850 1 14 . 1 1 22 22 ILE N N 22 120.079 120.079 118.290 1.789 18801 6851 1 14 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.674 -0.271 18801 6852 1 14 . 1 1 22 22 ILE C C 22 177.128 177.128 178.055 -0.927 18801 6853 1 14 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.905 -1.627 18801 6854 1 14 . 1 1 22 22 ILE CB C 22 34.307 34.307 36.967 -2.660 18801 6855 1 14 . 1 1 22 22 ILE H H 22 7.649 7.649 7.457 0.192 18801 6856 1 14 . 1 1 23 23 MET N N 23 118.682 118.682 116.485 2.197 18801 6857 1 14 . 1 1 23 23 MET HA H 23 4.260 4.260 4.303 -0.043 18801 6858 1 14 . 1 1 23 23 MET C C 23 175.086 175.086 176.969 -1.883 18801 6859 1 14 . 1 1 23 23 MET CA C 23 54.737 54.737 57.979 -3.242 18801 6860 1 14 . 1 1 23 23 MET CB C 23 27.240 27.240 32.276 -5.036 18801 6861 1 14 . 1 1 23 23 MET H H 23 8.008 8.008 7.660 0.348 18801 6862 1 14 . 1 1 24 24 GLU N N 24 118.261 118.261 120.152 -1.891 18801 6863 1 14 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.326 -0.321 18801 6864 1 14 . 1 1 24 24 GLU C C 24 175.157 175.157 178.461 -3.304 18801 6865 1 14 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.999 -1.536 18801 6866 1 14 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.715 -3.464 18801 6867 1 14 . 1 1 24 24 GLU H H 24 7.527 7.527 7.939 -0.412 18801 6868 1 14 . 1 1 25 25 LYS N N 25 121.138 121.138 119.924 1.214 18801 6869 1 14 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.065 -0.056 18801 6870 1 14 . 1 1 25 25 LYS C C 25 174.603 174.603 179.404 -4.801 18801 6871 1 14 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.508 -2.647 18801 6872 1 14 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.457 -2.648 18801 6873 1 14 . 1 1 25 25 LYS H H 25 7.645 7.645 8.382 -0.737 18801 6874 1 14 . 1 1 26 26 LEU N N 26 121.410 121.410 118.917 2.493 18801 6875 1 14 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.071 0.110 18801 6876 1 14 . 1 1 26 26 LEU C C 26 172.921 172.921 179.190 -6.269 18801 6877 1 14 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.358 -2.450 18801 6878 1 14 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.458 -2.953 18801 6879 1 14 . 1 1 26 26 LEU H H 26 8.617 8.617 7.621 0.996 18801 6880 1 14 . 1 1 27 27 LYS N N 27 121.975 121.975 119.401 2.574 18801 6881 1 14 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.021 0.002 18801 6882 1 14 . 1 1 27 27 LYS C C 27 176.493 176.493 177.600 -1.107 18801 6883 1 14 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.867 -2.255 18801 6884 1 14 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.140 -2.882 18801 6885 1 14 . 1 1 27 27 LYS H H 27 8.239 8.239 8.138 0.101 18801 6886 1 14 . 1 1 28 28 SER N N 28 113.123 113.123 112.235 0.888 18801 6887 1 14 . 1 1 28 28 SER HA H 28 4.472 4.472 4.433 0.039 18801 6888 1 14 . 1 1 28 28 SER C C 28 180.378 180.378 174.903 5.475 18801 6889 1 14 . 1 1 28 28 SER CA C 28 56.232 56.232 59.404 -3.172 18801 6890 1 14 . 1 1 28 28 SER CB C 28 60.798 60.798 64.174 -3.376 18801 6891 1 14 . 1 1 28 28 SER H H 28 7.620 7.620 7.672 -0.052 18801 6892 1 14 . 1 1 29 29 GLY N N 29 107.497 107.497 109.024 -1.527 18801 6893 1 14 . 1 1 29 29 GLY C C 29 179.552 179.552 173.782 5.770 18801 6894 1 14 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.976 -2.928 18801 6895 1 14 . 1 1 29 29 GLY H H 29 7.667 7.667 7.827 -0.160 18801 6896 1 14 . 1 1 30 30 GLU N N 30 121.320 121.320 119.839 1.481 18801 6897 1 14 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.455 -0.232 18801 6898 1 14 . 1 1 30 30 GLU C C 30 178.900 178.900 175.793 3.107 18801 6899 1 14 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.081 -0.879 18801 6900 1 14 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.997 -3.916 18801 6901 1 14 . 1 1 30 30 GLU H H 30 7.690 7.690 7.933 -0.243 18801 6902 1 14 . 1 1 31 31 LYS N N 31 122.239 122.239 120.301 1.938 18801 6903 1 14 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.649 -0.418 18801 6904 1 14 . 1 1 31 31 LYS C C 31 177.152 177.152 176.925 0.227 18801 6905 1 14 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.550 -1.216 18801 6906 1 14 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.721 -3.585 18801 6907 1 14 . 1 1 31 31 LYS H H 31 8.793 8.793 8.231 0.562 18801 6908 1 14 . 1 1 32 32 PHE N N 32 126.167 126.167 126.029 0.138 18801 6909 1 14 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.215 -0.580 18801 6910 1 14 . 1 1 32 32 PHE C C 32 177.437 177.437 177.120 0.317 18801 6911 1 14 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.775 -1.693 18801 6912 1 14 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.481 -1.955 18801 6913 1 14 . 1 1 32 32 PHE H H 32 9.002 9.002 9.221 -0.219 18801 6914 1 14 . 1 1 33 33 GLY N N 33 103.648 103.648 106.234 -2.586 18801 6915 1 14 . 1 1 33 33 GLY C C 33 179.280 179.280 176.015 3.265 18801 6916 1 14 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.140 -2.981 18801 6917 1 14 . 1 1 33 33 GLY H H 33 9.168 9.168 8.974 0.194 18801 6918 1 14 . 1 1 34 34 LYS N N 34 120.972 120.972 120.434 0.538 18801 6919 1 14 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.071 -0.101 18801 6920 1 14 . 1 1 34 34 LYS C C 34 176.326 176.326 177.894 -1.568 18801 6921 1 14 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.615 -2.373 18801 6922 1 14 . 1 1 34 34 LYS CB C 34 30.335 30.335 31.938 -1.603 18801 6923 1 14 . 1 1 34 34 LYS H H 34 6.642 6.642 7.580 -0.938 18801 6924 1 14 . 1 1 35 35 LEU N N 35 118.154 118.154 115.823 2.331 18801 6925 1 14 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.418 -0.515 18801 6926 1 14 . 1 1 35 35 LEU C C 35 175.872 175.872 178.006 -2.134 18801 6927 1 14 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.879 -1.387 18801 6928 1 14 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.095 -3.325 18801 6929 1 14 . 1 1 35 35 LEU H H 35 7.425 7.425 7.471 -0.046 18801 6930 1 14 . 1 1 36 36 ALA N N 36 120.438 120.438 122.634 -2.196 18801 6931 1 14 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.973 -0.283 18801 6932 1 14 . 1 1 36 36 ALA C C 36 176.117 176.117 178.884 -2.767 18801 6933 1 14 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.838 -2.264 18801 6934 1 14 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.260 -3.529 18801 6935 1 14 . 1 1 36 36 ALA H H 36 8.229 8.229 7.935 0.294 18801 6936 1 14 . 1 1 37 37 LYS N N 37 116.463 116.463 114.958 1.505 18801 6937 1 14 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.461 -0.414 18801 6938 1 14 . 1 1 37 37 LYS C C 37 175.232 175.232 176.553 -1.321 18801 6939 1 14 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.404 -0.986 18801 6940 1 14 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.688 -2.731 18801 6941 1 14 . 1 1 37 37 LYS H H 37 7.568 7.568 8.050 -0.482 18801 6942 1 14 . 1 1 38 38 GLU N N 38 115.319 115.319 117.563 -2.244 18801 6943 1 14 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.388 -0.354 18801 6944 1 14 . 1 1 38 38 GLU C C 38 176.423 176.423 177.440 -1.017 18801 6945 1 14 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.750 -0.981 18801 6946 1 14 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.977 -2.688 18801 6947 1 14 . 1 1 38 38 GLU H H 38 7.766 7.766 7.430 0.336 18801 6948 1 14 . 1 1 39 39 LEU N N 39 114.689 114.689 120.417 -5.728 18801 6949 1 14 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.070 0.425 18801 6950 1 14 . 1 1 39 39 LEU C C 39 177.452 177.452 177.760 -0.308 18801 6951 1 14 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.883 -4.838 18801 6952 1 14 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.419 -0.599 18801 6953 1 14 . 1 1 39 39 LEU H H 39 8.214 8.214 8.021 0.193 18801 6954 1 14 . 1 1 40 40 SER N N 40 110.112 110.112 112.710 -2.598 18801 6955 1 14 . 1 1 40 40 SER HA H 40 4.617 4.617 4.387 0.230 18801 6956 1 14 . 1 1 40 40 SER C C 40 177.179 177.179 175.712 1.467 18801 6957 1 14 . 1 1 40 40 SER CA C 40 54.102 54.102 59.337 -5.235 18801 6958 1 14 . 1 1 40 40 SER CB C 40 62.559 62.559 63.269 -0.710 18801 6959 1 14 . 1 1 40 40 SER H H 40 7.848 7.848 7.538 0.310 18801 6960 1 14 . 1 1 41 41 ILE N N 41 119.941 119.941 121.025 -1.084 18801 6961 1 14 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.103 0.267 18801 6962 1 14 . 1 1 41 41 ILE C C 41 178.010 178.010 175.899 2.111 18801 6963 1 14 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.434 -2.556 18801 6964 1 14 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.382 -4.037 18801 6965 1 14 . 1 1 41 41 ILE H H 41 9.126 9.126 8.067 1.059 18801 6966 1 14 . 1 1 42 42 ASP N N 42 120.547 120.547 121.249 -0.702 18801 6967 1 14 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.486 0.347 18801 6968 1 14 . 1 1 42 42 ASP C C 42 179.215 179.215 177.248 1.967 18801 6969 1 14 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.190 -4.872 18801 6970 1 14 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.966 -3.750 18801 6971 1 14 . 1 1 42 42 ASP H H 42 7.476 7.476 7.928 -0.452 18801 6972 1 14 . 1 1 43 43 SER N N 43 122.805 122.805 122.744 0.061 18801 6973 1 14 . 1 1 43 43 SER HA H 43 4.115 4.115 4.152 -0.037 18801 6974 1 14 . 1 1 43 43 SER C C 43 178.349 178.349 175.777 2.572 18801 6975 1 14 . 1 1 43 43 SER CA C 43 58.425 58.425 60.984 -2.559 18801 6976 1 14 . 1 1 43 43 SER CB C 43 59.904 59.904 63.288 -3.384 18801 6977 1 14 . 1 1 43 43 SER H H 43 8.215 8.215 8.516 -0.301 18801 6978 1 14 . 1 1 44 44 GLY N N 44 107.974 107.974 106.176 1.798 18801 6979 1 14 . 1 1 44 44 GLY C C 44 179.677 179.677 173.674 6.003 18801 6980 1 14 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.820 -1.009 18801 6981 1 14 . 1 1 44 44 GLY H H 44 8.384 8.384 8.118 0.266 18801 6982 1 14 . 1 1 45 45 SER N N 45 110.539 110.539 114.850 -4.311 18801 6983 1 14 . 1 1 45 45 SER HA H 45 4.493 4.493 4.519 -0.026 18801 6984 1 14 . 1 1 45 45 SER C C 45 176.530 176.530 174.743 1.787 18801 6985 1 14 . 1 1 45 45 SER CA C 45 56.718 56.718 58.848 -2.130 18801 6986 1 14 . 1 1 45 45 SER CB C 45 62.291 62.291 63.768 -1.477 18801 6987 1 14 . 1 1 45 45 SER H H 45 7.177 7.177 7.689 -0.512 18801 6988 1 14 . 1 1 46 46 ALA N N 46 132.579 132.579 125.675 6.904 18801 6989 1 14 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.526 -0.788 18801 6990 1 14 . 1 1 46 46 ALA C C 46 175.404 175.404 178.942 -3.538 18801 6991 1 14 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.612 -0.425 18801 6992 1 14 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.682 -2.745 18801 6993 1 14 . 1 1 46 46 ALA H H 46 8.726 8.726 8.111 0.615 18801 6994 1 14 . 1 1 47 47 LYS N N 47 111.990 111.990 115.913 -3.923 18801 6995 1 14 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.222 -0.115 18801 6996 1 14 . 1 1 47 47 LYS C C 47 177.450 177.450 176.974 0.476 18801 6997 1 14 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.537 -2.428 18801 6998 1 14 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.775 -3.926 18801 6999 1 14 . 1 1 47 47 LYS H H 47 7.668 7.668 8.333 -0.665 18801 7000 1 14 . 1 1 48 48 LYS N N 48 118.900 118.900 116.273 2.627 18801 7001 1 14 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.566 0.037 18801 7002 1 14 . 1 1 48 48 LYS C C 48 177.786 177.786 175.696 2.090 18801 7003 1 14 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.889 -3.375 18801 7004 1 14 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.831 -3.373 18801 7005 1 14 . 1 1 48 48 LYS H H 48 7.382 7.382 7.683 -0.301 18801 7006 1 14 . 1 1 49 49 ASN N N 49 115.995 115.995 117.734 -1.739 18801 7007 1 14 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.308 -0.050 18801 7008 1 14 . 1 1 49 49 ASN C C 49 180.354 180.354 175.794 4.560 18801 7009 1 14 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.611 -2.197 18801 7010 1 14 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.257 -3.935 18801 7011 1 14 . 1 1 49 49 ASN H H 49 8.021 8.021 8.166 -0.145 18801 7012 1 14 . 1 1 50 50 GLY N N 50 104.621 104.621 102.200 2.421 18801 7013 1 14 . 1 1 50 50 GLY C C 50 180.665 180.665 173.388 7.277 18801 7014 1 14 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.865 -3.332 18801 7015 1 14 . 1 1 50 50 GLY H H 50 8.512 8.512 8.748 -0.236 18801 7016 1 14 . 1 1 51 51 ASN N N 51 118.054 118.054 118.917 -0.863 18801 7017 1 14 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.671 0.128 18801 7018 1 14 . 1 1 51 51 ASN C C 51 179.848 179.848 175.775 4.073 18801 7019 1 14 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.444 0.649 18801 7020 1 14 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.478 -2.681 18801 7021 1 14 . 1 1 51 51 ASN H H 51 7.146 7.146 8.107 -0.961 18801 7022 1 14 . 1 1 52 52 LEU N N 52 126.673 126.673 118.900 7.773 18801 7023 1 14 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.235 0.085 18801 7024 1 14 . 1 1 52 52 LEU C C 52 176.682 176.682 177.698 -1.016 18801 7025 1 14 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.333 -3.892 18801 7026 1 14 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.629 -1.167 18801 7027 1 14 . 1 1 52 52 LEU H H 52 8.607 8.607 7.755 0.852 18801 7028 1 14 . 1 1 53 53 GLY N N 53 108.525 108.525 106.818 1.707 18801 7029 1 14 . 1 1 53 53 GLY C C 53 182.708 182.708 173.987 8.721 18801 7030 1 14 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.270 -3.667 18801 7031 1 14 . 1 1 53 53 GLY H H 53 8.121 8.121 7.436 0.685 18801 7032 1 14 . 1 1 54 54 TYR N N 54 114.992 114.992 123.085 -8.093 18801 7033 1 14 . 1 1 54 54 TYR HA H 54 5.182 5.182 4.985 0.197 18801 7034 1 14 . 1 1 54 54 TYR C C 54 176.195 176.195 176.342 -0.147 18801 7035 1 14 . 1 1 54 54 TYR CA C 54 55.026 55.026 58.245 -3.219 18801 7036 1 14 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.299 -1.904 18801 7037 1 14 . 1 1 54 54 TYR H H 54 8.187 8.187 8.457 -0.270 18801 7038 1 14 . 1 1 55 55 PHE N N 55 118.041 118.041 122.254 -4.213 18801 7039 1 14 . 1 1 55 55 PHE HA H 55 5.103 5.103 4.967 0.136 18801 7040 1 14 . 1 1 55 55 PHE C C 55 181.875 181.875 173.400 8.475 18801 7041 1 14 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.061 -3.136 18801 7042 1 14 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.169 -3.002 18801 7043 1 14 . 1 1 55 55 PHE H H 55 9.093 9.093 8.644 0.449 18801 7044 1 14 . 1 1 56 56 THR N N 56 109.577 109.577 109.022 0.555 18801 7045 1 14 . 1 1 56 56 THR HA H 56 5.267 5.267 3.992 1.275 18801 7046 1 14 . 1 1 56 56 THR C C 56 178.403 178.403 173.549 4.854 18801 7047 1 14 . 1 1 56 56 THR CA C 56 56.522 56.522 60.432 -3.910 18801 7048 1 14 . 1 1 56 56 THR CB C 56 69.673 69.673 71.689 -2.016 18801 7049 1 14 . 1 1 56 56 THR H H 56 7.949 7.949 7.843 0.106 18801 7050 1 14 . 1 1 57 57 LYS N N 57 121.639 121.639 121.304 0.335 18801 7051 1 14 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.304 -0.309 18801 7052 1 14 . 1 1 57 57 LYS C C 57 176.706 176.706 177.038 -0.332 18801 7053 1 14 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.222 -1.527 18801 7054 1 14 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.859 -2.475 18801 7055 1 14 . 1 1 57 57 LYS H H 57 8.703 8.703 8.648 0.055 18801 7056 1 14 . 1 1 58 58 GLY N N 58 114.416 114.416 112.958 1.458 18801 7057 1 14 . 1 1 58 58 GLY C C 58 180.079 180.079 174.606 5.473 18801 7058 1 14 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.155 -2.796 18801 7059 1 14 . 1 1 58 58 GLY H H 58 10.495 10.495 9.073 1.422 18801 7060 1 14 . 1 1 59 59 MET N N 59 118.231 118.231 117.860 0.371 18801 7061 1 14 . 1 1 59 59 MET HA H 59 4.366 4.366 4.701 -0.335 18801 7062 1 14 . 1 1 59 59 MET C C 59 178.798 178.798 175.698 3.100 18801 7063 1 14 . 1 1 59 59 MET CA C 59 55.129 55.129 55.571 -0.442 18801 7064 1 14 . 1 1 59 59 MET CB C 59 32.196 32.196 33.797 -1.601 18801 7065 1 14 . 1 1 59 59 MET H H 59 7.681 7.681 8.164 -0.483 18801 7066 1 14 . 1 1 60 60 MET N N 60 118.667 118.667 118.000 0.667 18801 7067 1 14 . 1 1 60 60 MET HA H 60 4.629 4.629 4.849 -0.220 18801 7068 1 14 . 1 1 60 60 MET C C 60 178.834 178.834 174.955 3.879 18801 7069 1 14 . 1 1 60 60 MET CA C 60 49.108 49.108 53.938 -4.830 18801 7070 1 14 . 1 1 60 60 MET CB C 60 30.952 30.952 35.056 -4.104 18801 7071 1 14 . 1 1 60 60 MET H H 60 8.905 8.905 7.958 0.947 18801 7072 1 14 . 1 1 61 61 VAL N N 61 114.198 114.198 115.854 -1.656 18801 7073 1 14 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.561 -0.405 18801 7074 1 14 . 1 1 61 61 VAL C C 61 176.731 176.731 176.488 0.243 18801 7075 1 14 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.497 -0.132 18801 7076 1 14 . 1 1 61 61 VAL CB C 61 29.681 29.681 34.059 -4.378 18801 7077 1 14 . 1 1 61 61 VAL H H 61 8.062 8.062 8.001 0.061 18801 7078 1 14 . 1 1 62 62 LYS N N 62 124.862 124.862 122.387 2.475 18801 7079 1 14 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.203 -0.054 18801 7080 1 14 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.182 -1.936 18801 7081 1 14 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.233 -4.083 18801 7082 1 14 . 1 1 62 62 LYS H H 62 8.736 8.736 8.838 -0.102 18801 7083 1 14 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.403 -0.005 18801 7084 1 14 . 1 1 63 63 PRO C C 63 174.841 174.841 175.363 -0.522 18801 7085 1 14 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.362 -0.434 18801 7086 1 14 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.458 -1.231 18801 7087 1 14 . 1 1 64 64 PHE N N 64 115.340 115.340 118.507 -3.167 18801 7088 1 14 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.399 -0.765 18801 7089 1 14 . 1 1 64 64 PHE C C 64 178.782 178.782 174.396 4.386 18801 7090 1 14 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.388 -1.695 18801 7091 1 14 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.021 -2.747 18801 7092 1 14 . 1 1 64 64 PHE H H 64 6.870 6.870 7.997 -1.127 18801 7093 1 14 . 1 1 65 65 GLU N N 65 120.356 120.356 120.682 -0.326 18801 7094 1 14 . 1 1 65 65 GLU HA H 65 3.952 3.952 3.974 -0.022 18801 7095 1 14 . 1 1 65 65 GLU C C 65 177.209 177.209 177.890 -0.681 18801 7096 1 14 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.453 -1.669 18801 7097 1 14 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.190 -2.101 18801 7098 1 14 . 1 1 65 65 GLU H H 65 8.429 8.429 8.422 0.007 18801 7099 1 14 . 1 1 66 66 ASP N N 66 117.560 117.560 120.300 -2.740 18801 7100 1 14 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.224 0.079 18801 7101 1 14 . 1 1 66 66 ASP C C 66 176.337 176.337 176.964 -0.627 18801 7102 1 14 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.842 -2.815 18801 7103 1 14 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.687 -3.165 18801 7104 1 14 . 1 1 66 66 ASP H H 66 8.925 8.925 7.599 1.326 18801 7105 1 14 . 1 1 67 67 ALA N N 67 117.959 117.959 118.573 -0.614 18801 7106 1 14 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.349 -0.224 18801 7107 1 14 . 1 1 67 67 ALA C C 67 174.155 174.155 176.489 -2.334 18801 7108 1 14 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.251 -0.144 18801 7109 1 14 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.511 -0.289 18801 7110 1 14 . 1 1 67 67 ALA H H 67 6.805 6.805 7.948 -1.143 18801 7111 1 14 . 1 1 68 68 ALA N N 68 120.884 120.884 120.547 0.337 18801 7112 1 14 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.012 -0.339 18801 7113 1 14 . 1 1 68 68 ALA C C 68 175.535 175.535 176.535 -1.000 18801 7114 1 14 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.420 -0.096 18801 7115 1 14 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.540 -4.585 18801 7116 1 14 . 1 1 68 68 ALA H H 68 8.836 8.836 6.961 1.875 18801 7117 1 14 . 1 1 69 69 PHE N N 69 110.173 110.173 111.679 -1.506 18801 7118 1 14 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.887 -0.885 18801 7119 1 14 . 1 1 69 69 PHE C C 69 178.751 178.751 175.153 3.598 18801 7120 1 14 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.685 2.795 18801 7121 1 14 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.350 -4.522 18801 7122 1 14 . 1 1 69 69 PHE H H 69 8.087 8.087 6.853 1.234 18801 7123 1 14 . 1 1 70 70 LYS N N 70 116.963 116.963 121.136 -4.173 18801 7124 1 14 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.332 0.046 18801 7125 1 14 . 1 1 70 70 LYS C C 70 177.534 177.534 176.048 1.486 18801 7126 1 14 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.361 -3.759 18801 7127 1 14 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.150 -1.045 18801 7128 1 14 . 1 1 70 70 LYS H H 70 6.997 6.997 8.045 -1.048 18801 7129 1 14 . 1 1 71 71 LEU N N 71 118.952 118.952 119.685 -0.733 18801 7130 1 14 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.470 -0.276 18801 7131 1 14 . 1 1 71 71 LEU C C 71 176.388 176.388 176.207 0.181 18801 7132 1 14 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.574 -1.604 18801 7133 1 14 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.709 -2.767 18801 7134 1 14 . 1 1 71 71 LEU H H 71 6.933 6.933 7.382 -0.449 18801 7135 1 14 . 1 1 72 72 GLN N N 72 121.738 121.738 116.285 5.453 18801 7136 1 14 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.481 -0.161 18801 7137 1 14 . 1 1 72 72 GLN C C 72 177.973 177.973 174.598 3.375 18801 7138 1 14 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.232 -3.010 18801 7139 1 14 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.170 -4.564 18801 7140 1 14 . 1 1 72 72 GLN H H 72 9.040 9.040 8.188 0.852 18801 7141 1 14 . 1 1 73 73 VAL N N 73 122.076 122.076 120.559 1.517 18801 7142 1 14 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.887 -1.056 18801 7143 1 14 . 1 1 73 73 VAL C C 73 177.702 177.702 176.576 1.126 18801 7144 1 14 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.712 0.686 18801 7145 1 14 . 1 1 73 73 VAL CB C 73 27.458 27.458 31.375 -3.917 18801 7146 1 14 . 1 1 73 73 VAL H H 73 8.759 8.759 8.258 0.501 18801 7147 1 14 . 1 1 74 74 GLY N N 74 117.298 117.298 116.028 1.270 18801 7148 1 14 . 1 1 74 74 GLY C C 74 181.597 181.597 173.278 8.319 18801 7149 1 14 . 1 1 74 74 GLY CA C 74 41.859 41.859 45.268 -3.409 18801 7150 1 14 . 1 1 74 74 GLY H H 74 8.626 8.626 8.385 0.241 18801 7151 1 14 . 1 1 75 75 GLU N N 75 122.135 122.135 119.369 2.766 18801 7152 1 14 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.677 -0.541 18801 7153 1 14 . 1 1 75 75 GLU C C 75 180.891 180.891 174.843 6.048 18801 7154 1 14 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.498 -1.135 18801 7155 1 14 . 1 1 75 75 GLU CB C 75 29.409 29.409 33.288 -3.879 18801 7156 1 14 . 1 1 75 75 GLU H H 75 7.877 7.877 7.685 0.192 18801 7157 1 14 . 1 1 76 76 VAL N N 76 121.950 121.950 123.810 -1.860 18801 7158 1 14 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.500 0.440 18801 7159 1 14 . 1 1 76 76 VAL C C 76 177.920 177.920 176.401 1.519 18801 7160 1 14 . 1 1 76 76 VAL CA C 76 56.931 56.931 60.532 -3.601 18801 7161 1 14 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.665 -1.624 18801 7162 1 14 . 1 1 76 76 VAL H H 76 7.877 7.877 8.474 -0.597 18801 7163 1 14 . 1 1 77 77 SER N N 77 125.434 125.434 124.175 1.259 18801 7164 1 14 . 1 1 77 77 SER HA H 77 4.275 4.275 4.543 -0.268 18801 7165 1 14 . 1 1 77 77 SER C C 77 181.544 181.544 174.358 7.186 18801 7166 1 14 . 1 1 77 77 SER CA C 77 56.028 56.028 58.197 -2.169 18801 7167 1 14 . 1 1 77 77 SER CB C 77 62.729 62.729 65.223 -2.494 18801 7168 1 14 . 1 1 77 77 SER H H 77 9.611 9.611 9.082 0.529 18801 7169 1 14 . 1 1 78 78 GLU N N 78 114.680 114.680 116.905 -2.225 18801 7170 1 14 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.608 0.003 18801 7171 1 14 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.484 0.262 18801 7172 1 14 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.628 -4.124 18801 7173 1 14 . 1 1 78 78 GLU H H 78 7.589 7.589 8.315 -0.726 18801 7174 1 14 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.511 0.219 18801 7175 1 14 . 1 1 79 79 PRO C C 79 177.642 177.642 175.735 1.907 18801 7176 1 14 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.790 -2.312 18801 7177 1 14 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.737 -2.437 18801 7178 1 14 . 1 1 80 80 ILE N N 80 127.418 127.418 124.866 2.552 18801 7179 1 14 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.080 0.420 18801 7180 1 14 . 1 1 80 80 ILE C C 80 179.315 179.315 176.004 3.311 18801 7181 1 14 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.935 -5.227 18801 7182 1 14 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.179 -0.061 18801 7183 1 14 . 1 1 80 80 ILE H H 80 9.614 9.614 8.089 1.525 18801 7184 1 14 . 1 1 81 81 LYS N N 81 129.156 129.156 130.294 -1.138 18801 7185 1 14 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.175 0.101 18801 7186 1 14 . 1 1 81 81 LYS C C 81 179.186 179.186 175.743 3.443 18801 7187 1 14 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.862 -3.982 18801 7188 1 14 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.447 -1.642 18801 7189 1 14 . 1 1 81 81 LYS H H 81 8.637 8.637 8.756 -0.119 18801 7190 1 14 . 1 1 82 82 SER N N 82 125.346 125.346 122.290 3.056 18801 7191 1 14 . 1 1 82 82 SER HA H 82 4.836 4.836 4.797 0.039 18801 7192 1 14 . 1 1 82 82 SER C C 82 179.369 179.369 174.201 5.168 18801 7193 1 14 . 1 1 82 82 SER CA C 82 53.893 53.893 56.238 -2.345 18801 7194 1 14 . 1 1 82 82 SER CB C 82 64.579 64.579 66.052 -1.473 18801 7195 1 14 . 1 1 82 82 SER H H 82 9.532 9.532 8.062 1.470 18801 7196 1 14 . 1 1 83 83 GLU N N 83 118.760 118.760 118.626 0.134 18801 7197 1 14 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.009 0.039 18801 7198 1 14 . 1 1 83 83 GLU C C 83 177.803 177.803 176.753 1.050 18801 7199 1 14 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.477 -3.119 18801 7200 1 14 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.152 -2.807 18801 7201 1 14 . 1 1 83 83 GLU H H 83 9.535 9.535 8.658 0.877 18801 7202 1 14 . 1 1 84 84 PHE N N 84 118.360 118.360 117.354 1.006 18801 7203 1 14 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.568 -0.040 18801 7204 1 14 . 1 1 84 84 PHE C C 84 179.367 179.367 175.778 3.589 18801 7205 1 14 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.642 -2.524 18801 7206 1 14 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.778 -2.742 18801 7207 1 14 . 1 1 84 84 PHE H H 84 8.803 8.803 7.574 1.229 18801 7208 1 14 . 1 1 85 85 GLY N N 85 107.365 107.365 105.997 1.368 18801 7209 1 14 . 1 1 85 85 GLY C C 85 184.805 184.805 173.180 11.625 18801 7210 1 14 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.248 -2.570 18801 7211 1 14 . 1 1 85 85 GLY H H 85 7.323 7.323 7.162 0.161 18801 7212 1 14 . 1 1 86 86 TYR N N 86 119.303 119.303 122.812 -3.509 18801 7213 1 14 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.663 0.332 18801 7214 1 14 . 1 1 86 86 TYR C C 86 180.178 180.178 175.878 4.300 18801 7215 1 14 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.641 -4.265 18801 7216 1 14 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.243 0.200 18801 7217 1 14 . 1 1 86 86 TYR H H 86 8.990 8.990 8.021 0.969 18801 7218 1 14 . 1 1 87 87 HIS N N 87 120.588 120.588 123.992 -3.404 18801 7219 1 14 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.195 0.336 18801 7220 1 14 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.865 -4.392 18801 7221 1 14 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.553 -3.374 18801 7222 1 14 . 1 1 87 87 HIS H H 87 9.791 9.791 8.636 1.155 18801 7223 1 14 . 1 1 88 88 ILE N N 88 122.986 122.986 127.324 -4.338 18801 7224 1 14 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.486 -0.441 18801 7225 1 14 . 1 1 88 88 ILE C C 88 179.375 179.375 175.647 3.728 18801 7226 1 14 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.011 0.212 18801 7227 1 14 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.548 0.805 18801 7228 1 14 . 1 1 88 88 ILE H H 88 9.161 9.161 8.333 0.828 18801 7229 1 14 . 1 1 89 89 ILE N N 89 128.220 128.220 129.021 -0.801 18801 7230 1 14 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.540 0.241 18801 7231 1 14 . 1 1 89 89 ILE C C 89 181.174 181.174 175.043 6.131 18801 7232 1 14 . 1 1 89 89 ILE CA C 89 57.728 57.728 60.818 -3.090 18801 7233 1 14 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.903 -0.307 18801 7234 1 14 . 1 1 89 89 ILE H H 89 8.568 8.568 8.027 0.541 18801 7235 1 14 . 1 1 90 90 LYS N N 90 125.284 125.284 126.891 -1.607 18801 7236 1 14 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.143 0.021 18801 7237 1 14 . 1 1 90 90 LYS C C 90 179.565 179.565 175.701 3.864 18801 7238 1 14 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.027 -2.656 18801 7239 1 14 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.676 -3.021 18801 7240 1 14 . 1 1 90 90 LYS H H 90 8.580 8.580 8.406 0.174 18801 7241 1 14 . 1 1 91 91 ARG N N 91 126.331 126.331 126.829 -0.498 18801 7242 1 14 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.386 0.631 18801 7243 1 14 . 1 1 91 91 ARG C C 91 179.376 179.376 175.347 4.029 18801 7244 1 14 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.794 -4.881 18801 7245 1 14 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.940 -3.378 18801 7246 1 14 . 1 1 91 91 ARG H H 91 7.641 7.641 8.222 -0.581 18801 7247 1 14 . 1 1 92 92 PHE N N 92 127.260 127.260 124.314 2.946 18801 7248 1 14 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.562 -0.056 18801 7249 1 14 . 1 1 92 92 PHE C C 92 179.492 179.492 176.003 3.489 18801 7250 1 14 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.355 -2.117 18801 7251 1 14 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.152 -1.546 18801 7252 1 14 . 1 1 92 92 PHE H H 92 9.044 9.044 7.919 1.125 18801 7253 1 15 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.547 -0.078 18801 7254 1 15 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.357 -3.108 18801 7255 1 15 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.981 -2.445 18801 7256 1 15 . 1 1 3 3 SER N N 3 116.356 116.356 113.768 2.588 18801 7257 1 15 . 1 1 3 3 SER HA H 3 4.457 4.457 4.560 -0.103 18801 7258 1 15 . 1 1 3 3 SER CA C 3 55.255 55.255 57.210 -1.955 18801 7259 1 15 . 1 1 3 3 SER CB C 3 61.066 61.066 67.020 -5.954 18801 7260 1 15 . 1 1 3 3 SER H H 3 8.502 8.502 7.882 0.620 18801 7261 1 15 . 1 1 4 4 ASN N N 4 120.863 120.863 119.643 1.220 18801 7262 1 15 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.662 0.034 18801 7263 1 15 . 1 1 4 4 ASN C C 4 180.499 180.499 174.135 6.364 18801 7264 1 15 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.590 -3.854 18801 7265 1 15 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.147 -3.346 18801 7266 1 15 . 1 1 4 4 ASN H H 4 8.463 8.463 8.773 -0.310 18801 7267 1 15 . 1 1 5 5 LYS N N 5 119.444 119.444 116.790 2.654 18801 7268 1 15 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.114 -0.018 18801 7269 1 15 . 1 1 5 5 LYS C C 5 179.306 179.306 175.288 4.018 18801 7270 1 15 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.553 -2.604 18801 7271 1 15 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.730 -3.089 18801 7272 1 15 . 1 1 5 5 LYS H H 5 7.965 7.965 7.423 0.542 18801 7273 1 15 . 1 1 6 6 ILE N N 6 115.941 115.941 113.515 2.426 18801 7274 1 15 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.765 0.796 18801 7275 1 15 . 1 1 6 6 ILE C C 6 183.130 183.130 174.352 8.778 18801 7276 1 15 . 1 1 6 6 ILE CA C 6 56.718 56.718 58.953 -2.235 18801 7277 1 15 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.071 -2.367 18801 7278 1 15 . 1 1 6 6 ILE H H 6 8.133 8.133 7.956 0.177 18801 7279 1 15 . 1 1 7 7 LYS N N 7 122.265 122.265 123.073 -0.808 18801 7280 1 15 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.720 0.035 18801 7281 1 15 . 1 1 7 7 LYS C C 7 177.364 177.364 176.878 0.486 18801 7282 1 15 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.357 -6.129 18801 7283 1 15 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.347 -2.161 18801 7284 1 15 . 1 1 7 7 LYS H H 7 8.155 8.155 8.264 -0.109 18801 7285 1 15 . 1 1 8 8 CYS N N 8 118.452 118.452 119.885 -1.433 18801 7286 1 15 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.182 0.573 18801 7287 1 15 . 1 1 8 8 CYS C C 8 181.803 181.803 172.481 9.322 18801 7288 1 15 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.697 -4.096 18801 7289 1 15 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.675 -0.090 18801 7290 1 15 . 1 1 8 8 CYS H H 8 7.243 7.243 8.489 -1.246 18801 7291 1 15 . 1 1 9 9 SER N N 9 115.559 115.559 115.078 0.481 18801 7292 1 15 . 1 1 9 9 SER HA H 9 5.777 5.777 5.344 0.433 18801 7293 1 15 . 1 1 9 9 SER C C 9 181.609 181.609 173.458 8.151 18801 7294 1 15 . 1 1 9 9 SER CA C 9 53.256 53.256 56.653 -3.397 18801 7295 1 15 . 1 1 9 9 SER CB C 9 64.431 64.431 65.781 -1.350 18801 7296 1 15 . 1 1 9 9 SER H H 9 9.148 9.148 8.543 0.605 18801 7297 1 15 . 1 1 10 10 HIS N N 10 119.227 119.227 113.234 5.993 18801 7298 1 15 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.273 1.218 18801 7299 1 15 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.865 -4.622 18801 7300 1 15 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.187 2.461 18801 7301 1 15 . 1 1 10 10 HIS H H 10 9.626 9.626 8.922 0.704 18801 7302 1 15 . 1 1 11 11 ILE N N 11 121.859 121.859 121.157 0.702 18801 7303 1 15 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.459 -1.051 18801 7304 1 15 . 1 1 11 11 ILE C C 11 182.235 182.235 174.179 8.056 18801 7305 1 15 . 1 1 11 11 ILE CA C 11 58.608 58.608 59.903 -1.295 18801 7306 1 15 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.971 -3.413 18801 7307 1 15 . 1 1 11 11 ILE H H 11 8.978 8.978 8.874 0.104 18801 7308 1 15 . 1 1 12 12 LEU N N 12 128.789 128.789 127.836 0.953 18801 7309 1 15 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.401 -0.353 18801 7310 1 15 . 1 1 12 12 LEU C C 12 180.111 180.111 176.476 3.635 18801 7311 1 15 . 1 1 12 12 LEU CA C 12 49.529 49.529 52.963 -3.434 18801 7312 1 15 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.295 -1.021 18801 7313 1 15 . 1 1 12 12 LEU H H 12 7.659 7.659 8.039 -0.380 18801 7314 1 15 . 1 1 13 13 VAL N N 13 117.652 117.652 118.779 -1.127 18801 7315 1 15 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.911 0.012 18801 7316 1 15 . 1 1 13 13 VAL C C 13 178.956 178.956 175.388 3.568 18801 7317 1 15 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.612 -3.256 18801 7318 1 15 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.469 -2.224 18801 7319 1 15 . 1 1 13 13 VAL H H 13 8.916 8.916 7.721 1.195 18801 7320 1 15 . 1 1 14 14 SER N N 14 115.236 115.236 113.547 1.689 18801 7321 1 15 . 1 1 14 14 SER HA H 14 4.591 4.591 4.575 0.016 18801 7322 1 15 . 1 1 14 14 SER C C 14 179.440 179.440 174.132 5.308 18801 7323 1 15 . 1 1 14 14 SER CA C 14 58.302 58.302 58.717 -0.415 18801 7324 1 15 . 1 1 14 14 SER CB C 14 61.585 61.585 63.880 -2.295 18801 7325 1 15 . 1 1 14 14 SER H H 14 8.799 8.799 8.355 0.444 18801 7326 1 15 . 1 1 15 15 LYS N N 15 117.100 117.100 119.540 -2.440 18801 7327 1 15 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.801 0.012 18801 7328 1 15 . 1 1 15 15 LYS C C 15 178.183 178.183 176.271 1.912 18801 7329 1 15 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.133 -3.335 18801 7330 1 15 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.842 -1.886 18801 7331 1 15 . 1 1 15 15 LYS H H 15 7.749 7.749 7.635 0.114 18801 7332 1 15 . 1 1 16 16 GLN N N 16 126.339 126.339 121.944 4.395 18801 7333 1 15 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.598 -1.053 18801 7334 1 15 . 1 1 16 16 GLN C C 16 176.604 176.604 178.013 -1.409 18801 7335 1 15 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.917 -2.478 18801 7336 1 15 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.338 -3.574 18801 7337 1 15 . 1 1 16 16 GLN H H 16 8.810 8.810 9.125 -0.315 18801 7338 1 15 . 1 1 17 17 SER N N 17 112.691 112.691 113.074 -0.383 18801 7339 1 15 . 1 1 17 17 SER HA H 17 3.841 3.841 4.188 -0.347 18801 7340 1 15 . 1 1 17 17 SER C C 17 176.880 176.880 175.274 1.606 18801 7341 1 15 . 1 1 17 17 SER CA C 17 58.169 58.169 60.462 -2.293 18801 7342 1 15 . 1 1 17 17 SER CB C 17 58.144 58.144 62.656 -4.512 18801 7343 1 15 . 1 1 17 17 SER H H 17 8.637 8.637 8.500 0.137 18801 7344 1 15 . 1 1 18 18 GLU N N 18 122.640 122.640 120.262 2.378 18801 7345 1 15 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.230 -0.186 18801 7346 1 15 . 1 1 18 18 GLU C C 18 176.035 176.035 177.868 -1.833 18801 7347 1 15 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.946 -2.895 18801 7348 1 15 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.444 -3.541 18801 7349 1 15 . 1 1 18 18 GLU H H 18 6.560 6.560 7.634 -1.074 18801 7350 1 15 . 1 1 19 19 ALA N N 19 122.963 122.963 122.502 0.461 18801 7351 1 15 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.099 -0.294 18801 7352 1 15 . 1 1 19 19 ALA C C 19 175.728 175.728 179.880 -4.152 18801 7353 1 15 . 1 1 19 19 ALA CA C 19 51.950 51.950 55.003 -3.053 18801 7354 1 15 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.712 -4.222 18801 7355 1 15 . 1 1 19 19 ALA H H 19 7.435 7.435 7.655 -0.220 18801 7356 1 15 . 1 1 20 20 LEU N N 20 117.683 117.683 119.603 -1.920 18801 7357 1 15 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.072 -0.171 18801 7358 1 15 . 1 1 20 20 LEU C C 20 174.983 174.983 178.476 -3.493 18801 7359 1 15 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.898 -1.889 18801 7360 1 15 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.932 -3.091 18801 7361 1 15 . 1 1 20 20 LEU H H 20 8.204 8.204 8.294 -0.090 18801 7362 1 15 . 1 1 21 21 ALA N N 21 122.191 122.191 122.732 -0.541 18801 7363 1 15 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.268 -0.124 18801 7364 1 15 . 1 1 21 21 ALA C C 21 173.510 173.510 179.019 -5.509 18801 7365 1 15 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.758 -2.672 18801 7366 1 15 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.834 -2.972 18801 7367 1 15 . 1 1 21 21 ALA H H 21 7.432 7.432 8.010 -0.578 18801 7368 1 15 . 1 1 22 22 ILE N N 22 120.079 120.079 117.084 2.995 18801 7369 1 15 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.789 -0.386 18801 7370 1 15 . 1 1 22 22 ILE C C 22 177.128 177.128 177.225 -0.097 18801 7371 1 15 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.005 -0.727 18801 7372 1 15 . 1 1 22 22 ILE CB C 22 34.307 34.307 36.917 -2.610 18801 7373 1 15 . 1 1 22 22 ILE H H 22 7.649 7.649 7.522 0.127 18801 7374 1 15 . 1 1 23 23 MET N N 23 118.682 118.682 116.238 2.444 18801 7375 1 15 . 1 1 23 23 MET HA H 23 4.260 4.260 4.463 -0.203 18801 7376 1 15 . 1 1 23 23 MET C C 23 175.086 175.086 176.967 -1.881 18801 7377 1 15 . 1 1 23 23 MET CA C 23 54.737 54.737 57.883 -3.146 18801 7378 1 15 . 1 1 23 23 MET CB C 23 27.240 27.240 33.224 -5.984 18801 7379 1 15 . 1 1 23 23 MET H H 23 8.008 8.008 7.538 0.470 18801 7380 1 15 . 1 1 24 24 GLU N N 24 118.261 118.261 118.638 -0.377 18801 7381 1 15 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.247 -0.242 18801 7382 1 15 . 1 1 24 24 GLU C C 24 175.157 175.157 177.665 -2.508 18801 7383 1 15 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.119 -1.656 18801 7384 1 15 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.072 -3.821 18801 7385 1 15 . 1 1 24 24 GLU H H 24 7.527 7.527 7.707 -0.180 18801 7386 1 15 . 1 1 25 25 LYS N N 25 121.138 121.138 117.809 3.329 18801 7387 1 15 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.366 -0.357 18801 7388 1 15 . 1 1 25 25 LYS C C 25 174.603 174.603 178.558 -3.955 18801 7389 1 15 . 1 1 25 25 LYS CA C 25 56.861 56.861 57.212 -0.351 18801 7390 1 15 . 1 1 25 25 LYS CB C 25 29.809 29.809 33.270 -3.462 18801 7391 1 15 . 1 1 25 25 LYS H H 25 7.645 7.645 8.121 -0.476 18801 7392 1 15 . 1 1 26 26 LEU N N 26 121.410 121.410 119.216 2.194 18801 7393 1 15 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.075 0.106 18801 7394 1 15 . 1 1 26 26 LEU C C 26 172.921 172.921 178.684 -5.763 18801 7395 1 15 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.289 -2.382 18801 7396 1 15 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.420 -2.915 18801 7397 1 15 . 1 1 26 26 LEU H H 26 8.617 8.617 7.676 0.941 18801 7398 1 15 . 1 1 27 27 LYS N N 27 121.975 121.975 119.239 2.736 18801 7399 1 15 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.018 0.005 18801 7400 1 15 . 1 1 27 27 LYS C C 27 176.493 176.493 177.687 -1.194 18801 7401 1 15 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.795 -2.183 18801 7402 1 15 . 1 1 27 27 LYS CB C 27 29.258 29.258 31.674 -2.416 18801 7403 1 15 . 1 1 27 27 LYS H H 27 8.239 8.239 7.967 0.272 18801 7404 1 15 . 1 1 28 28 SER N N 28 113.123 113.123 113.676 -0.553 18801 7405 1 15 . 1 1 28 28 SER HA H 28 4.472 4.472 4.378 0.094 18801 7406 1 15 . 1 1 28 28 SER C C 28 180.378 180.378 175.007 5.371 18801 7407 1 15 . 1 1 28 28 SER CA C 28 56.232 56.232 58.855 -2.623 18801 7408 1 15 . 1 1 28 28 SER CB C 28 60.798 60.798 64.088 -3.290 18801 7409 1 15 . 1 1 28 28 SER H H 28 7.620 7.620 7.858 -0.238 18801 7410 1 15 . 1 1 29 29 GLY N N 29 107.497 107.497 108.409 -0.912 18801 7411 1 15 . 1 1 29 29 GLY C C 29 179.552 179.552 173.661 5.891 18801 7412 1 15 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.404 -2.356 18801 7413 1 15 . 1 1 29 29 GLY H H 29 7.667 7.667 7.814 -0.147 18801 7414 1 15 . 1 1 30 30 GLU N N 30 121.320 121.320 118.898 2.422 18801 7415 1 15 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.383 -0.160 18801 7416 1 15 . 1 1 30 30 GLU C C 30 178.900 178.900 175.701 3.199 18801 7417 1 15 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.899 -1.697 18801 7418 1 15 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.543 -3.462 18801 7419 1 15 . 1 1 30 30 GLU H H 30 7.690 7.690 7.827 -0.137 18801 7420 1 15 . 1 1 31 31 LYS N N 31 122.239 122.239 120.071 2.168 18801 7421 1 15 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.650 -0.419 18801 7422 1 15 . 1 1 31 31 LYS C C 31 177.152 177.152 176.355 0.797 18801 7423 1 15 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.481 -1.147 18801 7424 1 15 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.439 -3.303 18801 7425 1 15 . 1 1 31 31 LYS H H 31 8.793 8.793 8.298 0.495 18801 7426 1 15 . 1 1 32 32 PHE N N 32 126.167 126.167 126.366 -0.199 18801 7427 1 15 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.210 -0.575 18801 7428 1 15 . 1 1 32 32 PHE C C 32 177.437 177.437 177.067 0.370 18801 7429 1 15 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.017 -1.935 18801 7430 1 15 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.580 -2.054 18801 7431 1 15 . 1 1 32 32 PHE H H 32 9.002 9.002 9.153 -0.151 18801 7432 1 15 . 1 1 33 33 GLY N N 33 103.648 103.648 106.898 -3.250 18801 7433 1 15 . 1 1 33 33 GLY C C 33 179.280 179.280 175.949 3.331 18801 7434 1 15 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.960 -2.801 18801 7435 1 15 . 1 1 33 33 GLY H H 33 9.168 9.168 8.750 0.418 18801 7436 1 15 . 1 1 34 34 LYS N N 34 120.972 120.972 120.022 0.950 18801 7437 1 15 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.065 -0.095 18801 7438 1 15 . 1 1 34 34 LYS C C 34 176.326 176.326 177.625 -1.299 18801 7439 1 15 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.919 -2.677 18801 7440 1 15 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.065 -1.730 18801 7441 1 15 . 1 1 34 34 LYS H H 34 6.642 6.642 7.604 -0.962 18801 7442 1 15 . 1 1 35 35 LEU N N 35 118.154 118.154 116.762 1.392 18801 7443 1 15 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.399 -0.496 18801 7444 1 15 . 1 1 35 35 LEU C C 35 175.872 175.872 177.925 -2.053 18801 7445 1 15 . 1 1 35 35 LEU CA C 35 54.492 54.492 56.016 -1.524 18801 7446 1 15 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.480 -3.710 18801 7447 1 15 . 1 1 35 35 LEU H H 35 7.425 7.425 7.335 0.090 18801 7448 1 15 . 1 1 36 36 ALA N N 36 120.438 120.438 121.978 -1.540 18801 7449 1 15 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.997 -0.307 18801 7450 1 15 . 1 1 36 36 ALA C C 36 176.117 176.117 178.438 -2.321 18801 7451 1 15 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.831 -2.257 18801 7452 1 15 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.415 -3.683 18801 7453 1 15 . 1 1 36 36 ALA H H 36 8.229 8.229 8.140 0.089 18801 7454 1 15 . 1 1 37 37 LYS N N 37 116.463 116.463 112.987 3.476 18801 7455 1 15 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.478 -0.431 18801 7456 1 15 . 1 1 37 37 LYS C C 37 175.232 175.232 176.605 -1.373 18801 7457 1 15 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.250 -0.832 18801 7458 1 15 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.465 -2.508 18801 7459 1 15 . 1 1 37 37 LYS H H 37 7.568 7.568 8.020 -0.452 18801 7460 1 15 . 1 1 38 38 GLU N N 38 115.319 115.319 118.441 -3.122 18801 7461 1 15 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.435 -0.401 18801 7462 1 15 . 1 1 38 38 GLU C C 38 176.423 176.423 177.094 -0.671 18801 7463 1 15 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.806 -1.037 18801 7464 1 15 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.476 -3.187 18801 7465 1 15 . 1 1 38 38 GLU H H 38 7.766 7.766 7.549 0.217 18801 7466 1 15 . 1 1 39 39 LEU N N 39 114.689 114.689 120.005 -5.316 18801 7467 1 15 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.109 0.386 18801 7468 1 15 . 1 1 39 39 LEU C C 39 177.452 177.452 177.861 -0.409 18801 7469 1 15 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.743 -4.698 18801 7470 1 15 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.438 -0.618 18801 7471 1 15 . 1 1 39 39 LEU H H 39 8.214 8.214 8.126 0.088 18801 7472 1 15 . 1 1 40 40 SER N N 40 110.112 110.112 113.748 -3.636 18801 7473 1 15 . 1 1 40 40 SER HA H 40 4.617 4.617 4.422 0.195 18801 7474 1 15 . 1 1 40 40 SER C C 40 177.179 177.179 175.852 1.327 18801 7475 1 15 . 1 1 40 40 SER CA C 40 54.102 54.102 59.459 -5.357 18801 7476 1 15 . 1 1 40 40 SER CB C 40 62.559 62.559 62.440 0.119 18801 7477 1 15 . 1 1 40 40 SER H H 40 7.848 7.848 7.467 0.381 18801 7478 1 15 . 1 1 41 41 ILE N N 41 119.941 119.941 120.414 -0.473 18801 7479 1 15 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.014 0.356 18801 7480 1 15 . 1 1 41 41 ILE C C 41 178.010 178.010 175.793 2.217 18801 7481 1 15 . 1 1 41 41 ILE CA C 41 58.878 58.878 62.196 -3.318 18801 7482 1 15 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.173 -3.828 18801 7483 1 15 . 1 1 41 41 ILE H H 41 9.126 9.126 8.217 0.909 18801 7484 1 15 . 1 1 42 42 ASP N N 42 120.547 120.547 121.070 -0.523 18801 7485 1 15 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.511 0.322 18801 7486 1 15 . 1 1 42 42 ASP C C 42 179.215 179.215 177.812 1.403 18801 7487 1 15 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.186 -4.868 18801 7488 1 15 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.264 -4.048 18801 7489 1 15 . 1 1 42 42 ASP H H 42 7.476 7.476 7.850 -0.374 18801 7490 1 15 . 1 1 43 43 SER N N 43 122.805 122.805 123.512 -0.707 18801 7491 1 15 . 1 1 43 43 SER HA H 43 4.115 4.115 4.217 -0.102 18801 7492 1 15 . 1 1 43 43 SER C C 43 178.349 178.349 175.625 2.724 18801 7493 1 15 . 1 1 43 43 SER CA C 43 58.425 58.425 60.630 -2.205 18801 7494 1 15 . 1 1 43 43 SER CB C 43 59.904 59.904 63.032 -3.128 18801 7495 1 15 . 1 1 43 43 SER H H 43 8.215 8.215 8.644 -0.429 18801 7496 1 15 . 1 1 44 44 GLY N N 44 107.974 107.974 107.435 0.539 18801 7497 1 15 . 1 1 44 44 GLY C C 44 179.677 179.677 174.445 5.232 18801 7498 1 15 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.814 -1.003 18801 7499 1 15 . 1 1 44 44 GLY H H 44 8.384 8.384 8.396 -0.012 18801 7500 1 15 . 1 1 45 45 SER N N 45 110.539 110.539 114.323 -3.784 18801 7501 1 15 . 1 1 45 45 SER HA H 45 4.493 4.493 4.594 -0.101 18801 7502 1 15 . 1 1 45 45 SER C C 45 176.530 176.530 173.600 2.930 18801 7503 1 15 . 1 1 45 45 SER CA C 45 56.718 56.718 58.352 -1.634 18801 7504 1 15 . 1 1 45 45 SER CB C 45 62.291 62.291 65.109 -2.818 18801 7505 1 15 . 1 1 45 45 SER H H 45 7.177 7.177 7.941 -0.764 18801 7506 1 15 . 1 1 46 46 ALA N N 46 132.579 132.579 124.125 8.454 18801 7507 1 15 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.853 -1.115 18801 7508 1 15 . 1 1 46 46 ALA C C 46 175.404 175.404 177.680 -2.276 18801 7509 1 15 . 1 1 46 46 ALA CA C 46 54.187 54.187 52.718 1.469 18801 7510 1 15 . 1 1 46 46 ALA CB C 46 15.937 15.937 19.316 -3.379 18801 7511 1 15 . 1 1 46 46 ALA H H 46 8.726 8.726 7.536 1.190 18801 7512 1 15 . 1 1 47 47 LYS N N 47 111.990 111.990 117.912 -5.922 18801 7513 1 15 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.241 -0.134 18801 7514 1 15 . 1 1 47 47 LYS C C 47 177.450 177.450 176.017 1.433 18801 7515 1 15 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.447 -2.338 18801 7516 1 15 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.728 -3.879 18801 7517 1 15 . 1 1 47 47 LYS H H 47 7.668 7.668 8.278 -0.610 18801 7518 1 15 . 1 1 48 48 LYS N N 48 118.900 118.900 116.755 2.145 18801 7519 1 15 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.499 0.104 18801 7520 1 15 . 1 1 48 48 LYS C C 48 177.786 177.786 175.531 2.255 18801 7521 1 15 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.697 -3.183 18801 7522 1 15 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.357 -2.899 18801 7523 1 15 . 1 1 48 48 LYS H H 48 7.382 7.382 7.823 -0.441 18801 7524 1 15 . 1 1 49 49 ASN N N 49 115.995 115.995 117.788 -1.793 18801 7525 1 15 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.332 -0.074 18801 7526 1 15 . 1 1 49 49 ASN C C 49 180.354 180.354 176.012 4.342 18801 7527 1 15 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.151 -1.737 18801 7528 1 15 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.861 -4.538 18801 7529 1 15 . 1 1 49 49 ASN H H 49 8.021 8.021 8.773 -0.752 18801 7530 1 15 . 1 1 50 50 GLY N N 50 104.621 104.621 103.402 1.219 18801 7531 1 15 . 1 1 50 50 GLY C C 50 180.665 180.665 173.200 7.465 18801 7532 1 15 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.706 -3.173 18801 7533 1 15 . 1 1 50 50 GLY H H 50 8.512 8.512 8.356 0.156 18801 7534 1 15 . 1 1 51 51 ASN N N 51 118.054 118.054 118.721 -0.667 18801 7535 1 15 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.604 0.195 18801 7536 1 15 . 1 1 51 51 ASN C C 51 179.848 179.848 175.234 4.614 18801 7537 1 15 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.943 0.150 18801 7538 1 15 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.452 -2.655 18801 7539 1 15 . 1 1 51 51 ASN H H 51 7.146 7.146 8.148 -1.002 18801 7540 1 15 . 1 1 52 52 LEU N N 52 126.673 126.673 120.356 6.317 18801 7541 1 15 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.329 -0.009 18801 7542 1 15 . 1 1 52 52 LEU C C 52 176.682 176.682 177.172 -0.490 18801 7543 1 15 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.264 -3.823 18801 7544 1 15 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.780 -1.318 18801 7545 1 15 . 1 1 52 52 LEU H H 52 8.607 8.607 7.840 0.767 18801 7546 1 15 . 1 1 53 53 GLY N N 53 108.525 108.525 106.921 1.604 18801 7547 1 15 . 1 1 53 53 GLY C C 53 182.708 182.708 173.777 8.931 18801 7548 1 15 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.338 -3.736 18801 7549 1 15 . 1 1 53 53 GLY H H 53 8.121 8.121 7.433 0.688 18801 7550 1 15 . 1 1 54 54 TYR N N 54 114.992 114.992 122.964 -7.972 18801 7551 1 15 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.208 -0.026 18801 7552 1 15 . 1 1 54 54 TYR C C 54 176.195 176.195 176.502 -0.307 18801 7553 1 15 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.638 -2.612 18801 7554 1 15 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.585 -2.190 18801 7555 1 15 . 1 1 54 54 TYR H H 54 8.187 8.187 8.464 -0.277 18801 7556 1 15 . 1 1 55 55 PHE N N 55 118.041 118.041 122.152 -4.111 18801 7557 1 15 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.008 0.095 18801 7558 1 15 . 1 1 55 55 PHE C C 55 181.875 181.875 173.492 8.383 18801 7559 1 15 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.001 -3.076 18801 7560 1 15 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.225 -3.058 18801 7561 1 15 . 1 1 55 55 PHE H H 55 9.093 9.093 8.583 0.510 18801 7562 1 15 . 1 1 56 56 THR N N 56 109.577 109.577 108.797 0.780 18801 7563 1 15 . 1 1 56 56 THR HA H 56 5.267 5.267 3.980 1.287 18801 7564 1 15 . 1 1 56 56 THR C C 56 178.403 178.403 173.576 4.827 18801 7565 1 15 . 1 1 56 56 THR CA C 56 56.522 56.522 60.477 -3.955 18801 7566 1 15 . 1 1 56 56 THR CB C 56 69.673 69.673 71.484 -1.811 18801 7567 1 15 . 1 1 56 56 THR H H 56 7.949 7.949 7.849 0.100 18801 7568 1 15 . 1 1 57 57 LYS N N 57 121.639 121.639 121.266 0.373 18801 7569 1 15 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.404 -0.409 18801 7570 1 15 . 1 1 57 57 LYS C C 57 176.706 176.706 176.934 -0.228 18801 7571 1 15 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.142 -1.446 18801 7572 1 15 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.860 -2.476 18801 7573 1 15 . 1 1 57 57 LYS H H 57 8.703 8.703 8.627 0.076 18801 7574 1 15 . 1 1 58 58 GLY N N 58 114.416 114.416 112.656 1.760 18801 7575 1 15 . 1 1 58 58 GLY C C 58 180.079 180.079 174.812 5.267 18801 7576 1 15 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.143 -2.784 18801 7577 1 15 . 1 1 58 58 GLY H H 58 10.495 10.495 9.022 1.473 18801 7578 1 15 . 1 1 59 59 MET N N 59 118.231 118.231 118.380 -0.149 18801 7579 1 15 . 1 1 59 59 MET HA H 59 4.366 4.366 4.640 -0.274 18801 7580 1 15 . 1 1 59 59 MET C C 59 178.798 178.798 175.900 2.898 18801 7581 1 15 . 1 1 59 59 MET CA C 59 55.129 55.129 55.928 -0.799 18801 7582 1 15 . 1 1 59 59 MET CB C 59 32.196 32.196 33.623 -1.427 18801 7583 1 15 . 1 1 59 59 MET H H 59 7.681 7.681 8.021 -0.340 18801 7584 1 15 . 1 1 60 60 MET N N 60 118.667 118.667 117.734 0.933 18801 7585 1 15 . 1 1 60 60 MET HA H 60 4.629 4.629 4.828 -0.199 18801 7586 1 15 . 1 1 60 60 MET C C 60 178.834 178.834 174.804 4.030 18801 7587 1 15 . 1 1 60 60 MET CA C 60 49.108 49.108 53.924 -4.816 18801 7588 1 15 . 1 1 60 60 MET CB C 60 30.952 30.952 35.379 -4.427 18801 7589 1 15 . 1 1 60 60 MET H H 60 8.905 8.905 7.870 1.035 18801 7590 1 15 . 1 1 61 61 VAL N N 61 114.198 114.198 115.952 -1.754 18801 7591 1 15 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.586 -0.430 18801 7592 1 15 . 1 1 61 61 VAL C C 61 176.731 176.731 176.539 0.192 18801 7593 1 15 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.029 -0.664 18801 7594 1 15 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.940 -4.259 18801 7595 1 15 . 1 1 61 61 VAL H H 61 8.062 8.062 7.990 0.072 18801 7596 1 15 . 1 1 62 62 LYS N N 62 124.862 124.862 122.688 2.174 18801 7597 1 15 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.210 -0.061 18801 7598 1 15 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.191 -0.945 18801 7599 1 15 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.330 -3.180 18801 7600 1 15 . 1 1 62 62 LYS H H 62 8.736 8.736 8.889 -0.153 18801 7601 1 15 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.486 -0.088 18801 7602 1 15 . 1 1 63 63 PRO C C 63 174.841 174.841 175.490 -0.649 18801 7603 1 15 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.343 -0.414 18801 7604 1 15 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.745 -1.518 18801 7605 1 15 . 1 1 64 64 PHE N N 64 115.340 115.340 119.850 -4.510 18801 7606 1 15 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.359 -0.725 18801 7607 1 15 . 1 1 64 64 PHE C C 64 178.782 178.782 174.371 4.411 18801 7608 1 15 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.947 -2.254 18801 7609 1 15 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.428 -3.154 18801 7610 1 15 . 1 1 64 64 PHE H H 64 6.870 6.870 8.148 -1.278 18801 7611 1 15 . 1 1 65 65 GLU N N 65 120.356 120.356 120.590 -0.234 18801 7612 1 15 . 1 1 65 65 GLU HA H 65 3.952 3.952 3.990 -0.038 18801 7613 1 15 . 1 1 65 65 GLU C C 65 177.209 177.209 177.963 -0.754 18801 7614 1 15 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.495 -1.711 18801 7615 1 15 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.054 -1.965 18801 7616 1 15 . 1 1 65 65 GLU H H 65 8.429 8.429 8.421 0.008 18801 7617 1 15 . 1 1 66 66 ASP N N 66 117.560 117.560 119.774 -2.214 18801 7618 1 15 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.244 0.059 18801 7619 1 15 . 1 1 66 66 ASP C C 66 176.337 176.337 176.623 -0.286 18801 7620 1 15 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.797 -2.770 18801 7621 1 15 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.674 -3.152 18801 7622 1 15 . 1 1 66 66 ASP H H 66 8.925 8.925 7.718 1.207 18801 7623 1 15 . 1 1 67 67 ALA N N 67 117.959 117.959 118.936 -0.977 18801 7624 1 15 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.163 -0.038 18801 7625 1 15 . 1 1 67 67 ALA C C 67 174.155 174.155 176.147 -1.992 18801 7626 1 15 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.339 -0.232 18801 7627 1 15 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.689 -0.467 18801 7628 1 15 . 1 1 67 67 ALA H H 67 6.805 6.805 7.187 -0.382 18801 7629 1 15 . 1 1 68 68 ALA N N 68 120.884 120.884 120.600 0.284 18801 7630 1 15 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.035 -0.362 18801 7631 1 15 . 1 1 68 68 ALA C C 68 175.535 175.535 176.477 -0.942 18801 7632 1 15 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.375 -0.051 18801 7633 1 15 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.639 -4.684 18801 7634 1 15 . 1 1 68 68 ALA H H 68 8.836 8.836 6.934 1.902 18801 7635 1 15 . 1 1 69 69 PHE N N 69 110.173 110.173 112.005 -1.832 18801 7636 1 15 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.896 -0.894 18801 7637 1 15 . 1 1 69 69 PHE C C 69 178.751 178.751 175.570 3.181 18801 7638 1 15 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.097 2.383 18801 7639 1 15 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.734 -4.906 18801 7640 1 15 . 1 1 69 69 PHE H H 69 8.087 8.087 6.801 1.286 18801 7641 1 15 . 1 1 70 70 LYS N N 70 116.963 116.963 120.340 -3.377 18801 7642 1 15 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.389 -0.011 18801 7643 1 15 . 1 1 70 70 LYS C C 70 177.534 177.534 175.964 1.570 18801 7644 1 15 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.940 -3.338 18801 7645 1 15 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.282 -1.177 18801 7646 1 15 . 1 1 70 70 LYS H H 70 6.997 6.997 8.208 -1.211 18801 7647 1 15 . 1 1 71 71 LEU N N 71 118.952 118.952 118.984 -0.032 18801 7648 1 15 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.437 -0.243 18801 7649 1 15 . 1 1 71 71 LEU C C 71 176.388 176.388 176.559 -0.171 18801 7650 1 15 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.261 -1.290 18801 7651 1 15 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.502 -2.559 18801 7652 1 15 . 1 1 71 71 LEU H H 71 6.933 6.933 7.385 -0.452 18801 7653 1 15 . 1 1 72 72 GLN N N 72 121.738 121.738 119.298 2.440 18801 7654 1 15 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.473 -0.153 18801 7655 1 15 . 1 1 72 72 GLN C C 72 177.973 177.973 175.129 2.844 18801 7656 1 15 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.642 -3.420 18801 7657 1 15 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.476 -4.870 18801 7658 1 15 . 1 1 72 72 GLN H H 72 9.040 9.040 8.209 0.831 18801 7659 1 15 . 1 1 73 73 VAL N N 73 122.076 122.076 121.414 0.662 18801 7660 1 15 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.905 -1.074 18801 7661 1 15 . 1 1 73 73 VAL C C 73 177.702 177.702 175.951 1.751 18801 7662 1 15 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.011 0.387 18801 7663 1 15 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.693 -3.235 18801 7664 1 15 . 1 1 73 73 VAL H H 73 8.759 8.759 8.349 0.410 18801 7665 1 15 . 1 1 74 74 GLY N N 74 117.298 117.298 115.803 1.495 18801 7666 1 15 . 1 1 74 74 GLY C C 74 181.597 181.597 173.351 8.246 18801 7667 1 15 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.696 -2.837 18801 7668 1 15 . 1 1 74 74 GLY H H 74 8.626 8.626 8.226 0.400 18801 7669 1 15 . 1 1 75 75 GLU N N 75 122.135 122.135 120.495 1.640 18801 7670 1 15 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.693 -0.557 18801 7671 1 15 . 1 1 75 75 GLU C C 75 180.891 180.891 175.671 5.220 18801 7672 1 15 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.327 -0.964 18801 7673 1 15 . 1 1 75 75 GLU CB C 75 29.409 29.409 31.846 -2.437 18801 7674 1 15 . 1 1 75 75 GLU H H 75 7.877 7.877 8.056 -0.179 18801 7675 1 15 . 1 1 76 76 VAL N N 76 121.950 121.950 125.395 -3.445 18801 7676 1 15 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.374 0.566 18801 7677 1 15 . 1 1 76 76 VAL C C 76 177.920 177.920 176.253 1.667 18801 7678 1 15 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.040 -5.109 18801 7679 1 15 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.224 -1.183 18801 7680 1 15 . 1 1 76 76 VAL H H 76 7.877 7.877 8.560 -0.683 18801 7681 1 15 . 1 1 77 77 SER N N 77 125.434 125.434 122.632 2.802 18801 7682 1 15 . 1 1 77 77 SER HA H 77 4.275 4.275 4.522 -0.247 18801 7683 1 15 . 1 1 77 77 SER C C 77 181.544 181.544 173.949 7.595 18801 7684 1 15 . 1 1 77 77 SER CA C 77 56.028 56.028 58.406 -2.378 18801 7685 1 15 . 1 1 77 77 SER CB C 77 62.729 62.729 64.466 -1.738 18801 7686 1 15 . 1 1 77 77 SER H H 77 9.611 9.611 9.080 0.531 18801 7687 1 15 . 1 1 78 78 GLU N N 78 114.680 114.680 117.555 -2.875 18801 7688 1 15 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.731 -0.120 18801 7689 1 15 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.084 -0.338 18801 7690 1 15 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.727 -4.223 18801 7691 1 15 . 1 1 78 78 GLU H H 78 7.589 7.589 8.531 -0.942 18801 7692 1 15 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.541 0.189 18801 7693 1 15 . 1 1 79 79 PRO C C 79 177.642 177.642 175.768 1.874 18801 7694 1 15 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.805 -2.327 18801 7695 1 15 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.711 -2.411 18801 7696 1 15 . 1 1 80 80 ILE N N 80 127.418 127.418 124.963 2.455 18801 7697 1 15 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.108 0.392 18801 7698 1 15 . 1 1 80 80 ILE C C 80 179.315 179.315 175.967 3.348 18801 7699 1 15 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.790 -5.082 18801 7700 1 15 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.214 -0.096 18801 7701 1 15 . 1 1 80 80 ILE H H 80 9.614 9.614 8.069 1.545 18801 7702 1 15 . 1 1 81 81 LYS N N 81 129.156 129.156 130.260 -1.104 18801 7703 1 15 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.180 0.096 18801 7704 1 15 . 1 1 81 81 LYS C C 81 179.186 179.186 175.608 3.578 18801 7705 1 15 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.773 -3.893 18801 7706 1 15 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.224 -1.419 18801 7707 1 15 . 1 1 81 81 LYS H H 81 8.637 8.637 8.811 -0.174 18801 7708 1 15 . 1 1 82 82 SER N N 82 125.346 125.346 122.631 2.715 18801 7709 1 15 . 1 1 82 82 SER HA H 82 4.836 4.836 4.779 0.057 18801 7710 1 15 . 1 1 82 82 SER C C 82 179.369 179.369 173.759 5.610 18801 7711 1 15 . 1 1 82 82 SER CA C 82 53.893 53.893 56.212 -2.319 18801 7712 1 15 . 1 1 82 82 SER CB C 82 64.579 64.579 66.171 -1.592 18801 7713 1 15 . 1 1 82 82 SER H H 82 9.532 9.532 8.150 1.382 18801 7714 1 15 . 1 1 83 83 GLU N N 83 118.760 118.760 119.986 -1.226 18801 7715 1 15 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.972 0.076 18801 7716 1 15 . 1 1 83 83 GLU C C 83 177.803 177.803 176.346 1.457 18801 7717 1 15 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.714 -3.356 18801 7718 1 15 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.139 -2.793 18801 7719 1 15 . 1 1 83 83 GLU H H 83 9.535 9.535 8.657 0.878 18801 7720 1 15 . 1 1 84 84 PHE N N 84 118.360 118.360 116.862 1.498 18801 7721 1 15 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.571 -0.043 18801 7722 1 15 . 1 1 84 84 PHE C C 84 179.367 179.367 175.642 3.725 18801 7723 1 15 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.466 -2.348 18801 7724 1 15 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.666 -2.630 18801 7725 1 15 . 1 1 84 84 PHE H H 84 8.803 8.803 8.014 0.789 18801 7726 1 15 . 1 1 85 85 GLY N N 85 107.365 107.365 106.068 1.297 18801 7727 1 15 . 1 1 85 85 GLY C C 85 184.805 184.805 173.116 11.689 18801 7728 1 15 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.291 -2.612 18801 7729 1 15 . 1 1 85 85 GLY H H 85 7.323 7.323 7.258 0.065 18801 7730 1 15 . 1 1 86 86 TYR N N 86 119.303 119.303 122.938 -3.635 18801 7731 1 15 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.699 0.296 18801 7732 1 15 . 1 1 86 86 TYR C C 86 180.178 180.178 175.851 4.327 18801 7733 1 15 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.425 -4.049 18801 7734 1 15 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.216 0.227 18801 7735 1 15 . 1 1 86 86 TYR H H 86 8.990 8.990 7.987 1.003 18801 7736 1 15 . 1 1 87 87 HIS N N 87 120.588 120.588 124.279 -3.691 18801 7737 1 15 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.250 0.281 18801 7738 1 15 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.798 -4.325 18801 7739 1 15 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.490 -3.311 18801 7740 1 15 . 1 1 87 87 HIS H H 87 9.791 9.791 8.642 1.149 18801 7741 1 15 . 1 1 88 88 ILE N N 88 122.986 122.986 127.695 -4.709 18801 7742 1 15 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.473 -0.428 18801 7743 1 15 . 1 1 88 88 ILE C C 88 179.375 179.375 175.496 3.879 18801 7744 1 15 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.810 0.412 18801 7745 1 15 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.529 0.824 18801 7746 1 15 . 1 1 88 88 ILE H H 88 9.161 9.161 8.361 0.800 18801 7747 1 15 . 1 1 89 89 ILE N N 89 128.220 128.220 128.587 -0.367 18801 7748 1 15 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.433 0.348 18801 7749 1 15 . 1 1 89 89 ILE C C 89 181.174 181.174 175.115 6.059 18801 7750 1 15 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.222 -3.494 18801 7751 1 15 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.545 0.051 18801 7752 1 15 . 1 1 89 89 ILE H H 89 8.568 8.568 8.230 0.338 18801 7753 1 15 . 1 1 90 90 LYS N N 90 125.284 125.284 127.227 -1.943 18801 7754 1 15 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.011 0.153 18801 7755 1 15 . 1 1 90 90 LYS C C 90 179.565 179.565 175.635 3.930 18801 7756 1 15 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.298 -2.927 18801 7757 1 15 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.619 -2.964 18801 7758 1 15 . 1 1 90 90 LYS H H 90 8.580 8.580 7.841 0.739 18801 7759 1 15 . 1 1 91 91 ARG N N 91 126.331 126.331 127.163 -0.832 18801 7760 1 15 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.419 0.598 18801 7761 1 15 . 1 1 91 91 ARG C C 91 179.376 179.376 175.457 3.919 18801 7762 1 15 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.535 -4.622 18801 7763 1 15 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.957 -3.395 18801 7764 1 15 . 1 1 91 91 ARG H H 91 7.641 7.641 8.175 -0.534 18801 7765 1 15 . 1 1 92 92 PHE N N 92 127.260 127.260 123.556 3.704 18801 7766 1 15 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.613 -0.107 18801 7767 1 15 . 1 1 92 92 PHE C C 92 179.492 179.492 176.606 2.886 18801 7768 1 15 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.019 -1.780 18801 7769 1 15 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.946 -1.340 18801 7770 1 15 . 1 1 92 92 PHE H H 92 9.044 9.044 8.135 0.909 18801 7771 1 16 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.554 -0.085 18801 7772 1 16 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.895 -2.646 18801 7773 1 16 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.036 -2.500 18801 7774 1 16 . 1 1 3 3 SER N N 3 116.356 116.356 120.974 -4.618 18801 7775 1 16 . 1 1 3 3 SER HA H 3 4.457 4.457 4.596 -0.139 18801 7776 1 16 . 1 1 3 3 SER CA C 3 55.255 55.255 57.588 -2.333 18801 7777 1 16 . 1 1 3 3 SER CB C 3 61.066 61.066 62.573 -1.507 18801 7778 1 16 . 1 1 3 3 SER H H 3 8.502 8.502 8.614 -0.112 18801 7779 1 16 . 1 1 4 4 ASN N N 4 120.863 120.863 121.425 -0.562 18801 7780 1 16 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.751 -0.055 18801 7781 1 16 . 1 1 4 4 ASN C C 4 180.499 180.499 174.213 6.286 18801 7782 1 16 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.326 -3.590 18801 7783 1 16 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.908 -4.107 18801 7784 1 16 . 1 1 4 4 ASN H H 4 8.463 8.463 8.182 0.281 18801 7785 1 16 . 1 1 5 5 LYS N N 5 119.444 119.444 117.153 2.291 18801 7786 1 16 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.163 -0.067 18801 7787 1 16 . 1 1 5 5 LYS C C 5 179.306 179.306 174.672 4.634 18801 7788 1 16 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.622 -2.673 18801 7789 1 16 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.199 -3.558 18801 7790 1 16 . 1 1 5 5 LYS H H 5 7.965 7.965 7.790 0.175 18801 7791 1 16 . 1 1 6 6 ILE N N 6 115.941 115.941 113.755 2.186 18801 7792 1 16 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.725 0.836 18801 7793 1 16 . 1 1 6 6 ILE C C 6 183.130 183.130 174.332 8.798 18801 7794 1 16 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.274 -2.556 18801 7795 1 16 . 1 1 6 6 ILE CB C 6 39.704 39.704 41.988 -2.284 18801 7796 1 16 . 1 1 6 6 ILE H H 6 8.133 8.133 7.889 0.244 18801 7797 1 16 . 1 1 7 7 LYS N N 7 122.265 122.265 123.060 -0.795 18801 7798 1 16 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.685 0.070 18801 7799 1 16 . 1 1 7 7 LYS C C 7 177.364 177.364 176.869 0.495 18801 7800 1 16 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.336 -6.108 18801 7801 1 16 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.289 -2.103 18801 7802 1 16 . 1 1 7 7 LYS H H 7 8.155 8.155 8.241 -0.086 18801 7803 1 16 . 1 1 8 8 CYS N N 8 118.452 118.452 119.687 -1.235 18801 7804 1 16 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.154 0.601 18801 7805 1 16 . 1 1 8 8 CYS C C 8 181.803 181.803 172.485 9.318 18801 7806 1 16 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.654 -4.054 18801 7807 1 16 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.583 0.002 18801 7808 1 16 . 1 1 8 8 CYS H H 8 7.243 7.243 8.511 -1.268 18801 7809 1 16 . 1 1 9 9 SER N N 9 115.559 115.559 114.878 0.681 18801 7810 1 16 . 1 1 9 9 SER HA H 9 5.777 5.777 5.399 0.378 18801 7811 1 16 . 1 1 9 9 SER C C 9 181.609 181.609 173.267 8.342 18801 7812 1 16 . 1 1 9 9 SER CA C 9 53.256 53.256 56.236 -2.979 18801 7813 1 16 . 1 1 9 9 SER CB C 9 64.431 64.431 65.753 -1.322 18801 7814 1 16 . 1 1 9 9 SER H H 9 9.148 9.148 8.381 0.767 18801 7815 1 16 . 1 1 10 10 HIS N N 10 119.227 119.227 113.380 5.847 18801 7816 1 16 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.370 1.121 18801 7817 1 16 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.947 -4.703 18801 7818 1 16 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.327 2.321 18801 7819 1 16 . 1 1 10 10 HIS H H 10 9.626 9.626 8.854 0.772 18801 7820 1 16 . 1 1 11 11 ILE N N 11 121.859 121.859 121.625 0.234 18801 7821 1 16 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.353 -0.945 18801 7822 1 16 . 1 1 11 11 ILE C C 11 182.235 182.235 174.217 8.018 18801 7823 1 16 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.177 -1.569 18801 7824 1 16 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.306 -2.749 18801 7825 1 16 . 1 1 11 11 ILE H H 11 8.978 8.978 8.905 0.073 18801 7826 1 16 . 1 1 12 12 LEU N N 12 128.789 128.789 128.281 0.508 18801 7827 1 16 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.368 -0.320 18801 7828 1 16 . 1 1 12 12 LEU C C 12 180.111 180.111 176.670 3.441 18801 7829 1 16 . 1 1 12 12 LEU CA C 12 49.529 49.529 52.971 -3.442 18801 7830 1 16 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.481 -1.207 18801 7831 1 16 . 1 1 12 12 LEU H H 12 7.659 7.659 8.029 -0.370 18801 7832 1 16 . 1 1 13 13 VAL N N 13 117.652 117.652 116.565 1.087 18801 7833 1 16 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.639 0.284 18801 7834 1 16 . 1 1 13 13 VAL C C 13 178.956 178.956 175.218 3.738 18801 7835 1 16 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.504 -4.148 18801 7836 1 16 . 1 1 13 13 VAL CB C 13 32.245 32.245 35.268 -3.023 18801 7837 1 16 . 1 1 13 13 VAL H H 13 8.916 8.916 7.862 1.054 18801 7838 1 16 . 1 1 14 14 SER N N 14 115.236 115.236 115.073 0.163 18801 7839 1 16 . 1 1 14 14 SER HA H 14 4.591 4.591 4.769 -0.178 18801 7840 1 16 . 1 1 14 14 SER C C 14 179.440 179.440 173.903 5.537 18801 7841 1 16 . 1 1 14 14 SER CA C 14 58.302 58.302 58.335 -0.033 18801 7842 1 16 . 1 1 14 14 SER CB C 14 61.585 61.585 63.963 -2.378 18801 7843 1 16 . 1 1 14 14 SER H H 14 8.799 8.799 8.516 0.283 18801 7844 1 16 . 1 1 15 15 LYS N N 15 117.100 117.100 120.519 -3.419 18801 7845 1 16 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.722 0.091 18801 7846 1 16 . 1 1 15 15 LYS C C 15 178.183 178.183 176.106 2.077 18801 7847 1 16 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.495 -3.697 18801 7848 1 16 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.533 -2.578 18801 7849 1 16 . 1 1 15 15 LYS H H 15 7.749 7.749 7.784 -0.035 18801 7850 1 16 . 1 1 16 16 GLN N N 16 126.339 126.339 122.881 3.458 18801 7851 1 16 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.396 -0.851 18801 7852 1 16 . 1 1 16 16 GLN C C 16 176.604 176.604 177.929 -1.325 18801 7853 1 16 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.224 -2.785 18801 7854 1 16 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.527 -3.763 18801 7855 1 16 . 1 1 16 16 GLN H H 16 8.810 8.810 9.001 -0.191 18801 7856 1 16 . 1 1 17 17 SER N N 17 112.691 112.691 112.882 -0.191 18801 7857 1 16 . 1 1 17 17 SER HA H 17 3.841 3.841 4.188 -0.347 18801 7858 1 16 . 1 1 17 17 SER C C 17 176.880 176.880 175.395 1.485 18801 7859 1 16 . 1 1 17 17 SER CA C 17 58.169 58.169 59.937 -1.768 18801 7860 1 16 . 1 1 17 17 SER CB C 17 58.144 58.144 62.507 -4.363 18801 7861 1 16 . 1 1 17 17 SER H H 17 8.637 8.637 8.539 0.098 18801 7862 1 16 . 1 1 18 18 GLU N N 18 122.640 122.640 120.437 2.203 18801 7863 1 16 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.218 -0.174 18801 7864 1 16 . 1 1 18 18 GLU C C 18 176.035 176.035 176.788 -0.753 18801 7865 1 16 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.762 -2.711 18801 7866 1 16 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.338 -3.435 18801 7867 1 16 . 1 1 18 18 GLU H H 18 6.560 6.560 7.432 -0.872 18801 7868 1 16 . 1 1 19 19 ALA N N 19 122.963 122.963 122.070 0.893 18801 7869 1 16 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.166 -0.361 18801 7870 1 16 . 1 1 19 19 ALA C C 19 175.728 175.728 179.281 -3.553 18801 7871 1 16 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.670 -2.720 18801 7872 1 16 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.310 -4.820 18801 7873 1 16 . 1 1 19 19 ALA H H 19 7.435 7.435 7.789 -0.354 18801 7874 1 16 . 1 1 20 20 LEU N N 20 117.683 117.683 120.181 -2.498 18801 7875 1 16 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.068 -0.167 18801 7876 1 16 . 1 1 20 20 LEU C C 20 174.983 174.983 178.238 -3.255 18801 7877 1 16 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.816 -1.808 18801 7878 1 16 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.030 -3.189 18801 7879 1 16 . 1 1 20 20 LEU H H 20 8.204 8.204 8.372 -0.168 18801 7880 1 16 . 1 1 21 21 ALA N N 21 122.191 122.191 121.477 0.714 18801 7881 1 16 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.072 0.072 18801 7882 1 16 . 1 1 21 21 ALA C C 21 173.510 173.510 178.508 -4.998 18801 7883 1 16 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.555 -2.469 18801 7884 1 16 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.817 -2.955 18801 7885 1 16 . 1 1 21 21 ALA H H 21 7.432 7.432 8.355 -0.923 18801 7886 1 16 . 1 1 22 22 ILE N N 22 120.079 120.079 118.425 1.654 18801 7887 1 16 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.813 -0.410 18801 7888 1 16 . 1 1 22 22 ILE C C 22 177.128 177.128 177.361 -0.233 18801 7889 1 16 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.382 -1.104 18801 7890 1 16 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.252 -2.945 18801 7891 1 16 . 1 1 22 22 ILE H H 22 7.649 7.649 7.431 0.218 18801 7892 1 16 . 1 1 23 23 MET N N 23 118.682 118.682 113.147 5.535 18801 7893 1 16 . 1 1 23 23 MET HA H 23 4.260 4.260 4.611 -0.351 18801 7894 1 16 . 1 1 23 23 MET C C 23 175.086 175.086 176.022 -0.936 18801 7895 1 16 . 1 1 23 23 MET CA C 23 54.737 54.737 56.528 -1.791 18801 7896 1 16 . 1 1 23 23 MET CB C 23 27.240 27.240 32.058 -4.818 18801 7897 1 16 . 1 1 23 23 MET H H 23 8.008 8.008 7.518 0.490 18801 7898 1 16 . 1 1 24 24 GLU N N 24 118.261 118.261 119.680 -1.419 18801 7899 1 16 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.375 -0.370 18801 7900 1 16 . 1 1 24 24 GLU C C 24 175.157 175.157 178.371 -3.214 18801 7901 1 16 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.406 -0.943 18801 7902 1 16 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.459 -4.208 18801 7903 1 16 . 1 1 24 24 GLU H H 24 7.527 7.527 7.701 -0.174 18801 7904 1 16 . 1 1 25 25 LYS N N 25 121.138 121.138 120.389 0.749 18801 7905 1 16 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.105 -0.096 18801 7906 1 16 . 1 1 25 25 LYS C C 25 174.603 174.603 179.355 -4.752 18801 7907 1 16 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.776 -1.915 18801 7908 1 16 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.269 -2.460 18801 7909 1 16 . 1 1 25 25 LYS H H 25 7.645 7.645 8.387 -0.742 18801 7910 1 16 . 1 1 26 26 LEU N N 26 121.410 121.410 119.221 2.189 18801 7911 1 16 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.106 0.075 18801 7912 1 16 . 1 1 26 26 LEU C C 26 172.921 172.921 179.056 -6.135 18801 7913 1 16 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.319 -2.412 18801 7914 1 16 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.283 -2.778 18801 7915 1 16 . 1 1 26 26 LEU H H 26 8.617 8.617 7.778 0.839 18801 7916 1 16 . 1 1 27 27 LYS N N 27 121.975 121.975 119.194 2.781 18801 7917 1 16 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.002 0.021 18801 7918 1 16 . 1 1 27 27 LYS C C 27 176.493 176.493 177.507 -1.014 18801 7919 1 16 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.892 -2.280 18801 7920 1 16 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.049 -2.791 18801 7921 1 16 . 1 1 27 27 LYS H H 27 8.239 8.239 7.799 0.440 18801 7922 1 16 . 1 1 28 28 SER N N 28 113.123 113.123 111.744 1.379 18801 7923 1 16 . 1 1 28 28 SER HA H 28 4.472 4.472 4.392 0.080 18801 7924 1 16 . 1 1 28 28 SER C C 28 180.378 180.378 174.697 5.681 18801 7925 1 16 . 1 1 28 28 SER CA C 28 56.232 56.232 59.066 -2.834 18801 7926 1 16 . 1 1 28 28 SER CB C 28 60.798 60.798 64.311 -3.513 18801 7927 1 16 . 1 1 28 28 SER H H 28 7.620 7.620 7.780 -0.160 18801 7928 1 16 . 1 1 29 29 GLY N N 29 107.497 107.497 108.571 -1.074 18801 7929 1 16 . 1 1 29 29 GLY C C 29 179.552 179.552 173.784 5.768 18801 7930 1 16 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.622 -2.574 18801 7931 1 16 . 1 1 29 29 GLY H H 29 7.667 7.667 7.821 -0.154 18801 7932 1 16 . 1 1 30 30 GLU N N 30 121.320 121.320 119.305 2.015 18801 7933 1 16 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.441 -0.218 18801 7934 1 16 . 1 1 30 30 GLU C C 30 178.900 178.900 175.866 3.034 18801 7935 1 16 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.242 -1.040 18801 7936 1 16 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.699 -3.618 18801 7937 1 16 . 1 1 30 30 GLU H H 30 7.690 7.690 7.715 -0.025 18801 7938 1 16 . 1 1 31 31 LYS N N 31 122.239 122.239 120.054 2.185 18801 7939 1 16 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.682 -0.451 18801 7940 1 16 . 1 1 31 31 LYS C C 31 177.152 177.152 176.628 0.524 18801 7941 1 16 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.603 -1.269 18801 7942 1 16 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.863 -3.727 18801 7943 1 16 . 1 1 31 31 LYS H H 31 8.793 8.793 8.259 0.534 18801 7944 1 16 . 1 1 32 32 PHE N N 32 126.167 126.167 125.800 0.367 18801 7945 1 16 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.214 -0.579 18801 7946 1 16 . 1 1 32 32 PHE C C 32 177.437 177.437 177.135 0.302 18801 7947 1 16 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.084 -2.002 18801 7948 1 16 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.606 -2.080 18801 7949 1 16 . 1 1 32 32 PHE H H 32 9.002 9.002 9.134 -0.132 18801 7950 1 16 . 1 1 33 33 GLY N N 33 103.648 103.648 106.458 -2.810 18801 7951 1 16 . 1 1 33 33 GLY C C 33 179.280 179.280 176.070 3.210 18801 7952 1 16 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.107 -2.948 18801 7953 1 16 . 1 1 33 33 GLY H H 33 9.168 9.168 8.813 0.355 18801 7954 1 16 . 1 1 34 34 LYS N N 34 120.972 120.972 119.114 1.858 18801 7955 1 16 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.148 -0.178 18801 7956 1 16 . 1 1 34 34 LYS C C 34 176.326 176.326 177.717 -1.391 18801 7957 1 16 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.078 -1.836 18801 7958 1 16 . 1 1 34 34 LYS CB C 34 30.335 30.335 31.946 -1.611 18801 7959 1 16 . 1 1 34 34 LYS H H 34 6.642 6.642 7.631 -0.989 18801 7960 1 16 . 1 1 35 35 LEU N N 35 118.154 118.154 116.286 1.868 18801 7961 1 16 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.458 -0.555 18801 7962 1 16 . 1 1 35 35 LEU C C 35 175.872 175.872 177.943 -2.071 18801 7963 1 16 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.708 -1.216 18801 7964 1 16 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.465 -3.696 18801 7965 1 16 . 1 1 35 35 LEU H H 35 7.425 7.425 7.506 -0.081 18801 7966 1 16 . 1 1 36 36 ALA N N 36 120.438 120.438 122.656 -2.218 18801 7967 1 16 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.976 -0.286 18801 7968 1 16 . 1 1 36 36 ALA C C 36 176.117 176.117 178.555 -2.438 18801 7969 1 16 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.524 -1.950 18801 7970 1 16 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.324 -3.593 18801 7971 1 16 . 1 1 36 36 ALA H H 36 8.229 8.229 8.138 0.091 18801 7972 1 16 . 1 1 37 37 LYS N N 37 116.463 116.463 115.316 1.147 18801 7973 1 16 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.431 -0.384 18801 7974 1 16 . 1 1 37 37 LYS C C 37 175.232 175.232 176.664 -1.432 18801 7975 1 16 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.566 -1.148 18801 7976 1 16 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.736 -2.779 18801 7977 1 16 . 1 1 37 37 LYS H H 37 7.568 7.568 7.928 -0.360 18801 7978 1 16 . 1 1 38 38 GLU N N 38 115.319 115.319 117.385 -2.066 18801 7979 1 16 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.407 -0.373 18801 7980 1 16 . 1 1 38 38 GLU C C 38 176.423 176.423 177.360 -0.937 18801 7981 1 16 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.824 -1.055 18801 7982 1 16 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.902 -2.613 18801 7983 1 16 . 1 1 38 38 GLU H H 38 7.766 7.766 7.474 0.292 18801 7984 1 16 . 1 1 39 39 LEU N N 39 114.689 114.689 120.267 -5.578 18801 7985 1 16 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.053 0.442 18801 7986 1 16 . 1 1 39 39 LEU C C 39 177.452 177.452 177.875 -0.423 18801 7987 1 16 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.963 -4.918 18801 7988 1 16 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.333 -0.513 18801 7989 1 16 . 1 1 39 39 LEU H H 39 8.214 8.214 8.015 0.199 18801 7990 1 16 . 1 1 40 40 SER N N 40 110.112 110.112 112.867 -2.755 18801 7991 1 16 . 1 1 40 40 SER HA H 40 4.617 4.617 4.396 0.221 18801 7992 1 16 . 1 1 40 40 SER C C 40 177.179 177.179 175.663 1.516 18801 7993 1 16 . 1 1 40 40 SER CA C 40 54.102 54.102 59.312 -5.210 18801 7994 1 16 . 1 1 40 40 SER CB C 40 62.559 62.559 63.139 -0.580 18801 7995 1 16 . 1 1 40 40 SER H H 40 7.848 7.848 7.564 0.284 18801 7996 1 16 . 1 1 41 41 ILE N N 41 119.941 119.941 120.473 -0.532 18801 7997 1 16 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.064 0.306 18801 7998 1 16 . 1 1 41 41 ILE C C 41 178.010 178.010 175.897 2.113 18801 7999 1 16 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.671 -2.793 18801 8000 1 16 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.319 -3.974 18801 8001 1 16 . 1 1 41 41 ILE H H 41 9.126 9.126 7.958 1.168 18801 8002 1 16 . 1 1 42 42 ASP N N 42 120.547 120.547 121.463 -0.916 18801 8003 1 16 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.496 0.337 18801 8004 1 16 . 1 1 42 42 ASP C C 42 179.215 179.215 177.131 2.084 18801 8005 1 16 . 1 1 42 42 ASP CA C 42 49.318 49.318 53.939 -4.621 18801 8006 1 16 . 1 1 42 42 ASP CB C 42 37.216 37.216 40.830 -3.614 18801 8007 1 16 . 1 1 42 42 ASP H H 42 7.476 7.476 7.867 -0.391 18801 8008 1 16 . 1 1 43 43 SER N N 43 122.805 122.805 123.163 -0.358 18801 8009 1 16 . 1 1 43 43 SER HA H 43 4.115 4.115 4.185 -0.070 18801 8010 1 16 . 1 1 43 43 SER C C 43 178.349 178.349 176.156 2.193 18801 8011 1 16 . 1 1 43 43 SER CA C 43 58.425 58.425 60.450 -2.025 18801 8012 1 16 . 1 1 43 43 SER CB C 43 59.904 59.904 63.073 -3.169 18801 8013 1 16 . 1 1 43 43 SER H H 43 8.215 8.215 8.493 -0.278 18801 8014 1 16 . 1 1 44 44 GLY N N 44 107.974 107.974 109.411 -1.437 18801 8015 1 16 . 1 1 44 44 GLY C C 44 179.677 179.677 173.213 6.464 18801 8016 1 16 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.002 -1.191 18801 8017 1 16 . 1 1 44 44 GLY H H 44 8.384 8.384 8.383 0.001 18801 8018 1 16 . 1 1 45 45 SER N N 45 110.539 110.539 116.203 -5.664 18801 8019 1 16 . 1 1 45 45 SER HA H 45 4.493 4.493 4.529 -0.036 18801 8020 1 16 . 1 1 45 45 SER C C 45 176.530 176.530 174.906 1.624 18801 8021 1 16 . 1 1 45 45 SER CA C 45 56.718 56.718 59.362 -2.644 18801 8022 1 16 . 1 1 45 45 SER CB C 45 62.291 62.291 64.543 -2.252 18801 8023 1 16 . 1 1 45 45 SER H H 45 7.177 7.177 7.661 -0.484 18801 8024 1 16 . 1 1 46 46 ALA N N 46 132.579 132.579 125.943 6.636 18801 8025 1 16 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.456 -0.718 18801 8026 1 16 . 1 1 46 46 ALA C C 46 175.404 175.404 178.740 -3.336 18801 8027 1 16 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.768 -0.581 18801 8028 1 16 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.677 -2.740 18801 8029 1 16 . 1 1 46 46 ALA H H 46 8.726 8.726 8.027 0.699 18801 8030 1 16 . 1 1 47 47 LYS N N 47 111.990 111.990 115.274 -3.284 18801 8031 1 16 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.202 -0.095 18801 8032 1 16 . 1 1 47 47 LYS C C 47 177.450 177.450 176.780 0.670 18801 8033 1 16 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.686 -2.577 18801 8034 1 16 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.704 -3.855 18801 8035 1 16 . 1 1 47 47 LYS H H 47 7.668 7.668 8.331 -0.663 18801 8036 1 16 . 1 1 48 48 LYS N N 48 118.900 118.900 116.434 2.466 18801 8037 1 16 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.575 0.028 18801 8038 1 16 . 1 1 48 48 LYS C C 48 177.786 177.786 175.710 2.076 18801 8039 1 16 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.704 -3.190 18801 8040 1 16 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.763 -3.305 18801 8041 1 16 . 1 1 48 48 LYS H H 48 7.382 7.382 7.662 -0.280 18801 8042 1 16 . 1 1 49 49 ASN N N 49 115.995 115.995 117.800 -1.805 18801 8043 1 16 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.309 -0.051 18801 8044 1 16 . 1 1 49 49 ASN C C 49 180.354 180.354 175.767 4.587 18801 8045 1 16 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.640 -2.226 18801 8046 1 16 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.499 -4.177 18801 8047 1 16 . 1 1 49 49 ASN H H 49 8.021 8.021 8.243 -0.222 18801 8048 1 16 . 1 1 50 50 GLY N N 50 104.621 104.621 103.326 1.295 18801 8049 1 16 . 1 1 50 50 GLY C C 50 180.665 180.665 173.335 7.330 18801 8050 1 16 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.803 -3.269 18801 8051 1 16 . 1 1 50 50 GLY H H 50 8.512 8.512 8.825 -0.313 18801 8052 1 16 . 1 1 51 51 ASN N N 51 118.054 118.054 119.100 -1.046 18801 8053 1 16 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.601 0.198 18801 8054 1 16 . 1 1 51 51 ASN C C 51 179.848 179.848 175.247 4.601 18801 8055 1 16 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.281 -0.188 18801 8056 1 16 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.283 -2.486 18801 8057 1 16 . 1 1 51 51 ASN H H 51 7.146 7.146 8.153 -1.007 18801 8058 1 16 . 1 1 52 52 LEU N N 52 126.673 126.673 119.392 7.281 18801 8059 1 16 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.279 0.041 18801 8060 1 16 . 1 1 52 52 LEU C C 52 176.682 176.682 177.531 -0.849 18801 8061 1 16 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.272 -3.831 18801 8062 1 16 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.752 -1.290 18801 8063 1 16 . 1 1 52 52 LEU H H 52 8.607 8.607 7.866 0.741 18801 8064 1 16 . 1 1 53 53 GLY N N 53 108.525 108.525 106.988 1.537 18801 8065 1 16 . 1 1 53 53 GLY C C 53 182.708 182.708 173.784 8.924 18801 8066 1 16 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.333 -3.731 18801 8067 1 16 . 1 1 53 53 GLY H H 53 8.121 8.121 7.443 0.678 18801 8068 1 16 . 1 1 54 54 TYR N N 54 114.992 114.992 122.975 -7.983 18801 8069 1 16 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.146 0.036 18801 8070 1 16 . 1 1 54 54 TYR C C 54 176.195 176.195 176.437 -0.242 18801 8071 1 16 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.889 -2.864 18801 8072 1 16 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.653 -2.258 18801 8073 1 16 . 1 1 54 54 TYR H H 54 8.187 8.187 8.450 -0.263 18801 8074 1 16 . 1 1 55 55 PHE N N 55 118.041 118.041 122.077 -4.036 18801 8075 1 16 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.034 0.069 18801 8076 1 16 . 1 1 55 55 PHE C C 55 181.875 181.875 173.158 8.717 18801 8077 1 16 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.736 -2.811 18801 8078 1 16 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.562 -3.395 18801 8079 1 16 . 1 1 55 55 PHE H H 55 9.093 9.093 8.602 0.491 18801 8080 1 16 . 1 1 56 56 THR N N 56 109.577 109.577 108.456 1.121 18801 8081 1 16 . 1 1 56 56 THR HA H 56 5.267 5.267 4.078 1.189 18801 8082 1 16 . 1 1 56 56 THR C C 56 178.403 178.403 173.330 5.073 18801 8083 1 16 . 1 1 56 56 THR CA C 56 56.522 56.522 59.564 -3.042 18801 8084 1 16 . 1 1 56 56 THR CB C 56 69.673 69.673 71.371 -1.698 18801 8085 1 16 . 1 1 56 56 THR H H 56 7.949 7.949 7.902 0.047 18801 8086 1 16 . 1 1 57 57 LYS N N 57 121.639 121.639 121.097 0.542 18801 8087 1 16 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.463 -0.468 18801 8088 1 16 . 1 1 57 57 LYS C C 57 176.706 176.706 176.995 -0.289 18801 8089 1 16 . 1 1 57 57 LYS CA C 57 55.695 55.695 56.895 -1.200 18801 8090 1 16 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.877 -2.493 18801 8091 1 16 . 1 1 57 57 LYS H H 57 8.703 8.703 8.511 0.192 18801 8092 1 16 . 1 1 58 58 GLY N N 58 114.416 114.416 113.135 1.281 18801 8093 1 16 . 1 1 58 58 GLY C C 58 180.079 180.079 174.609 5.470 18801 8094 1 16 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.209 -2.850 18801 8095 1 16 . 1 1 58 58 GLY H H 58 10.495 10.495 8.855 1.640 18801 8096 1 16 . 1 1 59 59 MET N N 59 118.231 118.231 117.560 0.671 18801 8097 1 16 . 1 1 59 59 MET HA H 59 4.366 4.366 4.720 -0.353 18801 8098 1 16 . 1 1 59 59 MET C C 59 178.798 178.798 175.730 3.068 18801 8099 1 16 . 1 1 59 59 MET CA C 59 55.129 55.129 55.585 -0.456 18801 8100 1 16 . 1 1 59 59 MET CB C 59 32.196 32.196 33.830 -1.634 18801 8101 1 16 . 1 1 59 59 MET H H 59 7.681 7.681 8.342 -0.661 18801 8102 1 16 . 1 1 60 60 MET N N 60 118.667 118.667 118.177 0.490 18801 8103 1 16 . 1 1 60 60 MET HA H 60 4.629 4.629 4.816 -0.187 18801 8104 1 16 . 1 1 60 60 MET C C 60 178.834 178.834 174.995 3.839 18801 8105 1 16 . 1 1 60 60 MET CA C 60 49.108 49.108 54.019 -4.911 18801 8106 1 16 . 1 1 60 60 MET CB C 60 30.952 30.952 34.896 -3.944 18801 8107 1 16 . 1 1 60 60 MET H H 60 8.905 8.905 7.928 0.977 18801 8108 1 16 . 1 1 61 61 VAL N N 61 114.198 114.198 117.158 -2.960 18801 8109 1 16 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.533 -0.377 18801 8110 1 16 . 1 1 61 61 VAL C C 61 176.731 176.731 176.485 0.246 18801 8111 1 16 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.205 0.160 18801 8112 1 16 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.428 -3.747 18801 8113 1 16 . 1 1 61 61 VAL H H 61 8.062 8.062 8.074 -0.012 18801 8114 1 16 . 1 1 62 62 LYS N N 62 124.862 124.862 122.168 2.694 18801 8115 1 16 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.226 -0.077 18801 8116 1 16 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.111 -1.865 18801 8117 1 16 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.406 -4.256 18801 8118 1 16 . 1 1 62 62 LYS H H 62 8.736 8.736 8.797 -0.061 18801 8119 1 16 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.350 0.048 18801 8120 1 16 . 1 1 63 63 PRO C C 63 174.841 174.841 175.446 -0.605 18801 8121 1 16 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.505 -0.577 18801 8122 1 16 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.770 -1.543 18801 8123 1 16 . 1 1 64 64 PHE N N 64 115.340 115.340 118.321 -2.981 18801 8124 1 16 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.402 -0.768 18801 8125 1 16 . 1 1 64 64 PHE C C 64 178.782 178.782 174.336 4.446 18801 8126 1 16 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.445 -1.752 18801 8127 1 16 . 1 1 64 64 PHE CB C 64 37.274 37.274 39.819 -2.545 18801 8128 1 16 . 1 1 64 64 PHE H H 64 6.870 6.870 7.991 -1.121 18801 8129 1 16 . 1 1 65 65 GLU N N 65 120.356 120.356 120.061 0.295 18801 8130 1 16 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.057 -0.105 18801 8131 1 16 . 1 1 65 65 GLU C C 65 177.209 177.209 178.116 -0.907 18801 8132 1 16 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.196 -1.411 18801 8133 1 16 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.047 -1.958 18801 8134 1 16 . 1 1 65 65 GLU H H 65 8.429 8.429 8.366 0.063 18801 8135 1 16 . 1 1 66 66 ASP N N 66 117.560 117.560 119.510 -1.950 18801 8136 1 16 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.210 0.093 18801 8137 1 16 . 1 1 66 66 ASP C C 66 176.337 176.337 176.977 -0.640 18801 8138 1 16 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.764 -2.736 18801 8139 1 16 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.537 -3.015 18801 8140 1 16 . 1 1 66 66 ASP H H 66 8.925 8.925 7.781 1.144 18801 8141 1 16 . 1 1 67 67 ALA N N 67 117.959 117.959 118.707 -0.748 18801 8142 1 16 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.328 -0.203 18801 8143 1 16 . 1 1 67 67 ALA C C 67 174.155 174.155 176.202 -2.047 18801 8144 1 16 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.445 -0.338 18801 8145 1 16 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.663 -0.441 18801 8146 1 16 . 1 1 67 67 ALA H H 67 6.805 6.805 7.162 -0.357 18801 8147 1 16 . 1 1 68 68 ALA N N 68 120.884 120.884 120.734 0.150 18801 8148 1 16 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.035 -0.362 18801 8149 1 16 . 1 1 68 68 ALA C C 68 175.535 175.535 176.618 -1.083 18801 8150 1 16 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.493 -0.169 18801 8151 1 16 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.609 -4.654 18801 8152 1 16 . 1 1 68 68 ALA H H 68 8.836 8.836 7.012 1.824 18801 8153 1 16 . 1 1 69 69 PHE N N 69 110.173 110.173 111.814 -1.641 18801 8154 1 16 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.875 -0.873 18801 8155 1 16 . 1 1 69 69 PHE C C 69 178.751 178.751 175.220 3.531 18801 8156 1 16 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.063 2.417 18801 8157 1 16 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.726 -4.898 18801 8158 1 16 . 1 1 69 69 PHE H H 69 8.087 8.087 6.788 1.299 18801 8159 1 16 . 1 1 70 70 LYS N N 70 116.963 116.963 120.255 -3.292 18801 8160 1 16 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.383 -0.005 18801 8161 1 16 . 1 1 70 70 LYS C C 70 177.534 177.534 176.011 1.523 18801 8162 1 16 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.866 -3.264 18801 8163 1 16 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.276 -1.171 18801 8164 1 16 . 1 1 70 70 LYS H H 70 6.997 6.997 8.084 -1.087 18801 8165 1 16 . 1 1 71 71 LEU N N 71 118.952 118.952 119.260 -0.308 18801 8166 1 16 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.481 -0.287 18801 8167 1 16 . 1 1 71 71 LEU C C 71 176.388 176.388 176.828 -0.440 18801 8168 1 16 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.717 -1.747 18801 8169 1 16 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.984 -3.042 18801 8170 1 16 . 1 1 71 71 LEU H H 71 6.933 6.933 7.450 -0.517 18801 8171 1 16 . 1 1 72 72 GLN N N 72 121.738 121.738 117.721 4.017 18801 8172 1 16 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.574 -0.254 18801 8173 1 16 . 1 1 72 72 GLN C C 72 177.973 177.973 175.690 2.283 18801 8174 1 16 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.357 -3.135 18801 8175 1 16 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.090 -4.484 18801 8176 1 16 . 1 1 72 72 GLN H H 72 9.040 9.040 8.520 0.520 18801 8177 1 16 . 1 1 73 73 VAL N N 73 122.076 122.076 120.658 1.418 18801 8178 1 16 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.981 -1.150 18801 8179 1 16 . 1 1 73 73 VAL C C 73 177.702 177.702 175.799 1.903 18801 8180 1 16 . 1 1 73 73 VAL CA C 73 64.398 64.398 62.579 1.819 18801 8181 1 16 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.666 -3.208 18801 8182 1 16 . 1 1 73 73 VAL H H 73 8.759 8.759 8.159 0.600 18801 8183 1 16 . 1 1 74 74 GLY N N 74 117.298 117.298 116.393 0.905 18801 8184 1 16 . 1 1 74 74 GLY C C 74 181.597 181.597 173.290 8.307 18801 8185 1 16 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.426 -2.567 18801 8186 1 16 . 1 1 74 74 GLY H H 74 8.626 8.626 8.075 0.551 18801 8187 1 16 . 1 1 75 75 GLU N N 75 122.135 122.135 120.361 1.774 18801 8188 1 16 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.607 -0.471 18801 8189 1 16 . 1 1 75 75 GLU C C 75 180.891 180.891 175.046 5.845 18801 8190 1 16 . 1 1 75 75 GLU CA C 75 53.363 53.363 55.213 -1.850 18801 8191 1 16 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.327 -2.918 18801 8192 1 16 . 1 1 75 75 GLU H H 75 7.877 7.877 7.729 0.148 18801 8193 1 16 . 1 1 76 76 VAL N N 76 121.950 121.950 122.160 -0.210 18801 8194 1 16 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.549 0.391 18801 8195 1 16 . 1 1 76 76 VAL C C 76 177.920 177.920 176.204 1.716 18801 8196 1 16 . 1 1 76 76 VAL CA C 76 56.931 56.931 60.937 -4.006 18801 8197 1 16 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.028 -1.987 18801 8198 1 16 . 1 1 76 76 VAL H H 76 7.877 7.877 8.352 -0.475 18801 8199 1 16 . 1 1 77 77 SER N N 77 125.434 125.434 120.530 4.904 18801 8200 1 16 . 1 1 77 77 SER HA H 77 4.275 4.275 4.566 -0.291 18801 8201 1 16 . 1 1 77 77 SER C C 77 181.544 181.544 174.488 7.056 18801 8202 1 16 . 1 1 77 77 SER CA C 77 56.028 56.028 57.204 -1.176 18801 8203 1 16 . 1 1 77 77 SER CB C 77 62.729 62.729 64.875 -2.146 18801 8204 1 16 . 1 1 77 77 SER H H 77 9.611 9.611 8.776 0.835 18801 8205 1 16 . 1 1 78 78 GLU N N 78 114.680 114.680 120.859 -6.179 18801 8206 1 16 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.507 0.104 18801 8207 1 16 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.989 -1.243 18801 8208 1 16 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.232 -3.728 18801 8209 1 16 . 1 1 78 78 GLU H H 78 7.589 7.589 8.510 -0.921 18801 8210 1 16 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.649 0.081 18801 8211 1 16 . 1 1 79 79 PRO C C 79 177.642 177.642 175.792 1.850 18801 8212 1 16 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.683 -2.205 18801 8213 1 16 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.931 -2.631 18801 8214 1 16 . 1 1 80 80 ILE N N 80 127.418 127.418 125.073 2.345 18801 8215 1 16 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.067 0.433 18801 8216 1 16 . 1 1 80 80 ILE C C 80 179.315 179.315 175.929 3.386 18801 8217 1 16 . 1 1 80 80 ILE CA C 80 54.708 54.708 60.118 -5.410 18801 8218 1 16 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.418 -0.300 18801 8219 1 16 . 1 1 80 80 ILE H H 80 9.614 9.614 8.062 1.552 18801 8220 1 16 . 1 1 81 81 LYS N N 81 129.156 129.156 129.953 -0.797 18801 8221 1 16 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.119 0.157 18801 8222 1 16 . 1 1 81 81 LYS C C 81 179.186 179.186 175.289 3.897 18801 8223 1 16 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.948 -4.068 18801 8224 1 16 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.626 -1.821 18801 8225 1 16 . 1 1 81 81 LYS H H 81 8.637 8.637 8.768 -0.131 18801 8226 1 16 . 1 1 82 82 SER N N 82 125.346 125.346 121.684 3.662 18801 8227 1 16 . 1 1 82 82 SER HA H 82 4.836 4.836 4.715 0.121 18801 8228 1 16 . 1 1 82 82 SER C C 82 179.369 179.369 173.976 5.393 18801 8229 1 16 . 1 1 82 82 SER CA C 82 53.893 53.893 56.111 -2.218 18801 8230 1 16 . 1 1 82 82 SER CB C 82 64.579 64.579 65.158 -0.579 18801 8231 1 16 . 1 1 82 82 SER H H 82 9.532 9.532 8.114 1.418 18801 8232 1 16 . 1 1 83 83 GLU N N 83 118.760 118.760 119.971 -1.211 18801 8233 1 16 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.032 0.016 18801 8234 1 16 . 1 1 83 83 GLU C C 83 177.803 177.803 177.029 0.774 18801 8235 1 16 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.839 -3.481 18801 8236 1 16 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.189 -2.844 18801 8237 1 16 . 1 1 83 83 GLU H H 83 9.535 9.535 8.574 0.961 18801 8238 1 16 . 1 1 84 84 PHE N N 84 118.360 118.360 117.927 0.433 18801 8239 1 16 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.527 0.001 18801 8240 1 16 . 1 1 84 84 PHE C C 84 179.367 179.367 175.869 3.498 18801 8241 1 16 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.534 -2.416 18801 8242 1 16 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.447 -2.411 18801 8243 1 16 . 1 1 84 84 PHE H H 84 8.803 8.803 7.978 0.825 18801 8244 1 16 . 1 1 85 85 GLY N N 85 107.365 107.365 105.556 1.809 18801 8245 1 16 . 1 1 85 85 GLY C C 85 184.805 184.805 172.988 11.817 18801 8246 1 16 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.299 -2.621 18801 8247 1 16 . 1 1 85 85 GLY H H 85 7.323 7.323 7.310 0.013 18801 8248 1 16 . 1 1 86 86 TYR N N 86 119.303 119.303 122.698 -3.395 18801 8249 1 16 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.812 0.183 18801 8250 1 16 . 1 1 86 86 TYR C C 86 180.178 180.178 176.025 4.153 18801 8251 1 16 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.487 -4.111 18801 8252 1 16 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.331 0.112 18801 8253 1 16 . 1 1 86 86 TYR H H 86 8.990 8.990 7.795 1.195 18801 8254 1 16 . 1 1 87 87 HIS N N 87 120.588 120.588 124.241 -3.653 18801 8255 1 16 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.152 0.379 18801 8256 1 16 . 1 1 87 87 HIS CA C 87 51.473 51.473 56.192 -4.719 18801 8257 1 16 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.481 -3.302 18801 8258 1 16 . 1 1 87 87 HIS H H 87 9.791 9.791 8.795 0.996 18801 8259 1 16 . 1 1 88 88 ILE N N 88 122.986 122.986 126.885 -3.899 18801 8260 1 16 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.490 -0.445 18801 8261 1 16 . 1 1 88 88 ILE C C 88 179.375 179.375 175.500 3.875 18801 8262 1 16 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.986 0.237 18801 8263 1 16 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.825 0.527 18801 8264 1 16 . 1 1 88 88 ILE H H 88 9.161 9.161 8.289 0.872 18801 8265 1 16 . 1 1 89 89 ILE N N 89 128.220 128.220 128.165 0.055 18801 8266 1 16 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.408 0.373 18801 8267 1 16 . 1 1 89 89 ILE C C 89 181.174 181.174 175.119 6.055 18801 8268 1 16 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.312 -3.584 18801 8269 1 16 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.458 0.138 18801 8270 1 16 . 1 1 89 89 ILE H H 89 8.568 8.568 8.333 0.235 18801 8271 1 16 . 1 1 90 90 LYS N N 90 125.284 125.284 127.233 -1.949 18801 8272 1 16 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.181 -0.017 18801 8273 1 16 . 1 1 90 90 LYS C C 90 179.565 179.565 175.569 3.996 18801 8274 1 16 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.296 -2.925 18801 8275 1 16 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.950 -3.295 18801 8276 1 16 . 1 1 90 90 LYS H H 90 8.580 8.580 7.781 0.799 18801 8277 1 16 . 1 1 91 91 ARG N N 91 126.331 126.331 126.804 -0.473 18801 8278 1 16 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.454 0.563 18801 8279 1 16 . 1 1 91 91 ARG C C 91 179.376 179.376 175.477 3.899 18801 8280 1 16 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.589 -4.676 18801 8281 1 16 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.040 -3.478 18801 8282 1 16 . 1 1 91 91 ARG H H 91 7.641 7.641 8.204 -0.563 18801 8283 1 16 . 1 1 92 92 PHE N N 92 127.260 127.260 123.164 4.096 18801 8284 1 16 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.614 -0.108 18801 8285 1 16 . 1 1 92 92 PHE C C 92 179.492 179.492 176.569 2.923 18801 8286 1 16 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.006 -1.768 18801 8287 1 16 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.136 -1.530 18801 8288 1 16 . 1 1 92 92 PHE H H 92 9.044 9.044 8.142 0.902 18801 8289 1 17 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.361 0.108 18801 8290 1 17 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.203 -2.954 18801 8291 1 17 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.356 -2.820 18801 8292 1 17 . 1 1 3 3 SER N N 3 116.356 116.356 112.451 3.905 18801 8293 1 17 . 1 1 3 3 SER HA H 3 4.457 4.457 4.084 0.373 18801 8294 1 17 . 1 1 3 3 SER CA C 3 55.255 55.255 58.090 -2.835 18801 8295 1 17 . 1 1 3 3 SER CB C 3 61.066 61.066 62.666 -1.600 18801 8296 1 17 . 1 1 3 3 SER H H 3 8.502 8.502 8.332 0.170 18801 8297 1 17 . 1 1 4 4 ASN N N 4 120.863 120.863 117.721 3.142 18801 8298 1 17 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.580 0.116 18801 8299 1 17 . 1 1 4 4 ASN C C 4 180.499 180.499 174.169 6.330 18801 8300 1 17 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.792 -4.056 18801 8301 1 17 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.167 -3.366 18801 8302 1 17 . 1 1 4 4 ASN H H 4 8.463 8.463 8.394 0.069 18801 8303 1 17 . 1 1 5 5 LYS N N 5 119.444 119.444 115.731 3.713 18801 8304 1 17 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.077 0.019 18801 8305 1 17 . 1 1 5 5 LYS C C 5 179.306 179.306 174.856 4.450 18801 8306 1 17 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.559 -2.610 18801 8307 1 17 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.082 -3.441 18801 8308 1 17 . 1 1 5 5 LYS H H 5 7.965 7.965 7.445 0.520 18801 8309 1 17 . 1 1 6 6 ILE N N 6 115.941 115.941 113.699 2.242 18801 8310 1 17 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.718 0.843 18801 8311 1 17 . 1 1 6 6 ILE C C 6 183.130 183.130 174.434 8.696 18801 8312 1 17 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.118 -2.400 18801 8313 1 17 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.054 -2.350 18801 8314 1 17 . 1 1 6 6 ILE H H 6 8.133 8.133 8.006 0.127 18801 8315 1 17 . 1 1 7 7 LYS N N 7 122.265 122.265 123.350 -1.085 18801 8316 1 17 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.593 0.162 18801 8317 1 17 . 1 1 7 7 LYS C C 7 177.364 177.364 176.848 0.516 18801 8318 1 17 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.505 -6.277 18801 8319 1 17 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.199 -2.013 18801 8320 1 17 . 1 1 7 7 LYS H H 7 8.155 8.155 8.196 -0.041 18801 8321 1 17 . 1 1 8 8 CYS N N 8 118.452 118.452 119.595 -1.143 18801 8322 1 17 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.116 0.639 18801 8323 1 17 . 1 1 8 8 CYS C C 8 181.803 181.803 172.504 9.299 18801 8324 1 17 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.827 -4.227 18801 8325 1 17 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.455 0.130 18801 8326 1 17 . 1 1 8 8 CYS H H 8 7.243 7.243 8.498 -1.255 18801 8327 1 17 . 1 1 9 9 SER N N 9 115.559 115.559 115.101 0.458 18801 8328 1 17 . 1 1 9 9 SER HA H 9 5.777 5.777 5.365 0.412 18801 8329 1 17 . 1 1 9 9 SER C C 9 181.609 181.609 173.305 8.304 18801 8330 1 17 . 1 1 9 9 SER CA C 9 53.256 53.256 56.380 -3.124 18801 8331 1 17 . 1 1 9 9 SER CB C 9 64.431 64.431 65.759 -1.328 18801 8332 1 17 . 1 1 9 9 SER H H 9 9.148 9.148 8.457 0.691 18801 8333 1 17 . 1 1 10 10 HIS N N 10 119.227 119.227 113.790 5.437 18801 8334 1 17 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.276 1.215 18801 8335 1 17 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.968 -4.724 18801 8336 1 17 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.387 2.261 18801 8337 1 17 . 1 1 10 10 HIS H H 10 9.626 9.626 8.860 0.766 18801 8338 1 17 . 1 1 11 11 ILE N N 11 121.859 121.859 121.723 0.136 18801 8339 1 17 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.206 -0.798 18801 8340 1 17 . 1 1 11 11 ILE C C 11 182.235 182.235 173.985 8.250 18801 8341 1 17 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.230 -1.623 18801 8342 1 17 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.375 -2.818 18801 8343 1 17 . 1 1 11 11 ILE H H 11 8.978 8.978 8.896 0.082 18801 8344 1 17 . 1 1 12 12 LEU N N 12 128.789 128.789 128.003 0.786 18801 8345 1 17 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.440 -0.392 18801 8346 1 17 . 1 1 12 12 LEU C C 12 180.111 180.111 176.697 3.414 18801 8347 1 17 . 1 1 12 12 LEU CA C 12 49.529 49.529 52.855 -3.325 18801 8348 1 17 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.797 -1.523 18801 8349 1 17 . 1 1 12 12 LEU H H 12 7.659 7.659 8.084 -0.425 18801 8350 1 17 . 1 1 13 13 VAL N N 13 117.652 117.652 116.974 0.678 18801 8351 1 17 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.693 0.230 18801 8352 1 17 . 1 1 13 13 VAL C C 13 178.956 178.956 174.931 4.025 18801 8353 1 17 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.287 -3.931 18801 8354 1 17 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.498 -2.253 18801 8355 1 17 . 1 1 13 13 VAL H H 13 8.916 8.916 7.827 1.089 18801 8356 1 17 . 1 1 14 14 SER N N 14 115.236 115.236 113.773 1.463 18801 8357 1 17 . 1 1 14 14 SER HA H 14 4.591 4.591 4.604 -0.013 18801 8358 1 17 . 1 1 14 14 SER C C 14 179.440 179.440 173.925 5.515 18801 8359 1 17 . 1 1 14 14 SER CA C 14 58.302 58.302 57.812 0.490 18801 8360 1 17 . 1 1 14 14 SER CB C 14 61.585 61.585 63.342 -1.757 18801 8361 1 17 . 1 1 14 14 SER H H 14 8.799 8.799 8.555 0.244 18801 8362 1 17 . 1 1 15 15 LYS N N 15 117.100 117.100 120.120 -3.020 18801 8363 1 17 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.766 0.047 18801 8364 1 17 . 1 1 15 15 LYS C C 15 178.183 178.183 176.677 1.506 18801 8365 1 17 . 1 1 15 15 LYS CA C 15 51.798 51.798 54.774 -2.976 18801 8366 1 17 . 1 1 15 15 LYS CB C 15 32.956 32.956 33.885 -0.929 18801 8367 1 17 . 1 1 15 15 LYS H H 15 7.749 7.749 7.848 -0.099 18801 8368 1 17 . 1 1 16 16 GLN N N 16 126.339 126.339 124.322 2.017 18801 8369 1 17 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.118 -0.573 18801 8370 1 17 . 1 1 16 16 GLN C C 16 176.604 176.604 177.275 -0.671 18801 8371 1 17 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.889 -2.450 18801 8372 1 17 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.617 -2.853 18801 8373 1 17 . 1 1 16 16 GLN H H 16 8.810 8.810 9.051 -0.241 18801 8374 1 17 . 1 1 17 17 SER N N 17 112.691 112.691 113.695 -1.004 18801 8375 1 17 . 1 1 17 17 SER HA H 17 3.841 3.841 4.172 -0.331 18801 8376 1 17 . 1 1 17 17 SER C C 17 176.880 176.880 175.777 1.103 18801 8377 1 17 . 1 1 17 17 SER CA C 17 58.169 58.169 61.280 -3.111 18801 8378 1 17 . 1 1 17 17 SER CB C 17 58.144 58.144 62.455 -4.311 18801 8379 1 17 . 1 1 17 17 SER H H 17 8.637 8.637 8.429 0.208 18801 8380 1 17 . 1 1 18 18 GLU N N 18 122.640 122.640 121.804 0.836 18801 8381 1 17 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.083 -0.039 18801 8382 1 17 . 1 1 18 18 GLU C C 18 176.035 176.035 177.640 -1.605 18801 8383 1 17 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.383 -3.333 18801 8384 1 17 . 1 1 18 18 GLU CB C 18 26.903 26.903 29.567 -2.664 18801 8385 1 17 . 1 1 18 18 GLU H H 18 6.560 6.560 7.596 -1.036 18801 8386 1 17 . 1 1 19 19 ALA N N 19 122.963 122.963 120.752 2.211 18801 8387 1 17 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.151 -0.346 18801 8388 1 17 . 1 1 19 19 ALA C C 19 175.728 175.728 179.736 -4.008 18801 8389 1 17 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.806 -2.856 18801 8390 1 17 . 1 1 19 19 ALA CB C 19 14.490 14.490 19.014 -4.524 18801 8391 1 17 . 1 1 19 19 ALA H H 19 7.435 7.435 7.592 -0.157 18801 8392 1 17 . 1 1 20 20 LEU N N 20 117.683 117.683 118.932 -1.249 18801 8393 1 17 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.087 -0.186 18801 8394 1 17 . 1 1 20 20 LEU C C 20 174.983 174.983 178.269 -3.286 18801 8395 1 17 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.434 -1.425 18801 8396 1 17 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.005 -3.164 18801 8397 1 17 . 1 1 20 20 LEU H H 20 8.204 8.204 7.934 0.270 18801 8398 1 17 . 1 1 21 21 ALA N N 21 122.191 122.191 122.604 -0.413 18801 8399 1 17 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.302 -0.158 18801 8400 1 17 . 1 1 21 21 ALA C C 21 173.510 173.510 179.027 -5.517 18801 8401 1 17 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.610 -2.524 18801 8402 1 17 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.814 -2.952 18801 8403 1 17 . 1 1 21 21 ALA H H 21 7.432 7.432 7.596 -0.164 18801 8404 1 17 . 1 1 22 22 ILE N N 22 120.079 120.079 117.884 2.195 18801 8405 1 17 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.811 -0.408 18801 8406 1 17 . 1 1 22 22 ILE C C 22 177.128 177.128 177.618 -0.490 18801 8407 1 17 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.073 -0.795 18801 8408 1 17 . 1 1 22 22 ILE CB C 22 34.307 34.307 36.910 -2.603 18801 8409 1 17 . 1 1 22 22 ILE H H 22 7.649 7.649 7.445 0.204 18801 8410 1 17 . 1 1 23 23 MET N N 23 118.682 118.682 116.276 2.406 18801 8411 1 17 . 1 1 23 23 MET HA H 23 4.260 4.260 4.451 -0.191 18801 8412 1 17 . 1 1 23 23 MET C C 23 175.086 175.086 177.001 -1.915 18801 8413 1 17 . 1 1 23 23 MET CA C 23 54.737 54.737 58.111 -3.374 18801 8414 1 17 . 1 1 23 23 MET CB C 23 27.240 27.240 33.139 -5.899 18801 8415 1 17 . 1 1 23 23 MET H H 23 8.008 8.008 7.534 0.474 18801 8416 1 17 . 1 1 24 24 GLU N N 24 118.261 118.261 118.937 -0.676 18801 8417 1 17 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.215 -0.210 18801 8418 1 17 . 1 1 24 24 GLU C C 24 175.157 175.157 178.081 -2.924 18801 8419 1 17 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.198 -1.735 18801 8420 1 17 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.082 -3.831 18801 8421 1 17 . 1 1 24 24 GLU H H 24 7.527 7.527 7.795 -0.268 18801 8422 1 17 . 1 1 25 25 LYS N N 25 121.138 121.138 119.852 1.286 18801 8423 1 17 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.091 -0.082 18801 8424 1 17 . 1 1 25 25 LYS C C 25 174.603 174.603 179.114 -4.511 18801 8425 1 17 . 1 1 25 25 LYS CA C 25 56.861 56.861 59.205 -2.344 18801 8426 1 17 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.648 -2.840 18801 8427 1 17 . 1 1 25 25 LYS H H 25 7.645 7.645 8.133 -0.488 18801 8428 1 17 . 1 1 26 26 LEU N N 26 121.410 121.410 119.011 2.399 18801 8429 1 17 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.122 0.059 18801 8430 1 17 . 1 1 26 26 LEU C C 26 172.921 172.921 179.158 -6.237 18801 8431 1 17 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.301 -2.394 18801 8432 1 17 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.526 -3.021 18801 8433 1 17 . 1 1 26 26 LEU H H 26 8.617 8.617 7.789 0.828 18801 8434 1 17 . 1 1 27 27 LYS N N 27 121.975 121.975 119.593 2.382 18801 8435 1 17 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.006 0.017 18801 8436 1 17 . 1 1 27 27 LYS C C 27 176.493 176.493 177.722 -1.229 18801 8437 1 17 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.763 -2.151 18801 8438 1 17 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.148 -2.890 18801 8439 1 17 . 1 1 27 27 LYS H H 27 8.239 8.239 7.846 0.393 18801 8440 1 17 . 1 1 28 28 SER N N 28 113.123 113.123 112.013 1.110 18801 8441 1 17 . 1 1 28 28 SER HA H 28 4.472 4.472 4.375 0.097 18801 8442 1 17 . 1 1 28 28 SER C C 28 180.378 180.378 175.084 5.294 18801 8443 1 17 . 1 1 28 28 SER CA C 28 56.232 56.232 59.299 -3.067 18801 8444 1 17 . 1 1 28 28 SER CB C 28 60.798 60.798 64.528 -3.731 18801 8445 1 17 . 1 1 28 28 SER H H 28 7.620 7.620 7.860 -0.240 18801 8446 1 17 . 1 1 29 29 GLY N N 29 107.497 107.497 109.181 -1.684 18801 8447 1 17 . 1 1 29 29 GLY C C 29 179.552 179.552 173.914 5.638 18801 8448 1 17 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.888 -2.840 18801 8449 1 17 . 1 1 29 29 GLY H H 29 7.667 7.667 7.826 -0.159 18801 8450 1 17 . 1 1 30 30 GLU N N 30 121.320 121.320 119.751 1.569 18801 8451 1 17 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.465 -0.242 18801 8452 1 17 . 1 1 30 30 GLU C C 30 178.900 178.900 175.675 3.225 18801 8453 1 17 . 1 1 30 30 GLU CA C 30 54.202 54.202 54.971 -0.769 18801 8454 1 17 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.014 -3.933 18801 8455 1 17 . 1 1 30 30 GLU H H 30 7.690 7.690 7.915 -0.225 18801 8456 1 17 . 1 1 31 31 LYS N N 31 122.239 122.239 119.887 2.352 18801 8457 1 17 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.642 -0.411 18801 8458 1 17 . 1 1 31 31 LYS C C 31 177.152 177.152 177.397 -0.245 18801 8459 1 17 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.454 -1.120 18801 8460 1 17 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.773 -3.638 18801 8461 1 17 . 1 1 31 31 LYS H H 31 8.793 8.793 8.227 0.566 18801 8462 1 17 . 1 1 32 32 PHE N N 32 126.167 126.167 126.093 0.074 18801 8463 1 17 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.224 -0.589 18801 8464 1 17 . 1 1 32 32 PHE C C 32 177.437 177.437 176.823 0.614 18801 8465 1 17 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.830 -1.748 18801 8466 1 17 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.540 -2.014 18801 8467 1 17 . 1 1 32 32 PHE H H 32 9.002 9.002 9.164 -0.162 18801 8468 1 17 . 1 1 33 33 GLY N N 33 103.648 103.648 105.766 -2.118 18801 8469 1 17 . 1 1 33 33 GLY C C 33 179.280 179.280 175.839 3.441 18801 8470 1 17 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.357 -2.198 18801 8471 1 17 . 1 1 33 33 GLY H H 33 9.168 9.168 8.590 0.578 18801 8472 1 17 . 1 1 34 34 LYS N N 34 120.972 120.972 121.071 -0.099 18801 8473 1 17 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.110 -0.140 18801 8474 1 17 . 1 1 34 34 LYS C C 34 176.326 176.326 177.408 -1.082 18801 8475 1 17 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.630 -2.389 18801 8476 1 17 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.403 -2.068 18801 8477 1 17 . 1 1 34 34 LYS H H 34 6.642 6.642 7.782 -1.140 18801 8478 1 17 . 1 1 35 35 LEU N N 35 118.154 118.154 116.023 2.131 18801 8479 1 17 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.513 -0.610 18801 8480 1 17 . 1 1 35 35 LEU C C 35 175.872 175.872 177.593 -1.721 18801 8481 1 17 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.204 -0.712 18801 8482 1 17 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.960 -4.190 18801 8483 1 17 . 1 1 35 35 LEU H H 35 7.425 7.425 7.315 0.110 18801 8484 1 17 . 1 1 36 36 ALA N N 36 120.438 120.438 123.061 -2.623 18801 8485 1 17 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.934 -0.244 18801 8486 1 17 . 1 1 36 36 ALA C C 36 176.117 176.117 178.017 -1.900 18801 8487 1 17 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.634 -2.060 18801 8488 1 17 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.446 -3.715 18801 8489 1 17 . 1 1 36 36 ALA H H 36 8.229 8.229 7.755 0.474 18801 8490 1 17 . 1 1 37 37 LYS N N 37 116.463 116.463 115.117 1.346 18801 8491 1 17 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.613 -0.566 18801 8492 1 17 . 1 1 37 37 LYS C C 37 175.232 175.232 176.507 -1.275 18801 8493 1 17 . 1 1 37 37 LYS CA C 37 56.418 56.418 56.864 -0.446 18801 8494 1 17 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.643 -2.686 18801 8495 1 17 . 1 1 37 37 LYS H H 37 7.568 7.568 7.681 -0.113 18801 8496 1 17 . 1 1 38 38 GLU N N 38 115.319 115.319 117.476 -2.157 18801 8497 1 17 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.424 -0.390 18801 8498 1 17 . 1 1 38 38 GLU C C 38 176.423 176.423 177.148 -0.725 18801 8499 1 17 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.947 -1.178 18801 8500 1 17 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.820 -2.531 18801 8501 1 17 . 1 1 38 38 GLU H H 38 7.766 7.766 7.560 0.206 18801 8502 1 17 . 1 1 39 39 LEU N N 39 114.689 114.689 120.220 -5.531 18801 8503 1 17 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.068 0.427 18801 8504 1 17 . 1 1 39 39 LEU C C 39 177.452 177.452 177.857 -0.405 18801 8505 1 17 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.780 -4.735 18801 8506 1 17 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.450 -0.630 18801 8507 1 17 . 1 1 39 39 LEU H H 39 8.214 8.214 8.052 0.162 18801 8508 1 17 . 1 1 40 40 SER N N 40 110.112 110.112 114.085 -3.973 18801 8509 1 17 . 1 1 40 40 SER HA H 40 4.617 4.617 4.384 0.233 18801 8510 1 17 . 1 1 40 40 SER C C 40 177.179 177.179 175.664 1.515 18801 8511 1 17 . 1 1 40 40 SER CA C 40 54.102 54.102 59.059 -4.957 18801 8512 1 17 . 1 1 40 40 SER CB C 40 62.559 62.559 62.745 -0.187 18801 8513 1 17 . 1 1 40 40 SER H H 40 7.848 7.848 7.486 0.362 18801 8514 1 17 . 1 1 41 41 ILE N N 41 119.941 119.941 120.889 -0.948 18801 8515 1 17 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.098 0.272 18801 8516 1 17 . 1 1 41 41 ILE C C 41 178.010 178.010 176.111 1.899 18801 8517 1 17 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.730 -2.852 18801 8518 1 17 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.243 -3.898 18801 8519 1 17 . 1 1 41 41 ILE H H 41 9.126 9.126 7.614 1.512 18801 8520 1 17 . 1 1 42 42 ASP N N 42 120.547 120.547 122.111 -1.564 18801 8521 1 17 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.433 0.400 18801 8522 1 17 . 1 1 42 42 ASP C C 42 179.215 179.215 176.285 2.930 18801 8523 1 17 . 1 1 42 42 ASP CA C 42 49.318 49.318 55.091 -5.773 18801 8524 1 17 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.529 -4.313 18801 8525 1 17 . 1 1 42 42 ASP H H 42 7.476 7.476 8.019 -0.543 18801 8526 1 17 . 1 1 43 43 SER N N 43 122.805 122.805 121.245 1.560 18801 8527 1 17 . 1 1 43 43 SER HA H 43 4.115 4.115 4.447 -0.332 18801 8528 1 17 . 1 1 43 43 SER C C 43 178.349 178.349 174.226 4.123 18801 8529 1 17 . 1 1 43 43 SER CA C 43 58.425 58.425 58.646 -0.221 18801 8530 1 17 . 1 1 43 43 SER CB C 43 59.904 59.904 61.580 -1.676 18801 8531 1 17 . 1 1 43 43 SER H H 43 8.215 8.215 8.593 -0.378 18801 8532 1 17 . 1 1 44 44 GLY N N 44 107.974 107.974 111.518 -3.544 18801 8533 1 17 . 1 1 44 44 GLY C C 44 179.677 179.677 174.624 5.053 18801 8534 1 17 . 1 1 44 44 GLY CA C 44 43.811 43.811 46.170 -2.359 18801 8535 1 17 . 1 1 44 44 GLY H H 44 8.384 8.384 8.032 0.352 18801 8536 1 17 . 1 1 45 45 SER N N 45 110.539 110.539 118.056 -7.517 18801 8537 1 17 . 1 1 45 45 SER HA H 45 4.493 4.493 4.798 -0.305 18801 8538 1 17 . 1 1 45 45 SER C C 45 176.530 176.530 174.966 1.564 18801 8539 1 17 . 1 1 45 45 SER CA C 45 56.718 56.718 59.056 -2.337 18801 8540 1 17 . 1 1 45 45 SER CB C 45 62.291 62.291 63.868 -1.577 18801 8541 1 17 . 1 1 45 45 SER H H 45 7.177 7.177 8.050 -0.873 18801 8542 1 17 . 1 1 46 46 ALA N N 46 132.579 132.579 125.082 7.497 18801 8543 1 17 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.370 -0.632 18801 8544 1 17 . 1 1 46 46 ALA C C 46 175.404 175.404 178.106 -2.702 18801 8545 1 17 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.334 -0.146 18801 8546 1 17 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.543 -2.606 18801 8547 1 17 . 1 1 46 46 ALA H H 46 8.726 8.726 7.480 1.246 18801 8548 1 17 . 1 1 47 47 LYS N N 47 111.990 111.990 114.347 -2.357 18801 8549 1 17 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.219 -0.112 18801 8550 1 17 . 1 1 47 47 LYS C C 47 177.450 177.450 175.844 1.606 18801 8551 1 17 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.269 -2.160 18801 8552 1 17 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.616 -3.767 18801 8553 1 17 . 1 1 47 47 LYS H H 47 7.668 7.668 8.373 -0.705 18801 8554 1 17 . 1 1 48 48 LYS N N 48 118.900 118.900 117.254 1.646 18801 8555 1 17 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.511 0.092 18801 8556 1 17 . 1 1 48 48 LYS C C 48 177.786 177.786 175.663 2.123 18801 8557 1 17 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.712 -3.198 18801 8558 1 17 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.923 -3.465 18801 8559 1 17 . 1 1 48 48 LYS H H 48 7.382 7.382 7.521 -0.139 18801 8560 1 17 . 1 1 49 49 ASN N N 49 115.995 115.995 116.993 -0.998 18801 8561 1 17 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.361 -0.103 18801 8562 1 17 . 1 1 49 49 ASN C C 49 180.354 180.354 175.893 4.461 18801 8563 1 17 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.234 -1.820 18801 8564 1 17 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.377 -4.055 18801 8565 1 17 . 1 1 49 49 ASN H H 49 8.021 8.021 8.332 -0.311 18801 8566 1 17 . 1 1 50 50 GLY N N 50 104.621 104.621 102.161 2.460 18801 8567 1 17 . 1 1 50 50 GLY C C 50 180.665 180.665 173.395 7.270 18801 8568 1 17 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.934 -3.401 18801 8569 1 17 . 1 1 50 50 GLY H H 50 8.512 8.512 8.820 -0.308 18801 8570 1 17 . 1 1 51 51 ASN N N 51 118.054 118.054 118.352 -0.298 18801 8571 1 17 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.596 0.203 18801 8572 1 17 . 1 1 51 51 ASN C C 51 179.848 179.848 175.513 4.335 18801 8573 1 17 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.031 0.062 18801 8574 1 17 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.493 -2.696 18801 8575 1 17 . 1 1 51 51 ASN H H 51 7.146 7.146 7.667 -0.521 18801 8576 1 17 . 1 1 52 52 LEU N N 52 126.673 126.673 119.349 7.324 18801 8577 1 17 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.233 0.087 18801 8578 1 17 . 1 1 52 52 LEU C C 52 176.682 176.682 177.741 -1.059 18801 8579 1 17 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.301 -3.861 18801 8580 1 17 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.552 -1.090 18801 8581 1 17 . 1 1 52 52 LEU H H 52 8.607 8.607 7.745 0.862 18801 8582 1 17 . 1 1 53 53 GLY N N 53 108.525 108.525 106.875 1.650 18801 8583 1 17 . 1 1 53 53 GLY C C 53 182.708 182.708 173.916 8.792 18801 8584 1 17 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.340 -3.738 18801 8585 1 17 . 1 1 53 53 GLY H H 53 8.121 8.121 7.429 0.692 18801 8586 1 17 . 1 1 54 54 TYR N N 54 114.992 114.992 122.939 -7.947 18801 8587 1 17 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.093 0.089 18801 8588 1 17 . 1 1 54 54 TYR C C 54 176.195 176.195 176.560 -0.365 18801 8589 1 17 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.919 -2.893 18801 8590 1 17 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.490 -2.095 18801 8591 1 17 . 1 1 54 54 TYR H H 54 8.187 8.187 8.470 -0.283 18801 8592 1 17 . 1 1 55 55 PHE N N 55 118.041 118.041 122.156 -4.115 18801 8593 1 17 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.003 0.100 18801 8594 1 17 . 1 1 55 55 PHE C C 55 181.875 181.875 173.509 8.366 18801 8595 1 17 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.947 -3.022 18801 8596 1 17 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.336 -3.169 18801 8597 1 17 . 1 1 55 55 PHE H H 55 9.093 9.093 8.553 0.540 18801 8598 1 17 . 1 1 56 56 THR N N 56 109.577 109.577 108.933 0.644 18801 8599 1 17 . 1 1 56 56 THR HA H 56 5.267 5.267 3.989 1.278 18801 8600 1 17 . 1 1 56 56 THR C C 56 178.403 178.403 173.624 4.779 18801 8601 1 17 . 1 1 56 56 THR CA C 56 56.522 56.522 60.482 -3.960 18801 8602 1 17 . 1 1 56 56 THR CB C 56 69.673 69.673 71.653 -1.980 18801 8603 1 17 . 1 1 56 56 THR H H 56 7.949 7.949 7.859 0.090 18801 8604 1 17 . 1 1 57 57 LYS N N 57 121.639 121.639 121.552 0.087 18801 8605 1 17 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.338 -0.343 18801 8606 1 17 . 1 1 57 57 LYS C C 57 176.706 176.706 176.939 -0.233 18801 8607 1 17 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.321 -1.626 18801 8608 1 17 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.904 -2.520 18801 8609 1 17 . 1 1 57 57 LYS H H 57 8.703 8.703 8.661 0.042 18801 8610 1 17 . 1 1 58 58 GLY N N 58 114.416 114.416 112.552 1.864 18801 8611 1 17 . 1 1 58 58 GLY C C 58 180.079 180.079 174.875 5.204 18801 8612 1 17 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.147 -2.788 18801 8613 1 17 . 1 1 58 58 GLY H H 58 10.495 10.495 9.006 1.489 18801 8614 1 17 . 1 1 59 59 MET N N 59 118.231 118.231 118.350 -0.119 18801 8615 1 17 . 1 1 59 59 MET HA H 59 4.366 4.366 4.638 -0.272 18801 8616 1 17 . 1 1 59 59 MET C C 59 178.798 178.798 175.885 2.913 18801 8617 1 17 . 1 1 59 59 MET CA C 59 55.129 55.129 55.934 -0.805 18801 8618 1 17 . 1 1 59 59 MET CB C 59 32.196 32.196 33.597 -1.401 18801 8619 1 17 . 1 1 59 59 MET H H 59 7.681 7.681 7.982 -0.301 18801 8620 1 17 . 1 1 60 60 MET N N 60 118.667 118.667 117.845 0.822 18801 8621 1 17 . 1 1 60 60 MET HA H 60 4.629 4.629 4.808 -0.179 18801 8622 1 17 . 1 1 60 60 MET C C 60 178.834 178.834 174.949 3.885 18801 8623 1 17 . 1 1 60 60 MET CA C 60 49.108 49.108 53.855 -4.747 18801 8624 1 17 . 1 1 60 60 MET CB C 60 30.952 30.952 35.023 -4.071 18801 8625 1 17 . 1 1 60 60 MET H H 60 8.905 8.905 7.806 1.099 18801 8626 1 17 . 1 1 61 61 VAL N N 61 114.198 114.198 115.667 -1.469 18801 8627 1 17 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.489 -0.333 18801 8628 1 17 . 1 1 61 61 VAL C C 61 176.731 176.731 176.494 0.237 18801 8629 1 17 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.000 -0.635 18801 8630 1 17 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.685 -4.004 18801 8631 1 17 . 1 1 61 61 VAL H H 61 8.062 8.062 8.062 0.000 18801 8632 1 17 . 1 1 62 62 LYS N N 62 124.862 124.862 121.992 2.870 18801 8633 1 17 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.208 -0.059 18801 8634 1 17 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.255 -2.009 18801 8635 1 17 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.062 -3.912 18801 8636 1 17 . 1 1 62 62 LYS H H 62 8.736 8.736 8.945 -0.209 18801 8637 1 17 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.356 0.042 18801 8638 1 17 . 1 1 63 63 PRO C C 63 174.841 174.841 175.457 -0.616 18801 8639 1 17 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.520 -0.592 18801 8640 1 17 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.779 -1.552 18801 8641 1 17 . 1 1 64 64 PHE N N 64 115.340 115.340 118.488 -3.148 18801 8642 1 17 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.398 -0.764 18801 8643 1 17 . 1 1 64 64 PHE C C 64 178.782 178.782 174.372 4.410 18801 8644 1 17 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.405 -1.712 18801 8645 1 17 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.034 -2.760 18801 8646 1 17 . 1 1 64 64 PHE H H 64 6.870 6.870 8.003 -1.133 18801 8647 1 17 . 1 1 65 65 GLU N N 65 120.356 120.356 120.439 -0.083 18801 8648 1 17 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.002 -0.050 18801 8649 1 17 . 1 1 65 65 GLU C C 65 177.209 177.209 178.021 -0.812 18801 8650 1 17 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.479 -1.695 18801 8651 1 17 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.155 -2.066 18801 8652 1 17 . 1 1 65 65 GLU H H 65 8.429 8.429 8.422 0.007 18801 8653 1 17 . 1 1 66 66 ASP N N 66 117.560 117.560 120.203 -2.643 18801 8654 1 17 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.234 0.069 18801 8655 1 17 . 1 1 66 66 ASP C C 66 176.337 176.337 176.937 -0.600 18801 8656 1 17 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.555 -2.528 18801 8657 1 17 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.514 -2.992 18801 8658 1 17 . 1 1 66 66 ASP H H 66 8.925 8.925 7.576 1.349 18801 8659 1 17 . 1 1 67 67 ALA N N 67 117.959 117.959 117.962 -0.003 18801 8660 1 17 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.094 0.031 18801 8661 1 17 . 1 1 67 67 ALA C C 67 174.155 174.155 176.185 -2.030 18801 8662 1 17 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.342 -0.235 18801 8663 1 17 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.625 -0.403 18801 8664 1 17 . 1 1 67 67 ALA H H 67 6.805 6.805 8.205 -1.400 18801 8665 1 17 . 1 1 68 68 ALA N N 68 120.884 120.884 120.199 0.685 18801 8666 1 17 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.048 -0.375 18801 8667 1 17 . 1 1 68 68 ALA C C 68 175.535 175.535 176.715 -1.180 18801 8668 1 17 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.129 0.195 18801 8669 1 17 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.279 -4.324 18801 8670 1 17 . 1 1 68 68 ALA H H 68 8.836 8.836 6.876 1.960 18801 8671 1 17 . 1 1 69 69 PHE N N 69 110.173 110.173 112.510 -2.337 18801 8672 1 17 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.903 -0.901 18801 8673 1 17 . 1 1 69 69 PHE C C 69 178.751 178.751 175.310 3.441 18801 8674 1 17 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.946 2.534 18801 8675 1 17 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.434 -4.606 18801 8676 1 17 . 1 1 69 69 PHE H H 69 8.087 8.087 6.888 1.199 18801 8677 1 17 . 1 1 70 70 LYS N N 70 116.963 116.963 121.432 -4.469 18801 8678 1 17 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.415 -0.037 18801 8679 1 17 . 1 1 70 70 LYS C C 70 177.534 177.534 175.575 1.959 18801 8680 1 17 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.985 -3.383 18801 8681 1 17 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.955 -0.850 18801 8682 1 17 . 1 1 70 70 LYS H H 70 6.997 6.997 8.002 -1.005 18801 8683 1 17 . 1 1 71 71 LEU N N 71 118.952 118.952 119.828 -0.876 18801 8684 1 17 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.555 -0.361 18801 8685 1 17 . 1 1 71 71 LEU C C 71 176.388 176.388 176.664 -0.276 18801 8686 1 17 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.294 -1.325 18801 8687 1 17 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.477 -2.535 18801 8688 1 17 . 1 1 71 71 LEU H H 71 6.933 6.933 7.371 -0.438 18801 8689 1 17 . 1 1 72 72 GLN N N 72 121.738 121.738 119.264 2.474 18801 8690 1 17 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.412 -0.092 18801 8691 1 17 . 1 1 72 72 GLN C C 72 177.973 177.973 174.895 3.078 18801 8692 1 17 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.295 -3.074 18801 8693 1 17 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.254 -4.648 18801 8694 1 17 . 1 1 72 72 GLN H H 72 9.040 9.040 8.344 0.696 18801 8695 1 17 . 1 1 73 73 VAL N N 73 122.076 122.076 122.078 -0.002 18801 8696 1 17 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.934 -1.103 18801 8697 1 17 . 1 1 73 73 VAL C C 73 177.702 177.702 176.230 1.472 18801 8698 1 17 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.893 0.505 18801 8699 1 17 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.922 -3.464 18801 8700 1 17 . 1 1 73 73 VAL H H 73 8.759 8.759 8.448 0.311 18801 8701 1 17 . 1 1 74 74 GLY N N 74 117.298 117.298 115.708 1.590 18801 8702 1 17 . 1 1 74 74 GLY C C 74 181.597 181.597 173.330 8.267 18801 8703 1 17 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.688 -2.829 18801 8704 1 17 . 1 1 74 74 GLY H H 74 8.626 8.626 8.227 0.399 18801 8705 1 17 . 1 1 75 75 GLU N N 75 122.135 122.135 120.557 1.578 18801 8706 1 17 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.636 -0.500 18801 8707 1 17 . 1 1 75 75 GLU C C 75 180.891 180.891 175.496 5.395 18801 8708 1 17 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.773 -1.410 18801 8709 1 17 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.040 -2.631 18801 8710 1 17 . 1 1 75 75 GLU H H 75 7.877 7.877 8.116 -0.239 18801 8711 1 17 . 1 1 76 76 VAL N N 76 121.950 121.950 125.351 -3.401 18801 8712 1 17 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.316 0.624 18801 8713 1 17 . 1 1 76 76 VAL C C 76 177.920 177.920 176.619 1.301 18801 8714 1 17 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.110 -5.179 18801 8715 1 17 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.336 -1.294 18801 8716 1 17 . 1 1 76 76 VAL H H 76 7.877 7.877 8.502 -0.625 18801 8717 1 17 . 1 1 77 77 SER N N 77 125.434 125.434 124.253 1.181 18801 8718 1 17 . 1 1 77 77 SER HA H 77 4.275 4.275 4.485 -0.210 18801 8719 1 17 . 1 1 77 77 SER C C 77 181.544 181.544 174.219 7.325 18801 8720 1 17 . 1 1 77 77 SER CA C 77 56.028 56.028 57.953 -1.925 18801 8721 1 17 . 1 1 77 77 SER CB C 77 62.729 62.729 65.293 -2.564 18801 8722 1 17 . 1 1 77 77 SER H H 77 9.611 9.611 9.084 0.527 18801 8723 1 17 . 1 1 78 78 GLU N N 78 114.680 114.680 116.642 -1.962 18801 8724 1 17 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.768 -0.157 18801 8725 1 17 . 1 1 78 78 GLU CA C 78 52.746 52.746 52.415 0.331 18801 8726 1 17 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.873 -4.369 18801 8727 1 17 . 1 1 78 78 GLU H H 78 7.589 7.589 8.564 -0.975 18801 8728 1 17 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.524 0.206 18801 8729 1 17 . 1 1 79 79 PRO C C 79 177.642 177.642 175.741 1.901 18801 8730 1 17 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.822 -2.344 18801 8731 1 17 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.813 -2.513 18801 8732 1 17 . 1 1 80 80 ILE N N 80 127.418 127.418 125.247 2.171 18801 8733 1 17 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.126 0.374 18801 8734 1 17 . 1 1 80 80 ILE C C 80 179.315 179.315 175.891 3.424 18801 8735 1 17 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.333 -4.625 18801 8736 1 17 . 1 1 80 80 ILE CB C 80 37.118 37.118 36.988 0.130 18801 8737 1 17 . 1 1 80 80 ILE H H 80 9.614 9.614 8.119 1.495 18801 8738 1 17 . 1 1 81 81 LYS N N 81 129.156 129.156 129.972 -0.816 18801 8739 1 17 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.117 0.159 18801 8740 1 17 . 1 1 81 81 LYS C C 81 179.186 179.186 175.588 3.598 18801 8741 1 17 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.118 -4.238 18801 8742 1 17 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.675 -1.870 18801 8743 1 17 . 1 1 81 81 LYS H H 81 8.637 8.637 8.772 -0.135 18801 8744 1 17 . 1 1 82 82 SER N N 82 125.346 125.346 121.439 3.907 18801 8745 1 17 . 1 1 82 82 SER HA H 82 4.836 4.836 4.721 0.115 18801 8746 1 17 . 1 1 82 82 SER C C 82 179.369 179.369 174.012 5.357 18801 8747 1 17 . 1 1 82 82 SER CA C 82 53.893 53.893 56.073 -2.180 18801 8748 1 17 . 1 1 82 82 SER CB C 82 64.579 64.579 65.073 -0.494 18801 8749 1 17 . 1 1 82 82 SER H H 82 9.532 9.532 7.962 1.570 18801 8750 1 17 . 1 1 83 83 GLU N N 83 118.760 118.760 120.095 -1.335 18801 8751 1 17 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.002 0.046 18801 8752 1 17 . 1 1 83 83 GLU C C 83 177.803 177.803 176.905 0.898 18801 8753 1 17 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.847 -3.489 18801 8754 1 17 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.166 -2.821 18801 8755 1 17 . 1 1 83 83 GLU H H 83 9.535 9.535 8.622 0.913 18801 8756 1 17 . 1 1 84 84 PHE N N 84 118.360 118.360 116.890 1.470 18801 8757 1 17 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.567 -0.039 18801 8758 1 17 . 1 1 84 84 PHE C C 84 179.367 179.367 175.661 3.706 18801 8759 1 17 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.464 -2.346 18801 8760 1 17 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.528 -2.492 18801 8761 1 17 . 1 1 84 84 PHE H H 84 8.803 8.803 7.956 0.847 18801 8762 1 17 . 1 1 85 85 GLY N N 85 107.365 107.365 106.094 1.271 18801 8763 1 17 . 1 1 85 85 GLY C C 85 184.805 184.805 173.159 11.646 18801 8764 1 17 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.248 -2.570 18801 8765 1 17 . 1 1 85 85 GLY H H 85 7.323 7.323 7.256 0.067 18801 8766 1 17 . 1 1 86 86 TYR N N 86 119.303 119.303 122.797 -3.494 18801 8767 1 17 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.651 0.344 18801 8768 1 17 . 1 1 86 86 TYR C C 86 180.178 180.178 175.911 4.267 18801 8769 1 17 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.733 -4.357 18801 8770 1 17 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.204 0.239 18801 8771 1 17 . 1 1 86 86 TYR H H 86 8.990 8.990 8.000 0.990 18801 8772 1 17 . 1 1 87 87 HIS N N 87 120.588 120.588 124.188 -3.600 18801 8773 1 17 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.174 0.357 18801 8774 1 17 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.952 -4.479 18801 8775 1 17 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.372 -3.193 18801 8776 1 17 . 1 1 87 87 HIS H H 87 9.791 9.791 8.671 1.120 18801 8777 1 17 . 1 1 88 88 ILE N N 88 122.986 122.986 127.543 -4.557 18801 8778 1 17 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.487 -0.442 18801 8779 1 17 . 1 1 88 88 ILE C C 88 179.375 179.375 175.696 3.679 18801 8780 1 17 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.171 0.052 18801 8781 1 17 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.589 0.764 18801 8782 1 17 . 1 1 88 88 ILE H H 88 9.161 9.161 8.273 0.888 18801 8783 1 17 . 1 1 89 89 ILE N N 89 128.220 128.220 128.760 -0.540 18801 8784 1 17 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.499 0.282 18801 8785 1 17 . 1 1 89 89 ILE C C 89 181.174 181.174 174.978 6.196 18801 8786 1 17 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.078 -3.350 18801 8787 1 17 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.584 0.012 18801 8788 1 17 . 1 1 89 89 ILE H H 89 8.568 8.568 8.100 0.468 18801 8789 1 17 . 1 1 90 90 LYS N N 90 125.284 125.284 127.143 -1.859 18801 8790 1 17 . 1 1 90 90 LYS HA H 90 5.164 5.164 4.981 0.183 18801 8791 1 17 . 1 1 90 90 LYS C C 90 179.565 179.565 175.561 4.004 18801 8792 1 17 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.263 -2.892 18801 8793 1 17 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.607 -2.952 18801 8794 1 17 . 1 1 90 90 LYS H H 90 8.580 8.580 7.811 0.769 18801 8795 1 17 . 1 1 91 91 ARG N N 91 126.331 126.331 127.258 -0.927 18801 8796 1 17 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.415 0.602 18801 8797 1 17 . 1 1 91 91 ARG C C 91 179.376 179.376 175.367 4.009 18801 8798 1 17 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.546 -4.633 18801 8799 1 17 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.980 -3.418 18801 8800 1 17 . 1 1 91 91 ARG H H 91 7.641 7.641 8.166 -0.525 18801 8801 1 17 . 1 1 92 92 PHE N N 92 127.260 127.260 123.510 3.750 18801 8802 1 17 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.598 -0.091 18801 8803 1 17 . 1 1 92 92 PHE C C 92 179.492 179.492 176.584 2.908 18801 8804 1 17 . 1 1 92 92 PHE CA C 92 56.238 56.238 57.983 -1.745 18801 8805 1 17 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.879 -1.273 18801 8806 1 17 . 1 1 92 92 PHE H H 92 9.044 9.044 8.137 0.907 18801 8807 1 18 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.621 -0.152 18801 8808 1 18 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.823 -2.574 18801 8809 1 18 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.503 -2.967 18801 8810 1 18 . 1 1 3 3 SER N N 3 116.356 116.356 120.987 -4.631 18801 8811 1 18 . 1 1 3 3 SER HA H 3 4.457 4.457 4.547 -0.090 18801 8812 1 18 . 1 1 3 3 SER CA C 3 55.255 55.255 58.032 -2.777 18801 8813 1 18 . 1 1 3 3 SER CB C 3 61.066 61.066 62.217 -1.151 18801 8814 1 18 . 1 1 3 3 SER H H 3 8.502 8.502 8.601 -0.099 18801 8815 1 18 . 1 1 4 4 ASN N N 4 120.863 120.863 120.085 0.778 18801 8816 1 18 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.618 0.078 18801 8817 1 18 . 1 1 4 4 ASN C C 4 180.499 180.499 174.340 6.159 18801 8818 1 18 . 1 1 4 4 ASN CA C 4 50.736 50.736 54.974 -4.238 18801 8819 1 18 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.715 -3.914 18801 8820 1 18 . 1 1 4 4 ASN H H 4 8.463 8.463 7.928 0.535 18801 8821 1 18 . 1 1 5 5 LYS N N 5 119.444 119.444 115.381 4.063 18801 8822 1 18 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.131 -0.035 18801 8823 1 18 . 1 1 5 5 LYS C C 5 179.306 179.306 174.534 4.772 18801 8824 1 18 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.501 -2.552 18801 8825 1 18 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.491 -3.850 18801 8826 1 18 . 1 1 5 5 LYS H H 5 7.965 7.965 7.723 0.242 18801 8827 1 18 . 1 1 6 6 ILE N N 6 115.941 115.941 113.648 2.293 18801 8828 1 18 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.653 0.908 18801 8829 1 18 . 1 1 6 6 ILE C C 6 183.130 183.130 174.367 8.763 18801 8830 1 18 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.363 -2.645 18801 8831 1 18 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.021 -2.317 18801 8832 1 18 . 1 1 6 6 ILE H H 6 8.133 8.133 7.982 0.151 18801 8833 1 18 . 1 1 7 7 LYS N N 7 122.265 122.265 124.275 -2.010 18801 8834 1 18 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.478 0.277 18801 8835 1 18 . 1 1 7 7 LYS C C 7 177.364 177.364 176.599 0.765 18801 8836 1 18 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.773 -6.545 18801 8837 1 18 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.025 -1.839 18801 8838 1 18 . 1 1 7 7 LYS H H 7 8.155 8.155 8.246 -0.091 18801 8839 1 18 . 1 1 8 8 CYS N N 8 118.452 118.452 122.500 -4.048 18801 8840 1 18 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.287 0.468 18801 8841 1 18 . 1 1 8 8 CYS C C 8 181.803 181.803 172.824 8.979 18801 8842 1 18 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.960 -4.360 18801 8843 1 18 . 1 1 8 8 CYS CB C 8 30.585 30.585 31.685 -1.100 18801 8844 1 18 . 1 1 8 8 CYS H H 8 7.243 7.243 8.808 -1.565 18801 8845 1 18 . 1 1 9 9 SER N N 9 115.559 115.559 114.145 1.414 18801 8846 1 18 . 1 1 9 9 SER HA H 9 5.777 5.777 5.465 0.312 18801 8847 1 18 . 1 1 9 9 SER C C 9 181.609 181.609 173.076 8.533 18801 8848 1 18 . 1 1 9 9 SER CA C 9 53.256 53.256 56.578 -3.322 18801 8849 1 18 . 1 1 9 9 SER CB C 9 64.431 64.431 65.866 -1.435 18801 8850 1 18 . 1 1 9 9 SER H H 9 9.148 9.148 8.429 0.719 18801 8851 1 18 . 1 1 10 10 HIS N N 10 119.227 119.227 113.634 5.593 18801 8852 1 18 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.296 1.195 18801 8853 1 18 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.975 -4.731 18801 8854 1 18 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.383 2.265 18801 8855 1 18 . 1 1 10 10 HIS H H 10 9.626 9.626 9.074 0.552 18801 8856 1 18 . 1 1 11 11 ILE N N 11 121.859 121.859 121.364 0.495 18801 8857 1 18 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.252 -0.844 18801 8858 1 18 . 1 1 11 11 ILE C C 11 182.235 182.235 174.219 8.016 18801 8859 1 18 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.388 -1.780 18801 8860 1 18 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.010 -2.453 18801 8861 1 18 . 1 1 11 11 ILE H H 11 8.978 8.978 8.940 0.038 18801 8862 1 18 . 1 1 12 12 LEU N N 12 128.789 128.789 129.092 -0.303 18801 8863 1 18 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.403 -0.355 18801 8864 1 18 . 1 1 12 12 LEU C C 12 180.111 180.111 176.723 3.388 18801 8865 1 18 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.287 -3.758 18801 8866 1 18 . 1 1 12 12 LEU CB C 12 42.274 42.274 42.577 -0.303 18801 8867 1 18 . 1 1 12 12 LEU H H 12 7.659 7.659 8.025 -0.366 18801 8868 1 18 . 1 1 13 13 VAL N N 13 117.652 117.652 118.827 -1.175 18801 8869 1 18 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.578 0.345 18801 8870 1 18 . 1 1 13 13 VAL C C 13 178.956 178.956 175.735 3.221 18801 8871 1 18 . 1 1 13 13 VAL CA C 13 56.356 56.356 60.153 -3.797 18801 8872 1 18 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.377 -2.132 18801 8873 1 18 . 1 1 13 13 VAL H H 13 8.916 8.916 7.567 1.349 18801 8874 1 18 . 1 1 14 14 SER N N 14 115.236 115.236 114.834 0.402 18801 8875 1 18 . 1 1 14 14 SER HA H 14 4.591 4.591 4.454 0.137 18801 8876 1 18 . 1 1 14 14 SER C C 14 179.440 179.440 173.775 5.665 18801 8877 1 18 . 1 1 14 14 SER CA C 14 58.302 58.302 58.836 -0.534 18801 8878 1 18 . 1 1 14 14 SER CB C 14 61.585 61.585 63.435 -1.850 18801 8879 1 18 . 1 1 14 14 SER H H 14 8.799 8.799 8.717 0.082 18801 8880 1 18 . 1 1 15 15 LYS N N 15 117.100 117.100 117.671 -0.571 18801 8881 1 18 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.750 0.063 18801 8882 1 18 . 1 1 15 15 LYS C C 15 178.183 178.183 176.246 1.937 18801 8883 1 18 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.151 -3.353 18801 8884 1 18 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.003 -2.047 18801 8885 1 18 . 1 1 15 15 LYS H H 15 7.749 7.749 7.651 0.098 18801 8886 1 18 . 1 1 16 16 GLN N N 16 126.339 126.339 122.036 4.303 18801 8887 1 18 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.628 -1.083 18801 8888 1 18 . 1 1 16 16 GLN C C 16 176.604 176.604 177.612 -1.008 18801 8889 1 18 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.954 -2.515 18801 8890 1 18 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.286 -3.522 18801 8891 1 18 . 1 1 16 16 GLN H H 16 8.810 8.810 9.185 -0.375 18801 8892 1 18 . 1 1 17 17 SER N N 17 112.691 112.691 112.058 0.633 18801 8893 1 18 . 1 1 17 17 SER HA H 17 3.841 3.841 4.179 -0.338 18801 8894 1 18 . 1 1 17 17 SER C C 17 176.880 176.880 175.216 1.664 18801 8895 1 18 . 1 1 17 17 SER CA C 17 58.169 58.169 60.879 -2.710 18801 8896 1 18 . 1 1 17 17 SER CB C 17 58.144 58.144 62.635 -4.491 18801 8897 1 18 . 1 1 17 17 SER H H 17 8.637 8.637 8.366 0.271 18801 8898 1 18 . 1 1 18 18 GLU N N 18 122.640 122.640 119.318 3.322 18801 8899 1 18 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.387 -0.343 18801 8900 1 18 . 1 1 18 18 GLU C C 18 176.035 176.035 177.147 -1.112 18801 8901 1 18 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.594 -2.543 18801 8902 1 18 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.519 -3.616 18801 8903 1 18 . 1 1 18 18 GLU H H 18 6.560 6.560 7.696 -1.136 18801 8904 1 18 . 1 1 19 19 ALA N N 19 122.963 122.963 121.446 1.517 18801 8905 1 18 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.121 -0.316 18801 8906 1 18 . 1 1 19 19 ALA C C 19 175.728 175.728 179.810 -4.082 18801 8907 1 18 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.941 -2.991 18801 8908 1 18 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.970 -4.480 18801 8909 1 18 . 1 1 19 19 ALA H H 19 7.435 7.435 7.643 -0.208 18801 8910 1 18 . 1 1 20 20 LEU N N 20 117.683 117.683 119.736 -2.053 18801 8911 1 18 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.097 -0.196 18801 8912 1 18 . 1 1 20 20 LEU C C 20 174.983 174.983 178.231 -3.248 18801 8913 1 18 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.611 -1.602 18801 8914 1 18 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.838 -2.997 18801 8915 1 18 . 1 1 20 20 LEU H H 20 8.204 8.204 8.238 -0.034 18801 8916 1 18 . 1 1 21 21 ALA N N 21 122.191 122.191 122.173 0.018 18801 8917 1 18 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.144 -0.000 18801 8918 1 18 . 1 1 21 21 ALA C C 21 173.510 173.510 179.027 -5.517 18801 8919 1 18 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.428 -2.342 18801 8920 1 18 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.752 -2.890 18801 8921 1 18 . 1 1 21 21 ALA H H 21 7.432 7.432 7.957 -0.525 18801 8922 1 18 . 1 1 22 22 ILE N N 22 120.079 120.079 118.922 1.157 18801 8923 1 18 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.830 -0.427 18801 8924 1 18 . 1 1 22 22 ILE C C 22 177.128 177.128 177.433 -0.305 18801 8925 1 18 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.330 -1.052 18801 8926 1 18 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.168 -2.861 18801 8927 1 18 . 1 1 22 22 ILE H H 22 7.649 7.649 7.495 0.154 18801 8928 1 18 . 1 1 23 23 MET N N 23 118.682 118.682 115.146 3.536 18801 8929 1 18 . 1 1 23 23 MET HA H 23 4.260 4.260 4.500 -0.240 18801 8930 1 18 . 1 1 23 23 MET C C 23 175.086 175.086 176.965 -1.879 18801 8931 1 18 . 1 1 23 23 MET CA C 23 54.737 54.737 57.894 -3.157 18801 8932 1 18 . 1 1 23 23 MET CB C 23 27.240 27.240 33.051 -5.811 18801 8933 1 18 . 1 1 23 23 MET H H 23 8.008 8.008 7.616 0.392 18801 8934 1 18 . 1 1 24 24 GLU N N 24 118.261 118.261 120.255 -1.994 18801 8935 1 18 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.326 -0.321 18801 8936 1 18 . 1 1 24 24 GLU C C 24 175.157 175.157 178.340 -3.183 18801 8937 1 18 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.138 -1.675 18801 8938 1 18 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.132 -3.881 18801 8939 1 18 . 1 1 24 24 GLU H H 24 7.527 7.527 7.908 -0.381 18801 8940 1 18 . 1 1 25 25 LYS N N 25 121.138 121.138 119.329 1.809 18801 8941 1 18 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.119 -0.110 18801 8942 1 18 . 1 1 25 25 LYS C C 25 174.603 174.603 179.114 -4.511 18801 8943 1 18 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.874 -2.013 18801 8944 1 18 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.419 -2.611 18801 8945 1 18 . 1 1 25 25 LYS H H 25 7.645 7.645 8.283 -0.638 18801 8946 1 18 . 1 1 26 26 LEU N N 26 121.410 121.410 118.914 2.496 18801 8947 1 18 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.150 0.031 18801 8948 1 18 . 1 1 26 26 LEU C C 26 172.921 172.921 179.162 -6.241 18801 8949 1 18 . 1 1 26 26 LEU CA C 26 54.907 54.907 57.176 -2.269 18801 8950 1 18 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.382 -2.877 18801 8951 1 18 . 1 1 26 26 LEU H H 26 8.617 8.617 7.765 0.852 18801 8952 1 18 . 1 1 27 27 LYS N N 27 121.975 121.975 119.527 2.448 18801 8953 1 18 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.005 0.018 18801 8954 1 18 . 1 1 27 27 LYS C C 27 176.493 176.493 177.419 -0.926 18801 8955 1 18 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.921 -2.309 18801 8956 1 18 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.088 -2.830 18801 8957 1 18 . 1 1 27 27 LYS H H 27 8.239 8.239 8.049 0.190 18801 8958 1 18 . 1 1 28 28 SER N N 28 113.123 113.123 112.319 0.804 18801 8959 1 18 . 1 1 28 28 SER HA H 28 4.472 4.472 4.444 0.028 18801 8960 1 18 . 1 1 28 28 SER C C 28 180.378 180.378 174.587 5.791 18801 8961 1 18 . 1 1 28 28 SER CA C 28 56.232 56.232 59.427 -3.195 18801 8962 1 18 . 1 1 28 28 SER CB C 28 60.798 60.798 64.196 -3.398 18801 8963 1 18 . 1 1 28 28 SER H H 28 7.620 7.620 7.832 -0.212 18801 8964 1 18 . 1 1 29 29 GLY N N 29 107.497 107.497 107.860 -0.363 18801 8965 1 18 . 1 1 29 29 GLY C C 29 179.552 179.552 173.628 5.924 18801 8966 1 18 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.999 -2.951 18801 8967 1 18 . 1 1 29 29 GLY H H 29 7.667 7.667 7.743 -0.076 18801 8968 1 18 . 1 1 30 30 GLU N N 30 121.320 121.320 119.738 1.582 18801 8969 1 18 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.522 -0.299 18801 8970 1 18 . 1 1 30 30 GLU C C 30 178.900 178.900 175.711 3.189 18801 8971 1 18 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.088 -0.886 18801 8972 1 18 . 1 1 30 30 GLU CB C 30 27.081 27.081 31.047 -3.966 18801 8973 1 18 . 1 1 30 30 GLU H H 30 7.690 7.690 7.879 -0.189 18801 8974 1 18 . 1 1 31 31 LYS N N 31 122.239 122.239 120.030 2.209 18801 8975 1 18 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.711 -0.480 18801 8976 1 18 . 1 1 31 31 LYS C C 31 177.152 177.152 176.628 0.524 18801 8977 1 18 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.676 -1.342 18801 8978 1 18 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.980 -3.845 18801 8979 1 18 . 1 1 31 31 LYS H H 31 8.793 8.793 8.244 0.549 18801 8980 1 18 . 1 1 32 32 PHE N N 32 126.167 126.167 125.555 0.612 18801 8981 1 18 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.241 -0.606 18801 8982 1 18 . 1 1 32 32 PHE C C 32 177.437 177.437 177.220 0.217 18801 8983 1 18 . 1 1 32 32 PHE CA C 32 60.082 60.082 62.166 -2.084 18801 8984 1 18 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.636 -2.110 18801 8985 1 18 . 1 1 32 32 PHE H H 32 9.002 9.002 9.144 -0.142 18801 8986 1 18 . 1 1 33 33 GLY N N 33 103.648 103.648 106.047 -2.399 18801 8987 1 18 . 1 1 33 33 GLY C C 33 179.280 179.280 175.985 3.295 18801 8988 1 18 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.178 -3.019 18801 8989 1 18 . 1 1 33 33 GLY H H 33 9.168 9.168 8.717 0.451 18801 8990 1 18 . 1 1 34 34 LYS N N 34 120.972 120.972 119.950 1.022 18801 8991 1 18 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.144 -0.174 18801 8992 1 18 . 1 1 34 34 LYS C C 34 176.326 176.326 177.479 -1.153 18801 8993 1 18 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.474 -2.232 18801 8994 1 18 . 1 1 34 34 LYS CB C 34 30.335 30.335 31.914 -1.579 18801 8995 1 18 . 1 1 34 34 LYS H H 34 6.642 6.642 8.439 -1.797 18801 8996 1 18 . 1 1 35 35 LEU N N 35 118.154 118.154 116.254 1.900 18801 8997 1 18 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.466 -0.563 18801 8998 1 18 . 1 1 35 35 LEU C C 35 175.872 175.872 177.895 -2.023 18801 8999 1 18 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.672 -1.180 18801 9000 1 18 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.575 -3.805 18801 9001 1 18 . 1 1 35 35 LEU H H 35 7.425 7.425 7.551 -0.126 18801 9002 1 18 . 1 1 36 36 ALA N N 36 120.438 120.438 122.889 -2.451 18801 9003 1 18 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.982 -0.292 18801 9004 1 18 . 1 1 36 36 ALA C C 36 176.117 176.117 178.811 -2.694 18801 9005 1 18 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.868 -2.294 18801 9006 1 18 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.259 -3.528 18801 9007 1 18 . 1 1 36 36 ALA H H 36 8.229 8.229 8.119 0.110 18801 9008 1 18 . 1 1 37 37 LYS N N 37 116.463 116.463 115.135 1.328 18801 9009 1 18 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.429 -0.382 18801 9010 1 18 . 1 1 37 37 LYS C C 37 175.232 175.232 176.592 -1.360 18801 9011 1 18 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.578 -1.160 18801 9012 1 18 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.734 -2.777 18801 9013 1 18 . 1 1 37 37 LYS H H 37 7.568 7.568 7.911 -0.343 18801 9014 1 18 . 1 1 38 38 GLU N N 38 115.319 115.319 117.678 -2.359 18801 9015 1 18 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.408 -0.374 18801 9016 1 18 . 1 1 38 38 GLU C C 38 176.423 176.423 177.486 -1.063 18801 9017 1 18 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.826 -1.057 18801 9018 1 18 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.156 -2.867 18801 9019 1 18 . 1 1 38 38 GLU H H 38 7.766 7.766 7.440 0.326 18801 9020 1 18 . 1 1 39 39 LEU N N 39 114.689 114.689 119.950 -5.261 18801 9021 1 18 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.063 0.432 18801 9022 1 18 . 1 1 39 39 LEU C C 39 177.452 177.452 177.805 -0.353 18801 9023 1 18 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.989 -4.944 18801 9024 1 18 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.301 -0.481 18801 9025 1 18 . 1 1 39 39 LEU H H 39 8.214 8.214 8.069 0.145 18801 9026 1 18 . 1 1 40 40 SER N N 40 110.112 110.112 113.148 -3.036 18801 9027 1 18 . 1 1 40 40 SER HA H 40 4.617 4.617 4.412 0.205 18801 9028 1 18 . 1 1 40 40 SER C C 40 177.179 177.179 175.653 1.526 18801 9029 1 18 . 1 1 40 40 SER CA C 40 54.102 54.102 59.370 -5.268 18801 9030 1 18 . 1 1 40 40 SER CB C 40 62.559 62.559 62.682 -0.123 18801 9031 1 18 . 1 1 40 40 SER H H 40 7.848 7.848 7.603 0.245 18801 9032 1 18 . 1 1 41 41 ILE N N 41 119.941 119.941 120.299 -0.358 18801 9033 1 18 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.091 0.279 18801 9034 1 18 . 1 1 41 41 ILE C C 41 178.010 178.010 175.882 2.128 18801 9035 1 18 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.724 -2.846 18801 9036 1 18 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.313 -3.968 18801 9037 1 18 . 1 1 41 41 ILE H H 41 9.126 9.126 8.139 0.987 18801 9038 1 18 . 1 1 42 42 ASP N N 42 120.547 120.547 121.491 -0.944 18801 9039 1 18 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.459 0.374 18801 9040 1 18 . 1 1 42 42 ASP C C 42 179.215 179.215 177.186 2.029 18801 9041 1 18 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.185 -4.867 18801 9042 1 18 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.116 -3.900 18801 9043 1 18 . 1 1 42 42 ASP H H 42 7.476 7.476 7.787 -0.311 18801 9044 1 18 . 1 1 43 43 SER N N 43 122.805 122.805 122.493 0.312 18801 9045 1 18 . 1 1 43 43 SER HA H 43 4.115 4.115 4.195 -0.080 18801 9046 1 18 . 1 1 43 43 SER C C 43 178.349 178.349 176.070 2.279 18801 9047 1 18 . 1 1 43 43 SER CA C 43 58.425 58.425 60.553 -2.128 18801 9048 1 18 . 1 1 43 43 SER CB C 43 59.904 59.904 63.189 -3.285 18801 9049 1 18 . 1 1 43 43 SER H H 43 8.215 8.215 8.654 -0.439 18801 9050 1 18 . 1 1 44 44 GLY N N 44 107.974 107.974 107.390 0.584 18801 9051 1 18 . 1 1 44 44 GLY C C 44 179.677 179.677 173.444 6.233 18801 9052 1 18 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.173 -1.362 18801 9053 1 18 . 1 1 44 44 GLY H H 44 8.384 8.384 8.304 0.080 18801 9054 1 18 . 1 1 45 45 SER N N 45 110.539 110.539 116.261 -5.722 18801 9055 1 18 . 1 1 45 45 SER HA H 45 4.493 4.493 4.557 -0.064 18801 9056 1 18 . 1 1 45 45 SER C C 45 176.530 176.530 174.512 2.018 18801 9057 1 18 . 1 1 45 45 SER CA C 45 56.718 56.718 59.371 -2.653 18801 9058 1 18 . 1 1 45 45 SER CB C 45 62.291 62.291 63.403 -1.112 18801 9059 1 18 . 1 1 45 45 SER H H 45 7.177 7.177 7.576 -0.399 18801 9060 1 18 . 1 1 46 46 ALA N N 46 132.579 132.579 125.960 6.619 18801 9061 1 18 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.536 -0.798 18801 9062 1 18 . 1 1 46 46 ALA C C 46 175.404 175.404 178.940 -3.536 18801 9063 1 18 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.598 -0.411 18801 9064 1 18 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.672 -2.735 18801 9065 1 18 . 1 1 46 46 ALA H H 46 8.726 8.726 8.021 0.705 18801 9066 1 18 . 1 1 47 47 LYS N N 47 111.990 111.990 116.889 -4.899 18801 9067 1 18 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.237 -0.130 18801 9068 1 18 . 1 1 47 47 LYS C C 47 177.450 177.450 176.814 0.636 18801 9069 1 18 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.609 -2.500 18801 9070 1 18 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.778 -3.929 18801 9071 1 18 . 1 1 47 47 LYS H H 47 7.668 7.668 8.236 -0.568 18801 9072 1 18 . 1 1 48 48 LYS N N 48 118.900 118.900 116.608 2.292 18801 9073 1 18 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.537 0.066 18801 9074 1 18 . 1 1 48 48 LYS C C 48 177.786 177.786 175.699 2.087 18801 9075 1 18 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.786 -3.272 18801 9076 1 18 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.799 -3.341 18801 9077 1 18 . 1 1 48 48 LYS H H 48 7.382 7.382 7.524 -0.142 18801 9078 1 18 . 1 1 49 49 ASN N N 49 115.995 115.995 117.744 -1.749 18801 9079 1 18 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.305 -0.047 18801 9080 1 18 . 1 1 49 49 ASN C C 49 180.354 180.354 175.869 4.485 18801 9081 1 18 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.532 -2.118 18801 9082 1 18 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.460 -4.138 18801 9083 1 18 . 1 1 49 49 ASN H H 49 8.021 8.021 8.299 -0.278 18801 9084 1 18 . 1 1 50 50 GLY N N 50 104.621 104.621 103.275 1.346 18801 9085 1 18 . 1 1 50 50 GLY C C 50 180.665 180.665 173.097 7.568 18801 9086 1 18 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.789 -3.256 18801 9087 1 18 . 1 1 50 50 GLY H H 50 8.512 8.512 8.846 -0.334 18801 9088 1 18 . 1 1 51 51 ASN N N 51 118.054 118.054 118.878 -0.824 18801 9089 1 18 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.692 0.107 18801 9090 1 18 . 1 1 51 51 ASN C C 51 179.848 179.848 175.847 4.001 18801 9091 1 18 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.535 0.558 18801 9092 1 18 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.601 -2.804 18801 9093 1 18 . 1 1 51 51 ASN H H 51 7.146 7.146 8.183 -1.037 18801 9094 1 18 . 1 1 52 52 LEU N N 52 126.673 126.673 119.722 6.951 18801 9095 1 18 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.339 -0.019 18801 9096 1 18 . 1 1 52 52 LEU C C 52 176.682 176.682 177.498 -0.816 18801 9097 1 18 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.085 -3.644 18801 9098 1 18 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.633 -1.171 18801 9099 1 18 . 1 1 52 52 LEU H H 52 8.607 8.607 7.963 0.644 18801 9100 1 18 . 1 1 53 53 GLY N N 53 108.525 108.525 107.125 1.400 18801 9101 1 18 . 1 1 53 53 GLY C C 53 182.708 182.708 174.026 8.682 18801 9102 1 18 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.337 -3.735 18801 9103 1 18 . 1 1 53 53 GLY H H 53 8.121 8.121 7.488 0.633 18801 9104 1 18 . 1 1 54 54 TYR N N 54 114.992 114.992 122.436 -7.444 18801 9105 1 18 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.091 0.091 18801 9106 1 18 . 1 1 54 54 TYR C C 54 176.195 176.195 176.913 -0.718 18801 9107 1 18 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.475 -2.449 18801 9108 1 18 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.262 -1.867 18801 9109 1 18 . 1 1 54 54 TYR H H 54 8.187 8.187 8.358 -0.171 18801 9110 1 18 . 1 1 55 55 PHE N N 55 118.041 118.041 122.471 -4.430 18801 9111 1 18 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.058 0.045 18801 9112 1 18 . 1 1 55 55 PHE C C 55 181.875 181.875 173.199 8.676 18801 9113 1 18 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.169 -3.244 18801 9114 1 18 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.252 -4.085 18801 9115 1 18 . 1 1 55 55 PHE H H 55 9.093 9.093 8.797 0.296 18801 9116 1 18 . 1 1 56 56 THR N N 56 109.577 109.577 108.521 1.056 18801 9117 1 18 . 1 1 56 56 THR HA H 56 5.267 5.267 4.004 1.263 18801 9118 1 18 . 1 1 56 56 THR C C 56 178.403 178.403 173.353 5.050 18801 9119 1 18 . 1 1 56 56 THR CA C 56 56.522 56.522 59.874 -3.352 18801 9120 1 18 . 1 1 56 56 THR CB C 56 69.673 69.673 71.629 -1.956 18801 9121 1 18 . 1 1 56 56 THR H H 56 7.949 7.949 7.922 0.027 18801 9122 1 18 . 1 1 57 57 LYS N N 57 121.639 121.639 121.974 -0.335 18801 9123 1 18 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.354 -0.359 18801 9124 1 18 . 1 1 57 57 LYS C C 57 176.706 176.706 176.901 -0.195 18801 9125 1 18 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.214 -1.518 18801 9126 1 18 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.885 -2.501 18801 9127 1 18 . 1 1 57 57 LYS H H 57 8.703 8.703 8.644 0.059 18801 9128 1 18 . 1 1 58 58 GLY N N 58 114.416 114.416 112.892 1.524 18801 9129 1 18 . 1 1 58 58 GLY C C 58 180.079 180.079 174.787 5.292 18801 9130 1 18 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.200 -2.841 18801 9131 1 18 . 1 1 58 58 GLY H H 58 10.495 10.495 9.139 1.356 18801 9132 1 18 . 1 1 59 59 MET N N 59 118.231 118.231 117.768 0.463 18801 9133 1 18 . 1 1 59 59 MET HA H 59 4.366 4.366 4.730 -0.364 18801 9134 1 18 . 1 1 59 59 MET C C 59 178.798 178.798 175.794 3.004 18801 9135 1 18 . 1 1 59 59 MET CA C 59 55.129 55.129 55.399 -0.270 18801 9136 1 18 . 1 1 59 59 MET CB C 59 32.196 32.196 33.434 -1.238 18801 9137 1 18 . 1 1 59 59 MET H H 59 7.681 7.681 8.106 -0.425 18801 9138 1 18 . 1 1 60 60 MET N N 60 118.667 118.667 117.952 0.715 18801 9139 1 18 . 1 1 60 60 MET HA H 60 4.629 4.629 4.819 -0.190 18801 9140 1 18 . 1 1 60 60 MET C C 60 178.834 178.834 174.976 3.858 18801 9141 1 18 . 1 1 60 60 MET CA C 60 49.108 49.108 54.059 -4.951 18801 9142 1 18 . 1 1 60 60 MET CB C 60 30.952 30.952 35.038 -4.086 18801 9143 1 18 . 1 1 60 60 MET H H 60 8.905 8.905 7.770 1.135 18801 9144 1 18 . 1 1 61 61 VAL N N 61 114.198 114.198 115.989 -1.791 18801 9145 1 18 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.458 -0.302 18801 9146 1 18 . 1 1 61 61 VAL C C 61 176.731 176.731 176.518 0.213 18801 9147 1 18 . 1 1 61 61 VAL CA C 61 59.365 59.365 60.266 -0.901 18801 9148 1 18 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.624 -3.943 18801 9149 1 18 . 1 1 61 61 VAL H H 61 8.062 8.062 8.064 -0.002 18801 9150 1 18 . 1 1 62 62 LYS N N 62 124.862 124.862 122.590 2.272 18801 9151 1 18 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.185 -0.036 18801 9152 1 18 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.199 -1.953 18801 9153 1 18 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.749 -3.599 18801 9154 1 18 . 1 1 62 62 LYS H H 62 8.736 8.736 8.935 -0.199 18801 9155 1 18 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.353 0.045 18801 9156 1 18 . 1 1 63 63 PRO C C 63 174.841 174.841 175.459 -0.618 18801 9157 1 18 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.507 -0.578 18801 9158 1 18 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.811 -1.584 18801 9159 1 18 . 1 1 64 64 PHE N N 64 115.340 115.340 118.038 -2.698 18801 9160 1 18 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.512 -0.878 18801 9161 1 18 . 1 1 64 64 PHE C C 64 178.782 178.782 175.017 3.765 18801 9162 1 18 . 1 1 64 64 PHE CA C 64 57.693 57.693 58.867 -1.174 18801 9163 1 18 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.325 -3.051 18801 9164 1 18 . 1 1 64 64 PHE H H 64 6.870 6.870 8.001 -1.131 18801 9165 1 18 . 1 1 65 65 GLU N N 65 120.356 120.356 121.585 -1.229 18801 9166 1 18 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.036 -0.084 18801 9167 1 18 . 1 1 65 65 GLU C C 65 177.209 177.209 178.009 -0.800 18801 9168 1 18 . 1 1 65 65 GLU CA C 65 57.784 57.784 60.323 -2.539 18801 9169 1 18 . 1 1 65 65 GLU CB C 65 28.089 28.089 29.946 -1.857 18801 9170 1 18 . 1 1 65 65 GLU H H 65 8.429 8.429 8.614 -0.185 18801 9171 1 18 . 1 1 66 66 ASP N N 66 117.560 117.560 119.950 -2.390 18801 9172 1 18 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.225 0.078 18801 9173 1 18 . 1 1 66 66 ASP C C 66 176.337 176.337 175.786 0.551 18801 9174 1 18 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.551 -2.524 18801 9175 1 18 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.891 -3.369 18801 9176 1 18 . 1 1 66 66 ASP H H 66 8.925 8.925 7.747 1.178 18801 9177 1 18 . 1 1 67 67 ALA N N 67 117.959 117.959 117.772 0.187 18801 9178 1 18 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.153 -0.028 18801 9179 1 18 . 1 1 67 67 ALA C C 67 174.155 174.155 176.115 -1.960 18801 9180 1 18 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.054 0.053 18801 9181 1 18 . 1 1 67 67 ALA CB C 67 17.222 17.222 18.410 -1.188 18801 9182 1 18 . 1 1 67 67 ALA H H 67 6.805 6.805 7.018 -0.213 18801 9183 1 18 . 1 1 68 68 ALA N N 68 120.884 120.884 121.162 -0.278 18801 9184 1 18 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.126 -0.453 18801 9185 1 18 . 1 1 68 68 ALA C C 68 175.535 175.535 177.673 -2.138 18801 9186 1 18 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.552 -0.228 18801 9187 1 18 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.359 -4.404 18801 9188 1 18 . 1 1 68 68 ALA H H 68 8.836 8.836 7.042 1.794 18801 9189 1 18 . 1 1 69 69 PHE N N 69 110.173 110.173 113.904 -3.731 18801 9190 1 18 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.895 -0.893 18801 9191 1 18 . 1 1 69 69 PHE C C 69 178.751 178.751 175.789 2.962 18801 9192 1 18 . 1 1 69 69 PHE CA C 69 58.480 58.480 56.256 2.224 18801 9193 1 18 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.212 -4.384 18801 9194 1 18 . 1 1 69 69 PHE H H 69 8.087 8.087 6.701 1.386 18801 9195 1 18 . 1 1 70 70 LYS N N 70 116.963 116.963 120.203 -3.240 18801 9196 1 18 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.422 -0.044 18801 9197 1 18 . 1 1 70 70 LYS C C 70 177.534 177.534 175.776 1.758 18801 9198 1 18 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.771 -3.169 18801 9199 1 18 . 1 1 70 70 LYS CB C 70 31.105 31.105 31.405 -0.300 18801 9200 1 18 . 1 1 70 70 LYS H H 70 6.997 6.997 8.277 -1.280 18801 9201 1 18 . 1 1 71 71 LEU N N 71 118.952 118.952 118.834 0.118 18801 9202 1 18 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.494 -0.300 18801 9203 1 18 . 1 1 71 71 LEU C C 71 176.388 176.388 175.979 0.409 18801 9204 1 18 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.240 -1.270 18801 9205 1 18 . 1 1 71 71 LEU CB C 71 39.942 39.942 43.181 -3.239 18801 9206 1 18 . 1 1 71 71 LEU H H 71 6.933 6.933 7.205 -0.272 18801 9207 1 18 . 1 1 72 72 GLN N N 72 121.738 121.738 117.937 3.801 18801 9208 1 18 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.525 -0.205 18801 9209 1 18 . 1 1 72 72 GLN C C 72 177.973 177.973 175.280 2.693 18801 9210 1 18 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.600 -3.378 18801 9211 1 18 . 1 1 72 72 GLN CB C 72 26.606 26.606 31.849 -5.243 18801 9212 1 18 . 1 1 72 72 GLN H H 72 9.040 9.040 8.355 0.685 18801 9213 1 18 . 1 1 73 73 VAL N N 73 122.076 122.076 121.831 0.245 18801 9214 1 18 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.634 -0.803 18801 9215 1 18 . 1 1 73 73 VAL C C 73 177.702 177.702 176.828 0.874 18801 9216 1 18 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.848 -0.450 18801 9217 1 18 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.327 -2.869 18801 9218 1 18 . 1 1 73 73 VAL H H 73 8.759 8.759 8.546 0.213 18801 9219 1 18 . 1 1 74 74 GLY N N 74 117.298 117.298 115.163 2.135 18801 9220 1 18 . 1 1 74 74 GLY C C 74 181.597 181.597 173.547 8.050 18801 9221 1 18 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.547 -2.688 18801 9222 1 18 . 1 1 74 74 GLY H H 74 8.626 8.626 8.296 0.330 18801 9223 1 18 . 1 1 75 75 GLU N N 75 122.135 122.135 120.521 1.614 18801 9224 1 18 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.630 -0.494 18801 9225 1 18 . 1 1 75 75 GLU C C 75 180.891 180.891 175.622 5.269 18801 9226 1 18 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.338 -0.975 18801 9227 1 18 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.028 -2.619 18801 9228 1 18 . 1 1 75 75 GLU H H 75 7.877 7.877 8.151 -0.274 18801 9229 1 18 . 1 1 76 76 VAL N N 76 121.950 121.950 125.649 -3.699 18801 9230 1 18 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.362 0.578 18801 9231 1 18 . 1 1 76 76 VAL C C 76 177.920 177.920 175.967 1.953 18801 9232 1 18 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.081 -5.151 18801 9233 1 18 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.926 -1.885 18801 9234 1 18 . 1 1 76 76 VAL H H 76 7.877 7.877 8.430 -0.553 18801 9235 1 18 . 1 1 77 77 SER N N 77 125.434 125.434 121.907 3.527 18801 9236 1 18 . 1 1 77 77 SER HA H 77 4.275 4.275 4.544 -0.269 18801 9237 1 18 . 1 1 77 77 SER C C 77 181.544 181.544 173.799 7.745 18801 9238 1 18 . 1 1 77 77 SER CA C 77 56.028 56.028 57.727 -1.699 18801 9239 1 18 . 1 1 77 77 SER CB C 77 62.729 62.729 64.896 -2.167 18801 9240 1 18 . 1 1 77 77 SER H H 77 9.611 9.611 9.032 0.579 18801 9241 1 18 . 1 1 78 78 GLU N N 78 114.680 114.680 118.390 -3.710 18801 9242 1 18 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.680 -0.069 18801 9243 1 18 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.232 -0.486 18801 9244 1 18 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.442 -3.938 18801 9245 1 18 . 1 1 78 78 GLU H H 78 7.589 7.589 8.576 -0.987 18801 9246 1 18 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.508 0.222 18801 9247 1 18 . 1 1 79 79 PRO C C 79 177.642 177.642 175.712 1.930 18801 9248 1 18 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.783 -2.305 18801 9249 1 18 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.695 -2.395 18801 9250 1 18 . 1 1 80 80 ILE N N 80 127.418 127.418 125.084 2.334 18801 9251 1 18 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.108 0.392 18801 9252 1 18 . 1 1 80 80 ILE C C 80 179.315 179.315 175.887 3.428 18801 9253 1 18 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.409 -4.701 18801 9254 1 18 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.035 0.083 18801 9255 1 18 . 1 1 80 80 ILE H H 80 9.614 9.614 8.137 1.477 18801 9256 1 18 . 1 1 81 81 LYS N N 81 129.156 129.156 130.302 -1.146 18801 9257 1 18 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.237 0.039 18801 9258 1 18 . 1 1 81 81 LYS C C 81 179.186 179.186 175.652 3.534 18801 9259 1 18 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.895 -4.015 18801 9260 1 18 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.669 -1.864 18801 9261 1 18 . 1 1 81 81 LYS H H 81 8.637 8.637 8.796 -0.159 18801 9262 1 18 . 1 1 82 82 SER N N 82 125.346 125.346 122.955 2.391 18801 9263 1 18 . 1 1 82 82 SER HA H 82 4.836 4.836 4.768 0.068 18801 9264 1 18 . 1 1 82 82 SER C C 82 179.369 179.369 173.733 5.636 18801 9265 1 18 . 1 1 82 82 SER CA C 82 53.893 53.893 56.364 -2.471 18801 9266 1 18 . 1 1 82 82 SER CB C 82 64.579 64.579 65.485 -0.906 18801 9267 1 18 . 1 1 82 82 SER H H 82 9.532 9.532 8.196 1.336 18801 9268 1 18 . 1 1 83 83 GLU N N 83 118.760 118.760 120.457 -1.697 18801 9269 1 18 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.975 0.073 18801 9270 1 18 . 1 1 83 83 GLU C C 83 177.803 177.803 176.498 1.305 18801 9271 1 18 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.865 -3.507 18801 9272 1 18 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.050 -2.705 18801 9273 1 18 . 1 1 83 83 GLU H H 83 9.535 9.535 8.631 0.904 18801 9274 1 18 . 1 1 84 84 PHE N N 84 118.360 118.360 117.901 0.459 18801 9275 1 18 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.544 -0.016 18801 9276 1 18 . 1 1 84 84 PHE C C 84 179.367 179.367 175.819 3.548 18801 9277 1 18 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.713 -2.595 18801 9278 1 18 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.745 -2.709 18801 9279 1 18 . 1 1 84 84 PHE H H 84 8.803 8.803 7.997 0.806 18801 9280 1 18 . 1 1 85 85 GLY N N 85 107.365 107.365 105.540 1.825 18801 9281 1 18 . 1 1 85 85 GLY C C 85 184.805 184.805 173.122 11.683 18801 9282 1 18 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.297 -2.619 18801 9283 1 18 . 1 1 85 85 GLY H H 85 7.323 7.323 7.468 -0.145 18801 9284 1 18 . 1 1 86 86 TYR N N 86 119.303 119.303 122.939 -3.636 18801 9285 1 18 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.710 0.285 18801 9286 1 18 . 1 1 86 86 TYR C C 86 180.178 180.178 175.763 4.415 18801 9287 1 18 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.336 -3.960 18801 9288 1 18 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.327 0.116 18801 9289 1 18 . 1 1 86 86 TYR H H 86 8.990 8.990 7.990 1.000 18801 9290 1 18 . 1 1 87 87 HIS N N 87 120.588 120.588 123.984 -3.396 18801 9291 1 18 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.142 0.389 18801 9292 1 18 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.893 -4.420 18801 9293 1 18 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.401 -3.222 18801 9294 1 18 . 1 1 87 87 HIS H H 87 9.791 9.791 8.680 1.111 18801 9295 1 18 . 1 1 88 88 ILE N N 88 122.986 122.986 127.757 -4.771 18801 9296 1 18 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.453 -0.408 18801 9297 1 18 . 1 1 88 88 ILE C C 88 179.375 179.375 175.573 3.802 18801 9298 1 18 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.800 0.423 18801 9299 1 18 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.322 1.031 18801 9300 1 18 . 1 1 88 88 ILE H H 88 9.161 9.161 8.262 0.899 18801 9301 1 18 . 1 1 89 89 ILE N N 89 128.220 128.220 128.438 -0.218 18801 9302 1 18 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.464 0.317 18801 9303 1 18 . 1 1 89 89 ILE C C 89 181.174 181.174 175.152 6.022 18801 9304 1 18 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.236 -3.508 18801 9305 1 18 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.942 -0.346 18801 9306 1 18 . 1 1 89 89 ILE H H 89 8.568 8.568 7.920 0.648 18801 9307 1 18 . 1 1 90 90 LYS N N 90 125.284 125.284 126.715 -1.431 18801 9308 1 18 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.012 0.152 18801 9309 1 18 . 1 1 90 90 LYS C C 90 179.565 179.565 175.323 4.242 18801 9310 1 18 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.103 -2.732 18801 9311 1 18 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.718 -3.063 18801 9312 1 18 . 1 1 90 90 LYS H H 90 8.580 8.580 8.496 0.084 18801 9313 1 18 . 1 1 91 91 ARG N N 91 126.331 126.331 126.452 -0.121 18801 9314 1 18 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.489 0.528 18801 9315 1 18 . 1 1 91 91 ARG C C 91 179.376 179.376 175.185 4.191 18801 9316 1 18 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.195 -4.282 18801 9317 1 18 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.212 -3.650 18801 9318 1 18 . 1 1 91 91 ARG H H 91 7.641 7.641 8.027 -0.386 18801 9319 1 18 . 1 1 92 92 PHE N N 92 127.260 127.260 123.632 3.628 18801 9320 1 18 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.576 -0.070 18801 9321 1 18 . 1 1 92 92 PHE C C 92 179.492 179.492 175.994 3.498 18801 9322 1 18 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.463 -2.225 18801 9323 1 18 . 1 1 92 92 PHE CB C 92 39.606 39.606 41.306 -1.700 18801 9324 1 18 . 1 1 92 92 PHE H H 92 9.044 9.044 7.994 1.050 18801 9325 1 19 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.523 -0.054 18801 9326 1 19 . 1 1 2 2 PRO CA C 2 60.249 60.249 63.033 -2.784 18801 9327 1 19 . 1 1 2 2 PRO CB C 2 29.536 29.536 31.149 -1.613 18801 9328 1 19 . 1 1 3 3 SER N N 3 116.356 116.356 120.288 -3.932 18801 9329 1 19 . 1 1 3 3 SER HA H 3 4.457 4.457 4.575 -0.118 18801 9330 1 19 . 1 1 3 3 SER CA C 3 55.255 55.255 57.655 -2.400 18801 9331 1 19 . 1 1 3 3 SER CB C 3 61.066 61.066 64.742 -3.676 18801 9332 1 19 . 1 1 3 3 SER H H 3 8.502 8.502 8.242 0.260 18801 9333 1 19 . 1 1 4 4 ASN N N 4 120.863 120.863 122.011 -1.148 18801 9334 1 19 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.977 -0.281 18801 9335 1 19 . 1 1 4 4 ASN C C 4 180.499 180.499 173.376 7.123 18801 9336 1 19 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.158 -2.422 18801 9337 1 19 . 1 1 4 4 ASN CB C 4 35.801 35.801 41.382 -5.581 18801 9338 1 19 . 1 1 4 4 ASN H H 4 8.463 8.463 8.580 -0.117 18801 9339 1 19 . 1 1 5 5 LYS N N 5 119.444 119.444 117.924 1.520 18801 9340 1 19 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.175 -0.079 18801 9341 1 19 . 1 1 5 5 LYS C C 5 179.306 179.306 174.832 4.474 18801 9342 1 19 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.642 -2.693 18801 9343 1 19 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.527 -2.886 18801 9344 1 19 . 1 1 5 5 LYS H H 5 7.965 7.965 8.203 -0.238 18801 9345 1 19 . 1 1 6 6 ILE N N 6 115.941 115.941 114.006 1.935 18801 9346 1 19 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.794 0.767 18801 9347 1 19 . 1 1 6 6 ILE C C 6 183.130 183.130 174.443 8.687 18801 9348 1 19 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.624 -2.906 18801 9349 1 19 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.193 -2.489 18801 9350 1 19 . 1 1 6 6 ILE H H 6 8.133 8.133 7.992 0.141 18801 9351 1 19 . 1 1 7 7 LYS N N 7 122.265 122.265 123.234 -0.969 18801 9352 1 19 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.679 0.076 18801 9353 1 19 . 1 1 7 7 LYS C C 7 177.364 177.364 176.853 0.511 18801 9354 1 19 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.319 -6.091 18801 9355 1 19 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.280 -2.094 18801 9356 1 19 . 1 1 7 7 LYS H H 7 8.155 8.155 8.273 -0.118 18801 9357 1 19 . 1 1 8 8 CYS N N 8 118.452 118.452 119.603 -1.151 18801 9358 1 19 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.182 0.573 18801 9359 1 19 . 1 1 8 8 CYS C C 8 181.803 181.803 172.585 9.218 18801 9360 1 19 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.713 -4.113 18801 9361 1 19 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.551 0.034 18801 9362 1 19 . 1 1 8 8 CYS H H 8 7.243 7.243 8.486 -1.243 18801 9363 1 19 . 1 1 9 9 SER N N 9 115.559 115.559 115.161 0.398 18801 9364 1 19 . 1 1 9 9 SER HA H 9 5.777 5.777 5.312 0.465 18801 9365 1 19 . 1 1 9 9 SER C C 9 181.609 181.609 173.365 8.244 18801 9366 1 19 . 1 1 9 9 SER CA C 9 53.256 53.256 57.294 -4.038 18801 9367 1 19 . 1 1 9 9 SER CB C 9 64.431 64.431 65.683 -1.252 18801 9368 1 19 . 1 1 9 9 SER H H 9 9.148 9.148 8.379 0.769 18801 9369 1 19 . 1 1 10 10 HIS N N 10 119.227 119.227 113.504 5.723 18801 9370 1 19 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.380 1.111 18801 9371 1 19 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.984 -4.740 18801 9372 1 19 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.269 2.379 18801 9373 1 19 . 1 1 10 10 HIS H H 10 9.626 9.626 8.872 0.754 18801 9374 1 19 . 1 1 11 11 ILE N N 11 121.859 121.859 121.778 0.081 18801 9375 1 19 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.283 -0.875 18801 9376 1 19 . 1 1 11 11 ILE C C 11 182.235 182.235 174.147 8.088 18801 9377 1 19 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.238 -1.630 18801 9378 1 19 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.249 -2.692 18801 9379 1 19 . 1 1 11 11 ILE H H 11 8.978 8.978 8.916 0.062 18801 9380 1 19 . 1 1 12 12 LEU N N 12 128.789 128.789 128.443 0.346 18801 9381 1 19 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.386 -0.338 18801 9382 1 19 . 1 1 12 12 LEU C C 12 180.111 180.111 176.705 3.406 18801 9383 1 19 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.067 -3.538 18801 9384 1 19 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.227 -0.953 18801 9385 1 19 . 1 1 12 12 LEU H H 12 7.659 7.659 8.045 -0.386 18801 9386 1 19 . 1 1 13 13 VAL N N 13 117.652 117.652 118.007 -0.355 18801 9387 1 19 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.802 0.121 18801 9388 1 19 . 1 1 13 13 VAL C C 13 178.956 178.956 175.416 3.540 18801 9389 1 19 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.909 -3.553 18801 9390 1 19 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.520 -2.276 18801 9391 1 19 . 1 1 13 13 VAL H H 13 8.916 8.916 7.782 1.134 18801 9392 1 19 . 1 1 14 14 SER N N 14 115.236 115.236 113.843 1.393 18801 9393 1 19 . 1 1 14 14 SER HA H 14 4.591 4.591 4.640 -0.049 18801 9394 1 19 . 1 1 14 14 SER C C 14 179.440 179.440 173.753 5.687 18801 9395 1 19 . 1 1 14 14 SER CA C 14 58.302 58.302 58.584 -0.282 18801 9396 1 19 . 1 1 14 14 SER CB C 14 61.585 61.585 63.752 -2.167 18801 9397 1 19 . 1 1 14 14 SER H H 14 8.799 8.799 8.439 0.360 18801 9398 1 19 . 1 1 15 15 LYS N N 15 117.100 117.100 119.724 -2.624 18801 9399 1 19 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.771 0.042 18801 9400 1 19 . 1 1 15 15 LYS C C 15 178.183 178.183 176.299 1.884 18801 9401 1 19 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.370 -3.572 18801 9402 1 19 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.835 -1.879 18801 9403 1 19 . 1 1 15 15 LYS H H 15 7.749 7.749 7.678 0.071 18801 9404 1 19 . 1 1 16 16 GLN N N 16 126.339 126.339 121.602 4.737 18801 9405 1 19 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.546 -1.001 18801 9406 1 19 . 1 1 16 16 GLN C C 16 176.604 176.604 177.924 -1.320 18801 9407 1 19 . 1 1 16 16 GLN CA C 16 56.439 56.439 59.048 -2.610 18801 9408 1 19 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.397 -3.633 18801 9409 1 19 . 1 1 16 16 GLN H H 16 8.810 8.810 9.092 -0.282 18801 9410 1 19 . 1 1 17 17 SER N N 17 112.691 112.691 113.522 -0.831 18801 9411 1 19 . 1 1 17 17 SER HA H 17 3.841 3.841 4.227 -0.386 18801 9412 1 19 . 1 1 17 17 SER C C 17 176.880 176.880 174.897 1.983 18801 9413 1 19 . 1 1 17 17 SER CA C 17 58.169 58.169 60.681 -2.512 18801 9414 1 19 . 1 1 17 17 SER CB C 17 58.144 58.144 62.672 -4.529 18801 9415 1 19 . 1 1 17 17 SER H H 17 8.637 8.637 8.320 0.317 18801 9416 1 19 . 1 1 18 18 GLU N N 18 122.640 122.640 120.272 2.368 18801 9417 1 19 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.293 -0.249 18801 9418 1 19 . 1 1 18 18 GLU C C 18 176.035 176.035 177.870 -1.835 18801 9419 1 19 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.792 -2.741 18801 9420 1 19 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.275 -3.372 18801 9421 1 19 . 1 1 18 18 GLU H H 18 6.560 6.560 7.526 -0.966 18801 9422 1 19 . 1 1 19 19 ALA N N 19 122.963 122.963 122.543 0.420 18801 9423 1 19 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.151 -0.346 18801 9424 1 19 . 1 1 19 19 ALA C C 19 175.728 175.728 179.839 -4.111 18801 9425 1 19 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.972 -3.022 18801 9426 1 19 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.754 -4.264 18801 9427 1 19 . 1 1 19 19 ALA H H 19 7.435 7.435 7.643 -0.208 18801 9428 1 19 . 1 1 20 20 LEU N N 20 117.683 117.683 117.438 0.245 18801 9429 1 19 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.127 -0.226 18801 9430 1 19 . 1 1 20 20 LEU C C 20 174.983 174.983 177.328 -2.345 18801 9431 1 19 . 1 1 20 20 LEU CA C 20 55.009 55.009 55.359 -0.350 18801 9432 1 19 . 1 1 20 20 LEU CB C 20 38.841 38.841 42.200 -3.359 18801 9433 1 19 . 1 1 20 20 LEU H H 20 8.204 8.204 8.337 -0.133 18801 9434 1 19 . 1 1 21 21 ALA N N 21 122.191 122.191 120.852 1.339 18801 9435 1 19 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.172 -0.028 18801 9436 1 19 . 1 1 21 21 ALA C C 21 173.510 173.510 178.972 -5.462 18801 9437 1 19 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.407 -2.321 18801 9438 1 19 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.437 -3.575 18801 9439 1 19 . 1 1 21 21 ALA H H 21 7.432 7.432 7.190 0.242 18801 9440 1 19 . 1 1 22 22 ILE N N 22 120.079 120.079 118.707 1.372 18801 9441 1 19 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.732 -0.329 18801 9442 1 19 . 1 1 22 22 ILE C C 22 177.128 177.128 177.224 -0.096 18801 9443 1 19 . 1 1 22 22 ILE CA C 22 62.278 62.278 64.550 -2.272 18801 9444 1 19 . 1 1 22 22 ILE CB C 22 34.307 34.307 38.129 -3.822 18801 9445 1 19 . 1 1 22 22 ILE H H 22 7.649 7.649 7.362 0.287 18801 9446 1 19 . 1 1 23 23 MET N N 23 118.682 118.682 115.321 3.361 18801 9447 1 19 . 1 1 23 23 MET HA H 23 4.260 4.260 4.493 -0.233 18801 9448 1 19 . 1 1 23 23 MET C C 23 175.086 175.086 176.649 -1.563 18801 9449 1 19 . 1 1 23 23 MET CA C 23 54.737 54.737 57.727 -2.990 18801 9450 1 19 . 1 1 23 23 MET CB C 23 27.240 27.240 32.887 -5.647 18801 9451 1 19 . 1 1 23 23 MET H H 23 8.008 8.008 7.377 0.631 18801 9452 1 19 . 1 1 24 24 GLU N N 24 118.261 118.261 119.155 -0.894 18801 9453 1 19 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.305 -0.300 18801 9454 1 19 . 1 1 24 24 GLU C C 24 175.157 175.157 179.034 -3.877 18801 9455 1 19 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.691 -1.228 18801 9456 1 19 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.457 -3.206 18801 9457 1 19 . 1 1 24 24 GLU H H 24 7.527 7.527 7.733 -0.206 18801 9458 1 19 . 1 1 25 25 LYS N N 25 121.138 121.138 119.881 1.257 18801 9459 1 19 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.218 -0.209 18801 9460 1 19 . 1 1 25 25 LYS C C 25 174.603 174.603 178.152 -3.549 18801 9461 1 19 . 1 1 25 25 LYS CA C 25 56.861 56.861 57.943 -1.082 18801 9462 1 19 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.710 -2.901 18801 9463 1 19 . 1 1 25 25 LYS H H 25 7.645 7.645 8.398 -0.753 18801 9464 1 19 . 1 1 26 26 LEU N N 26 121.410 121.410 117.863 3.547 18801 9465 1 19 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.526 -0.345 18801 9466 1 19 . 1 1 26 26 LEU C C 26 172.921 172.921 177.169 -4.248 18801 9467 1 19 . 1 1 26 26 LEU CA C 26 54.907 54.907 53.816 1.091 18801 9468 1 19 . 1 1 26 26 LEU CB C 26 38.505 38.505 40.811 -2.306 18801 9469 1 19 . 1 1 26 26 LEU H H 26 8.617 8.617 7.578 1.039 18801 9470 1 19 . 1 1 27 27 LYS N N 27 121.975 121.975 120.631 1.344 18801 9471 1 19 . 1 1 27 27 LYS HA H 27 4.023 4.023 3.974 0.049 18801 9472 1 19 . 1 1 27 27 LYS C C 27 176.493 176.493 177.380 -0.887 18801 9473 1 19 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.889 -2.277 18801 9474 1 19 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.321 -3.063 18801 9475 1 19 . 1 1 27 27 LYS H H 27 8.239 8.239 7.476 0.763 18801 9476 1 19 . 1 1 28 28 SER N N 28 113.123 113.123 112.482 0.641 18801 9477 1 19 . 1 1 28 28 SER HA H 28 4.472 4.472 4.479 -0.007 18801 9478 1 19 . 1 1 28 28 SER C C 28 180.378 180.378 174.310 6.068 18801 9479 1 19 . 1 1 28 28 SER CA C 28 56.232 56.232 58.767 -2.534 18801 9480 1 19 . 1 1 28 28 SER CB C 28 60.798 60.798 64.416 -3.619 18801 9481 1 19 . 1 1 28 28 SER H H 28 7.620 7.620 8.105 -0.485 18801 9482 1 19 . 1 1 29 29 GLY N N 29 107.497 107.497 110.009 -2.512 18801 9483 1 19 . 1 1 29 29 GLY C C 29 179.552 179.552 175.040 4.512 18801 9484 1 19 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.776 -2.728 18801 9485 1 19 . 1 1 29 29 GLY H H 29 7.667 7.667 8.107 -0.440 18801 9486 1 19 . 1 1 30 30 GLU N N 30 121.320 121.320 119.307 2.013 18801 9487 1 19 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.172 0.051 18801 9488 1 19 . 1 1 30 30 GLU C C 30 178.900 178.900 177.008 1.892 18801 9489 1 19 . 1 1 30 30 GLU CA C 30 54.202 54.202 57.954 -3.752 18801 9490 1 19 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.178 -3.097 18801 9491 1 19 . 1 1 30 30 GLU H H 30 7.690 7.690 8.716 -1.026 18801 9492 1 19 . 1 1 31 31 LYS N N 31 122.239 122.239 116.966 5.273 18801 9493 1 19 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.437 -0.206 18801 9494 1 19 . 1 1 31 31 LYS C C 31 177.152 177.152 176.036 1.116 18801 9495 1 19 . 1 1 31 31 LYS CA C 31 53.334 53.334 55.877 -2.543 18801 9496 1 19 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.262 -3.126 18801 9497 1 19 . 1 1 31 31 LYS H H 31 8.793 8.793 7.658 1.135 18801 9498 1 19 . 1 1 32 32 PHE N N 32 126.167 126.167 124.130 2.037 18801 9499 1 19 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.242 -0.607 18801 9500 1 19 . 1 1 32 32 PHE C C 32 177.437 177.437 176.467 0.970 18801 9501 1 19 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.045 -0.963 18801 9502 1 19 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.672 -2.146 18801 9503 1 19 . 1 1 32 32 PHE H H 32 9.002 9.002 8.802 0.200 18801 9504 1 19 . 1 1 33 33 GLY N N 33 103.648 103.648 105.808 -2.160 18801 9505 1 19 . 1 1 33 33 GLY C C 33 179.280 179.280 175.835 3.445 18801 9506 1 19 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.784 -2.625 18801 9507 1 19 . 1 1 33 33 GLY H H 33 9.168 9.168 8.741 0.427 18801 9508 1 19 . 1 1 34 34 LYS N N 34 120.972 120.972 121.632 -0.660 18801 9509 1 19 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.129 -0.159 18801 9510 1 19 . 1 1 34 34 LYS C C 34 176.326 176.326 177.427 -1.101 18801 9511 1 19 . 1 1 34 34 LYS CA C 34 56.242 56.242 57.900 -1.658 18801 9512 1 19 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.179 -1.844 18801 9513 1 19 . 1 1 34 34 LYS H H 34 6.642 6.642 7.804 -1.162 18801 9514 1 19 . 1 1 35 35 LEU N N 35 118.154 118.154 116.188 1.966 18801 9515 1 19 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.479 -0.576 18801 9516 1 19 . 1 1 35 35 LEU C C 35 175.872 175.872 177.779 -1.907 18801 9517 1 19 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.505 -1.013 18801 9518 1 19 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.562 -3.792 18801 9519 1 19 . 1 1 35 35 LEU H H 35 7.425 7.425 7.410 0.015 18801 9520 1 19 . 1 1 36 36 ALA N N 36 120.438 120.438 122.904 -2.466 18801 9521 1 19 . 1 1 36 36 ALA HA H 36 3.690 3.690 4.016 -0.326 18801 9522 1 19 . 1 1 36 36 ALA C C 36 176.117 176.117 178.751 -2.634 18801 9523 1 19 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.914 -2.340 18801 9524 1 19 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.334 -3.603 18801 9525 1 19 . 1 1 36 36 ALA H H 36 8.229 8.229 7.868 0.361 18801 9526 1 19 . 1 1 37 37 LYS N N 37 116.463 116.463 115.400 1.063 18801 9527 1 19 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.468 -0.421 18801 9528 1 19 . 1 1 37 37 LYS C C 37 175.232 175.232 176.565 -1.333 18801 9529 1 19 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.524 -1.106 18801 9530 1 19 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.525 -2.568 18801 9531 1 19 . 1 1 37 37 LYS H H 37 7.568 7.568 7.862 -0.294 18801 9532 1 19 . 1 1 38 38 GLU N N 38 115.319 115.319 117.669 -2.350 18801 9533 1 19 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.397 -0.363 18801 9534 1 19 . 1 1 38 38 GLU C C 38 176.423 176.423 177.580 -1.157 18801 9535 1 19 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.709 -0.940 18801 9536 1 19 . 1 1 38 38 GLU CB C 38 28.289 28.289 30.960 -2.671 18801 9537 1 19 . 1 1 38 38 GLU H H 38 7.766 7.766 7.364 0.402 18801 9538 1 19 . 1 1 39 39 LEU N N 39 114.689 114.689 119.834 -5.145 18801 9539 1 19 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.073 0.422 18801 9540 1 19 . 1 1 39 39 LEU C C 39 177.452 177.452 177.765 -0.313 18801 9541 1 19 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.922 -4.877 18801 9542 1 19 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.337 -0.517 18801 9543 1 19 . 1 1 39 39 LEU H H 39 8.214 8.214 7.978 0.236 18801 9544 1 19 . 1 1 40 40 SER N N 40 110.112 110.112 113.187 -3.075 18801 9545 1 19 . 1 1 40 40 SER HA H 40 4.617 4.617 4.430 0.187 18801 9546 1 19 . 1 1 40 40 SER C C 40 177.179 177.179 175.686 1.493 18801 9547 1 19 . 1 1 40 40 SER CA C 40 54.102 54.102 59.447 -5.345 18801 9548 1 19 . 1 1 40 40 SER CB C 40 62.559 62.559 63.082 -0.523 18801 9549 1 19 . 1 1 40 40 SER H H 40 7.848 7.848 7.620 0.228 18801 9550 1 19 . 1 1 41 41 ILE N N 41 119.941 119.941 119.969 -0.028 18801 9551 1 19 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.184 0.185 18801 9552 1 19 . 1 1 41 41 ILE C C 41 178.010 178.010 175.942 2.068 18801 9553 1 19 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.721 -2.843 18801 9554 1 19 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.435 -4.090 18801 9555 1 19 . 1 1 41 41 ILE H H 41 9.126 9.126 8.107 1.019 18801 9556 1 19 . 1 1 42 42 ASP N N 42 120.547 120.547 121.754 -1.207 18801 9557 1 19 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.505 0.328 18801 9558 1 19 . 1 1 42 42 ASP C C 42 179.215 179.215 176.964 2.251 18801 9559 1 19 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.419 -5.101 18801 9560 1 19 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.248 -4.032 18801 9561 1 19 . 1 1 42 42 ASP H H 42 7.476 7.476 7.960 -0.484 18801 9562 1 19 . 1 1 43 43 SER N N 43 122.805 122.805 122.129 0.676 18801 9563 1 19 . 1 1 43 43 SER HA H 43 4.115 4.115 4.106 0.009 18801 9564 1 19 . 1 1 43 43 SER C C 43 178.349 178.349 175.689 2.660 18801 9565 1 19 . 1 1 43 43 SER CA C 43 58.425 58.425 60.221 -1.796 18801 9566 1 19 . 1 1 43 43 SER CB C 43 59.904 59.904 63.021 -3.117 18801 9567 1 19 . 1 1 43 43 SER H H 43 8.215 8.215 8.430 -0.215 18801 9568 1 19 . 1 1 44 44 GLY N N 44 107.974 107.974 106.640 1.334 18801 9569 1 19 . 1 1 44 44 GLY C C 44 179.677 179.677 173.441 6.236 18801 9570 1 19 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.588 -0.777 18801 9571 1 19 . 1 1 44 44 GLY H H 44 8.384 8.384 8.118 0.266 18801 9572 1 19 . 1 1 45 45 SER N N 45 110.539 110.539 116.833 -6.294 18801 9573 1 19 . 1 1 45 45 SER HA H 45 4.493 4.493 4.500 -0.007 18801 9574 1 19 . 1 1 45 45 SER C C 45 176.530 176.530 174.933 1.597 18801 9575 1 19 . 1 1 45 45 SER CA C 45 56.718 56.718 58.856 -2.138 18801 9576 1 19 . 1 1 45 45 SER CB C 45 62.291 62.291 64.113 -1.822 18801 9577 1 19 . 1 1 45 45 SER H H 45 7.177 7.177 7.678 -0.501 18801 9578 1 19 . 1 1 46 46 ALA N N 46 132.579 132.579 125.775 6.804 18801 9579 1 19 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.426 -0.688 18801 9580 1 19 . 1 1 46 46 ALA C C 46 175.404 175.404 178.612 -3.208 18801 9581 1 19 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.904 -0.717 18801 9582 1 19 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.602 -2.665 18801 9583 1 19 . 1 1 46 46 ALA H H 46 8.726 8.726 8.055 0.671 18801 9584 1 19 . 1 1 47 47 LYS N N 47 111.990 111.990 116.755 -4.765 18801 9585 1 19 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.216 -0.109 18801 9586 1 19 . 1 1 47 47 LYS C C 47 177.450 177.450 176.890 0.560 18801 9587 1 19 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.753 -2.644 18801 9588 1 19 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.758 -3.909 18801 9589 1 19 . 1 1 47 47 LYS H H 47 7.668 7.668 8.203 -0.535 18801 9590 1 19 . 1 1 48 48 LYS N N 48 118.900 118.900 116.463 2.437 18801 9591 1 19 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.561 0.042 18801 9592 1 19 . 1 1 48 48 LYS C C 48 177.786 177.786 175.607 2.179 18801 9593 1 19 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.856 -3.342 18801 9594 1 19 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.676 -3.218 18801 9595 1 19 . 1 1 48 48 LYS H H 48 7.382 7.382 7.668 -0.286 18801 9596 1 19 . 1 1 49 49 ASN N N 49 115.995 115.995 117.810 -1.815 18801 9597 1 19 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.301 -0.043 18801 9598 1 19 . 1 1 49 49 ASN C C 49 180.354 180.354 175.686 4.668 18801 9599 1 19 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.712 -2.298 18801 9600 1 19 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.383 -4.061 18801 9601 1 19 . 1 1 49 49 ASN H H 49 8.021 8.021 8.204 -0.183 18801 9602 1 19 . 1 1 50 50 GLY N N 50 104.621 104.621 102.127 2.494 18801 9603 1 19 . 1 1 50 50 GLY C C 50 180.665 180.665 173.328 7.337 18801 9604 1 19 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.866 -3.333 18801 9605 1 19 . 1 1 50 50 GLY H H 50 8.512 8.512 8.766 -0.254 18801 9606 1 19 . 1 1 51 51 ASN N N 51 118.054 118.054 118.508 -0.454 18801 9607 1 19 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.616 0.183 18801 9608 1 19 . 1 1 51 51 ASN C C 51 179.848 179.848 175.343 4.505 18801 9609 1 19 . 1 1 51 51 ASN CA C 51 52.093 52.093 52.026 0.067 18801 9610 1 19 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.514 -2.717 18801 9611 1 19 . 1 1 51 51 ASN H H 51 7.146 7.146 8.082 -0.936 18801 9612 1 19 . 1 1 52 52 LEU N N 52 126.673 126.673 119.459 7.214 18801 9613 1 19 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.278 0.042 18801 9614 1 19 . 1 1 52 52 LEU C C 52 176.682 176.682 177.698 -1.016 18801 9615 1 19 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.195 -3.754 18801 9616 1 19 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.550 -1.088 18801 9617 1 19 . 1 1 52 52 LEU H H 52 8.607 8.607 7.794 0.813 18801 9618 1 19 . 1 1 53 53 GLY N N 53 108.525 108.525 107.047 1.478 18801 9619 1 19 . 1 1 53 53 GLY C C 53 182.708 182.708 173.940 8.768 18801 9620 1 19 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.442 -3.840 18801 9621 1 19 . 1 1 53 53 GLY H H 53 8.121 8.121 7.440 0.681 18801 9622 1 19 . 1 1 54 54 TYR N N 54 114.992 114.992 122.742 -7.750 18801 9623 1 19 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.170 0.012 18801 9624 1 19 . 1 1 54 54 TYR C C 54 176.195 176.195 176.879 -0.684 18801 9625 1 19 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.324 -2.298 18801 9626 1 19 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.359 -1.964 18801 9627 1 19 . 1 1 54 54 TYR H H 54 8.187 8.187 8.316 -0.129 18801 9628 1 19 . 1 1 55 55 PHE N N 55 118.041 118.041 122.769 -4.728 18801 9629 1 19 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.065 0.038 18801 9630 1 19 . 1 1 55 55 PHE C C 55 181.875 181.875 173.339 8.536 18801 9631 1 19 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.050 -3.125 18801 9632 1 19 . 1 1 55 55 PHE CB C 55 38.167 38.167 42.041 -3.874 18801 9633 1 19 . 1 1 55 55 PHE H H 55 9.093 9.093 8.793 0.300 18801 9634 1 19 . 1 1 56 56 THR N N 56 109.577 109.577 109.610 -0.033 18801 9635 1 19 . 1 1 56 56 THR HA H 56 5.267 5.267 4.058 1.209 18801 9636 1 19 . 1 1 56 56 THR C C 56 178.403 178.403 173.679 4.724 18801 9637 1 19 . 1 1 56 56 THR CA C 56 56.522 56.522 60.081 -3.559 18801 9638 1 19 . 1 1 56 56 THR CB C 56 69.673 69.673 71.545 -1.872 18801 9639 1 19 . 1 1 56 56 THR H H 56 7.949 7.949 7.909 0.040 18801 9640 1 19 . 1 1 57 57 LYS N N 57 121.639 121.639 121.208 0.431 18801 9641 1 19 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.443 -0.448 18801 9642 1 19 . 1 1 57 57 LYS C C 57 176.706 176.706 176.852 -0.146 18801 9643 1 19 . 1 1 57 57 LYS CA C 57 55.695 55.695 56.766 -1.071 18801 9644 1 19 . 1 1 57 57 LYS CB C 57 29.384 29.384 32.039 -2.655 18801 9645 1 19 . 1 1 57 57 LYS H H 57 8.703 8.703 8.587 0.116 18801 9646 1 19 . 1 1 58 58 GLY N N 58 114.416 114.416 112.987 1.429 18801 9647 1 19 . 1 1 58 58 GLY C C 58 180.079 180.079 174.767 5.312 18801 9648 1 19 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.191 -2.832 18801 9649 1 19 . 1 1 58 58 GLY H H 58 10.495 10.495 8.993 1.502 18801 9650 1 19 . 1 1 59 59 MET N N 59 118.231 118.231 117.810 0.421 18801 9651 1 19 . 1 1 59 59 MET HA H 59 4.366 4.366 4.690 -0.324 18801 9652 1 19 . 1 1 59 59 MET C C 59 178.798 178.798 175.718 3.080 18801 9653 1 19 . 1 1 59 59 MET CA C 59 55.129 55.129 55.463 -0.334 18801 9654 1 19 . 1 1 59 59 MET CB C 59 32.196 32.196 33.409 -1.213 18801 9655 1 19 . 1 1 59 59 MET H H 59 7.681 7.681 8.222 -0.541 18801 9656 1 19 . 1 1 60 60 MET N N 60 118.667 118.667 118.175 0.492 18801 9657 1 19 . 1 1 60 60 MET HA H 60 4.629 4.629 4.792 -0.163 18801 9658 1 19 . 1 1 60 60 MET C C 60 178.834 178.834 175.053 3.781 18801 9659 1 19 . 1 1 60 60 MET CA C 60 49.108 49.108 53.893 -4.785 18801 9660 1 19 . 1 1 60 60 MET CB C 60 30.952 30.952 34.924 -3.972 18801 9661 1 19 . 1 1 60 60 MET H H 60 8.905 8.905 7.827 1.078 18801 9662 1 19 . 1 1 61 61 VAL N N 61 114.198 114.198 117.457 -3.259 18801 9663 1 19 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.531 -0.375 18801 9664 1 19 . 1 1 61 61 VAL C C 61 176.731 176.731 176.610 0.121 18801 9665 1 19 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.244 0.121 18801 9666 1 19 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.343 -3.662 18801 9667 1 19 . 1 1 61 61 VAL H H 61 8.062 8.062 8.104 -0.042 18801 9668 1 19 . 1 1 62 62 LYS N N 62 124.862 124.862 123.475 1.387 18801 9669 1 19 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.182 -0.033 18801 9670 1 19 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.174 -1.928 18801 9671 1 19 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.130 -3.980 18801 9672 1 19 . 1 1 62 62 LYS H H 62 8.736 8.736 8.905 -0.169 18801 9673 1 19 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.393 0.005 18801 9674 1 19 . 1 1 63 63 PRO C C 63 174.841 174.841 175.362 -0.521 18801 9675 1 19 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.322 -0.394 18801 9676 1 19 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.430 -1.203 18801 9677 1 19 . 1 1 64 64 PHE N N 64 115.340 115.340 118.581 -3.241 18801 9678 1 19 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.404 -0.770 18801 9679 1 19 . 1 1 64 64 PHE C C 64 178.782 178.782 174.406 4.376 18801 9680 1 19 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.384 -1.691 18801 9681 1 19 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.005 -2.731 18801 9682 1 19 . 1 1 64 64 PHE H H 64 6.870 6.870 8.001 -1.131 18801 9683 1 19 . 1 1 65 65 GLU N N 65 120.356 120.356 120.281 0.075 18801 9684 1 19 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.030 -0.078 18801 9685 1 19 . 1 1 65 65 GLU C C 65 177.209 177.209 178.125 -0.916 18801 9686 1 19 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.392 -1.608 18801 9687 1 19 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.185 -2.096 18801 9688 1 19 . 1 1 65 65 GLU H H 65 8.429 8.429 8.411 0.018 18801 9689 1 19 . 1 1 66 66 ASP N N 66 117.560 117.560 120.738 -3.178 18801 9690 1 19 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.276 0.027 18801 9691 1 19 . 1 1 66 66 ASP C C 66 176.337 176.337 176.870 -0.533 18801 9692 1 19 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.756 -2.729 18801 9693 1 19 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.691 -3.170 18801 9694 1 19 . 1 1 66 66 ASP H H 66 8.925 8.925 7.592 1.333 18801 9695 1 19 . 1 1 67 67 ALA N N 67 117.959 117.959 118.605 -0.646 18801 9696 1 19 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.341 -0.216 18801 9697 1 19 . 1 1 67 67 ALA C C 67 174.155 174.155 176.657 -2.502 18801 9698 1 19 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.364 -0.257 18801 9699 1 19 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.597 -0.375 18801 9700 1 19 . 1 1 67 67 ALA H H 67 6.805 6.805 7.989 -1.184 18801 9701 1 19 . 1 1 68 68 ALA N N 68 120.884 120.884 120.623 0.261 18801 9702 1 19 . 1 1 68 68 ALA HA H 68 3.673 3.673 3.928 -0.255 18801 9703 1 19 . 1 1 68 68 ALA C C 68 175.535 175.535 176.857 -1.322 18801 9704 1 19 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.740 -0.416 18801 9705 1 19 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.132 -4.177 18801 9706 1 19 . 1 1 68 68 ALA H H 68 8.836 8.836 6.767 2.069 18801 9707 1 19 . 1 1 69 69 PHE N N 69 110.173 110.173 110.791 -0.618 18801 9708 1 19 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.863 -0.861 18801 9709 1 19 . 1 1 69 69 PHE C C 69 178.751 178.751 176.057 2.694 18801 9710 1 19 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.806 2.674 18801 9711 1 19 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.550 -4.722 18801 9712 1 19 . 1 1 69 69 PHE H H 69 8.087 8.087 6.732 1.355 18801 9713 1 19 . 1 1 70 70 LYS N N 70 116.963 116.963 120.447 -3.484 18801 9714 1 19 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.397 -0.019 18801 9715 1 19 . 1 1 70 70 LYS C C 70 177.534 177.534 176.781 0.753 18801 9716 1 19 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.334 -3.732 18801 9717 1 19 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.332 -1.227 18801 9718 1 19 . 1 1 70 70 LYS H H 70 6.997 6.997 8.344 -1.347 18801 9719 1 19 . 1 1 71 71 LEU N N 71 118.952 118.952 118.531 0.421 18801 9720 1 19 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.292 -0.098 18801 9721 1 19 . 1 1 71 71 LEU C C 71 176.388 176.388 176.687 -0.299 18801 9722 1 19 . 1 1 71 71 LEU CA C 71 51.970 51.970 54.280 -2.310 18801 9723 1 19 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.618 -2.676 18801 9724 1 19 . 1 1 71 71 LEU H H 71 6.933 6.933 7.423 -0.490 18801 9725 1 19 . 1 1 72 72 GLN N N 72 121.738 121.738 117.694 4.044 18801 9726 1 19 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.481 -0.161 18801 9727 1 19 . 1 1 72 72 GLN C C 72 177.973 177.973 176.119 1.854 18801 9728 1 19 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.620 -3.398 18801 9729 1 19 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.587 -3.981 18801 9730 1 19 . 1 1 72 72 GLN H H 72 9.040 9.040 8.499 0.541 18801 9731 1 19 . 1 1 73 73 VAL N N 73 122.076 122.076 121.304 0.772 18801 9732 1 19 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.920 -1.089 18801 9733 1 19 . 1 1 73 73 VAL C C 73 177.702 177.702 175.920 1.782 18801 9734 1 19 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.330 1.068 18801 9735 1 19 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.716 -3.258 18801 9736 1 19 . 1 1 73 73 VAL H H 73 8.759 8.759 8.289 0.470 18801 9737 1 19 . 1 1 74 74 GLY N N 74 117.298 117.298 116.184 1.114 18801 9738 1 19 . 1 1 74 74 GLY C C 74 181.597 181.597 173.340 8.257 18801 9739 1 19 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.405 -2.546 18801 9740 1 19 . 1 1 74 74 GLY H H 74 8.626 8.626 8.178 0.448 18801 9741 1 19 . 1 1 75 75 GLU N N 75 122.135 122.135 120.580 1.555 18801 9742 1 19 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.551 -0.415 18801 9743 1 19 . 1 1 75 75 GLU C C 75 180.891 180.891 175.722 5.169 18801 9744 1 19 . 1 1 75 75 GLU CA C 75 53.363 53.363 55.243 -1.880 18801 9745 1 19 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.145 -2.736 18801 9746 1 19 . 1 1 75 75 GLU H H 75 7.877 7.877 7.878 -0.001 18801 9747 1 19 . 1 1 76 76 VAL N N 76 121.950 121.950 124.475 -2.525 18801 9748 1 19 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.295 0.645 18801 9749 1 19 . 1 1 76 76 VAL C C 76 177.920 177.920 176.069 1.851 18801 9750 1 19 . 1 1 76 76 VAL CA C 76 56.931 56.931 62.346 -5.415 18801 9751 1 19 . 1 1 76 76 VAL CB C 76 31.041 31.041 33.037 -1.996 18801 9752 1 19 . 1 1 76 76 VAL H H 76 7.877 7.877 8.448 -0.571 18801 9753 1 19 . 1 1 77 77 SER N N 77 125.434 125.434 121.687 3.747 18801 9754 1 19 . 1 1 77 77 SER HA H 77 4.275 4.275 4.544 -0.269 18801 9755 1 19 . 1 1 77 77 SER C C 77 181.544 181.544 174.880 6.664 18801 9756 1 19 . 1 1 77 77 SER CA C 77 56.028 56.028 57.451 -1.423 18801 9757 1 19 . 1 1 77 77 SER CB C 77 62.729 62.729 64.921 -2.192 18801 9758 1 19 . 1 1 77 77 SER H H 77 9.611 9.611 8.814 0.797 18801 9759 1 19 . 1 1 78 78 GLU N N 78 114.680 114.680 120.601 -5.921 18801 9760 1 19 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.435 0.176 18801 9761 1 19 . 1 1 78 78 GLU CA C 78 52.746 52.746 55.055 -2.309 18801 9762 1 19 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.705 -4.201 18801 9763 1 19 . 1 1 78 78 GLU H H 78 7.589 7.589 8.630 -1.041 18801 9764 1 19 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.502 0.228 18801 9765 1 19 . 1 1 79 79 PRO C C 79 177.642 177.642 175.770 1.872 18801 9766 1 19 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.867 -2.389 18801 9767 1 19 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.695 -2.394 18801 9768 1 19 . 1 1 80 80 ILE N N 80 127.418 127.418 125.016 2.402 18801 9769 1 19 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.079 0.421 18801 9770 1 19 . 1 1 80 80 ILE C C 80 179.315 179.315 176.034 3.281 18801 9771 1 19 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.872 -5.164 18801 9772 1 19 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.173 -0.055 18801 9773 1 19 . 1 1 80 80 ILE H H 80 9.614 9.614 8.077 1.537 18801 9774 1 19 . 1 1 81 81 LYS N N 81 129.156 129.156 130.947 -1.791 18801 9775 1 19 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.099 0.177 18801 9776 1 19 . 1 1 81 81 LYS C C 81 179.186 179.186 175.680 3.506 18801 9777 1 19 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.946 -4.066 18801 9778 1 19 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.040 -1.235 18801 9779 1 19 . 1 1 81 81 LYS H H 81 8.637 8.637 8.730 -0.093 18801 9780 1 19 . 1 1 82 82 SER N N 82 125.346 125.346 120.866 4.480 18801 9781 1 19 . 1 1 82 82 SER HA H 82 4.836 4.836 4.771 0.065 18801 9782 1 19 . 1 1 82 82 SER C C 82 179.369 179.369 174.298 5.071 18801 9783 1 19 . 1 1 82 82 SER CA C 82 53.893 53.893 56.304 -2.411 18801 9784 1 19 . 1 1 82 82 SER CB C 82 64.579 64.579 65.135 -0.556 18801 9785 1 19 . 1 1 82 82 SER H H 82 9.532 9.532 8.276 1.256 18801 9786 1 19 . 1 1 83 83 GLU N N 83 118.760 118.760 119.300 -0.540 18801 9787 1 19 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.005 0.043 18801 9788 1 19 . 1 1 83 83 GLU C C 83 177.803 177.803 176.818 0.985 18801 9789 1 19 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.650 -3.292 18801 9790 1 19 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.171 -2.826 18801 9791 1 19 . 1 1 83 83 GLU H H 83 9.535 9.535 8.620 0.915 18801 9792 1 19 . 1 1 84 84 PHE N N 84 118.360 118.360 118.017 0.343 18801 9793 1 19 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.516 0.012 18801 9794 1 19 . 1 1 84 84 PHE C C 84 179.367 179.367 175.802 3.565 18801 9795 1 19 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.714 -2.596 18801 9796 1 19 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.575 -2.539 18801 9797 1 19 . 1 1 84 84 PHE H H 84 8.803 8.803 7.991 0.812 18801 9798 1 19 . 1 1 85 85 GLY N N 85 107.365 107.365 105.488 1.877 18801 9799 1 19 . 1 1 85 85 GLY C C 85 184.805 184.805 173.072 11.733 18801 9800 1 19 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.268 -2.590 18801 9801 1 19 . 1 1 85 85 GLY H H 85 7.323 7.323 7.372 -0.049 18801 9802 1 19 . 1 1 86 86 TYR N N 86 119.303 119.303 122.751 -3.448 18801 9803 1 19 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.741 0.254 18801 9804 1 19 . 1 1 86 86 TYR C C 86 180.178 180.178 175.953 4.225 18801 9805 1 19 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.431 -4.055 18801 9806 1 19 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.272 0.171 18801 9807 1 19 . 1 1 86 86 TYR H H 86 8.990 8.990 7.904 1.086 18801 9808 1 19 . 1 1 87 87 HIS N N 87 120.588 120.588 124.153 -3.565 18801 9809 1 19 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.145 0.386 18801 9810 1 19 . 1 1 87 87 HIS CA C 87 51.473 51.473 56.060 -4.588 18801 9811 1 19 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.392 -3.213 18801 9812 1 19 . 1 1 87 87 HIS H H 87 9.791 9.791 8.683 1.108 18801 9813 1 19 . 1 1 88 88 ILE N N 88 122.986 122.986 127.336 -4.350 18801 9814 1 19 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.475 -0.430 18801 9815 1 19 . 1 1 88 88 ILE C C 88 179.375 179.375 175.750 3.625 18801 9816 1 19 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.015 0.208 18801 9817 1 19 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.432 0.921 18801 9818 1 19 . 1 1 88 88 ILE H H 88 9.161 9.161 8.236 0.925 18801 9819 1 19 . 1 1 89 89 ILE N N 89 128.220 128.220 128.413 -0.193 18801 9820 1 19 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.464 0.317 18801 9821 1 19 . 1 1 89 89 ILE C C 89 181.174 181.174 175.061 6.113 18801 9822 1 19 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.255 -3.527 18801 9823 1 19 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.423 0.173 18801 9824 1 19 . 1 1 89 89 ILE H H 89 8.568 8.568 8.002 0.566 18801 9825 1 19 . 1 1 90 90 LYS N N 90 125.284 125.284 127.270 -1.986 18801 9826 1 19 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.052 0.112 18801 9827 1 19 . 1 1 90 90 LYS C C 90 179.565 179.565 175.603 3.962 18801 9828 1 19 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.308 -2.937 18801 9829 1 19 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.730 -3.075 18801 9830 1 19 . 1 1 90 90 LYS H H 90 8.580 8.580 7.807 0.773 18801 9831 1 19 . 1 1 91 91 ARG N N 91 126.331 126.331 127.115 -0.784 18801 9832 1 19 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.447 0.570 18801 9833 1 19 . 1 1 91 91 ARG C C 91 179.376 179.376 175.436 3.940 18801 9834 1 19 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.611 -4.698 18801 9835 1 19 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.032 -3.470 18801 9836 1 19 . 1 1 91 91 ARG H H 91 7.641 7.641 8.169 -0.528 18801 9837 1 19 . 1 1 92 92 PHE N N 92 127.260 127.260 124.766 2.494 18801 9838 1 19 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.655 -0.149 18801 9839 1 19 . 1 1 92 92 PHE C C 92 179.492 179.492 176.416 3.076 18801 9840 1 19 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.222 -1.984 18801 9841 1 19 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.898 -1.292 18801 9842 1 19 . 1 1 92 92 PHE H H 92 9.044 9.044 8.072 0.972 18801 9843 1 20 . 1 1 2 2 PRO HA H 2 4.469 4.469 4.588 -0.119 18801 9844 1 20 . 1 1 2 2 PRO CA C 2 60.249 60.249 64.259 -4.010 18801 9845 1 20 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.445 -2.909 18801 9846 1 20 . 1 1 3 3 SER N N 3 116.356 116.356 113.294 3.062 18801 9847 1 20 . 1 1 3 3 SER HA H 3 4.457 4.457 4.627 -0.170 18801 9848 1 20 . 1 1 3 3 SER CA C 3 55.255 55.255 57.387 -2.132 18801 9849 1 20 . 1 1 3 3 SER CB C 3 61.066 61.066 65.434 -4.368 18801 9850 1 20 . 1 1 3 3 SER H H 3 8.502 8.502 7.679 0.823 18801 9851 1 20 . 1 1 4 4 ASN N N 4 120.863 120.863 119.624 1.239 18801 9852 1 20 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.933 -0.237 18801 9853 1 20 . 1 1 4 4 ASN C C 4 180.499 180.499 173.709 6.790 18801 9854 1 20 . 1 1 4 4 ASN CA C 4 50.736 50.736 52.918 -2.182 18801 9855 1 20 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.542 -3.741 18801 9856 1 20 . 1 1 4 4 ASN H H 4 8.463 8.463 8.455 0.008 18801 9857 1 20 . 1 1 5 5 LYS N N 5 119.444 119.444 119.603 -0.159 18801 9858 1 20 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.224 -0.128 18801 9859 1 20 . 1 1 5 5 LYS C C 5 179.306 179.306 174.849 4.457 18801 9860 1 20 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.584 -2.635 18801 9861 1 20 . 1 1 5 5 LYS CB C 5 32.641 32.641 36.058 -3.417 18801 9862 1 20 . 1 1 5 5 LYS H H 5 7.965 7.965 8.330 -0.365 18801 9863 1 20 . 1 1 6 6 ILE N N 6 115.941 115.941 113.297 2.644 18801 9864 1 20 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.745 0.816 18801 9865 1 20 . 1 1 6 6 ILE C C 6 183.130 183.130 174.239 8.891 18801 9866 1 20 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.074 -2.356 18801 9867 1 20 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.115 -2.411 18801 9868 1 20 . 1 1 6 6 ILE H H 6 8.133 8.133 8.200 -0.067 18801 9869 1 20 . 1 1 7 7 LYS N N 7 122.265 122.265 123.400 -1.135 18801 9870 1 20 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.472 0.283 18801 9871 1 20 . 1 1 7 7 LYS C C 7 177.364 177.364 176.671 0.693 18801 9872 1 20 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.587 -6.359 18801 9873 1 20 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.172 -1.986 18801 9874 1 20 . 1 1 7 7 LYS H H 7 8.155 8.155 8.215 -0.060 18801 9875 1 20 . 1 1 8 8 CYS N N 8 118.452 118.452 120.835 -2.383 18801 9876 1 20 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.194 0.561 18801 9877 1 20 . 1 1 8 8 CYS C C 8 181.803 181.803 172.703 9.100 18801 9878 1 20 . 1 1 8 8 CYS CA C 8 53.600 53.600 58.211 -4.611 18801 9879 1 20 . 1 1 8 8 CYS CB C 8 30.585 30.585 31.016 -0.431 18801 9880 1 20 . 1 1 8 8 CYS H H 8 7.243 7.243 8.448 -1.205 18801 9881 1 20 . 1 1 9 9 SER N N 9 115.559 115.559 114.693 0.866 18801 9882 1 20 . 1 1 9 9 SER HA H 9 5.777 5.777 5.436 0.341 18801 9883 1 20 . 1 1 9 9 SER C C 9 181.609 181.609 172.911 8.698 18801 9884 1 20 . 1 1 9 9 SER CA C 9 53.256 53.256 56.661 -3.405 18801 9885 1 20 . 1 1 9 9 SER CB C 9 64.431 64.431 65.665 -1.234 18801 9886 1 20 . 1 1 9 9 SER H H 9 9.148 9.148 8.675 0.473 18801 9887 1 20 . 1 1 10 10 HIS N N 10 119.227 119.227 112.637 6.590 18801 9888 1 20 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.354 1.137 18801 9889 1 20 . 1 1 10 10 HIS CA C 10 51.244 51.244 56.218 -4.974 18801 9890 1 20 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.341 2.307 18801 9891 1 20 . 1 1 10 10 HIS H H 10 9.626 9.626 8.790 0.836 18801 9892 1 20 . 1 1 11 11 ILE N N 11 121.859 121.859 121.849 0.010 18801 9893 1 20 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.272 -0.864 18801 9894 1 20 . 1 1 11 11 ILE C C 11 182.235 182.235 174.199 8.036 18801 9895 1 20 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.413 -1.805 18801 9896 1 20 . 1 1 11 11 ILE CB C 11 38.557 38.557 40.938 -2.381 18801 9897 1 20 . 1 1 11 11 ILE H H 11 8.978 8.978 8.954 0.024 18801 9898 1 20 . 1 1 12 12 LEU N N 12 128.789 128.789 129.185 -0.396 18801 9899 1 20 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.411 -0.363 18801 9900 1 20 . 1 1 12 12 LEU C C 12 180.111 180.111 176.722 3.389 18801 9901 1 20 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.183 -3.654 18801 9902 1 20 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.186 -0.912 18801 9903 1 20 . 1 1 12 12 LEU H H 12 7.659 7.659 8.057 -0.398 18801 9904 1 20 . 1 1 13 13 VAL N N 13 117.652 117.652 116.116 1.536 18801 9905 1 20 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.716 0.207 18801 9906 1 20 . 1 1 13 13 VAL C C 13 178.956 178.956 175.324 3.632 18801 9907 1 20 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.927 -3.571 18801 9908 1 20 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.954 -2.709 18801 9909 1 20 . 1 1 13 13 VAL H H 13 8.916 8.916 7.846 1.070 18801 9910 1 20 . 1 1 14 14 SER N N 14 115.236 115.236 115.089 0.147 18801 9911 1 20 . 1 1 14 14 SER HA H 14 4.591 4.591 4.626 -0.035 18801 9912 1 20 . 1 1 14 14 SER C C 14 179.440 179.440 174.956 4.484 18801 9913 1 20 . 1 1 14 14 SER CA C 14 58.302 58.302 59.003 -0.701 18801 9914 1 20 . 1 1 14 14 SER CB C 14 61.585 61.585 64.371 -2.787 18801 9915 1 20 . 1 1 14 14 SER H H 14 8.799 8.799 8.430 0.369 18801 9916 1 20 . 1 1 15 15 LYS N N 15 117.100 117.100 122.492 -5.392 18801 9917 1 20 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.895 -0.082 18801 9918 1 20 . 1 1 15 15 LYS C C 15 178.183 178.183 176.261 1.922 18801 9919 1 20 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.193 -3.395 18801 9920 1 20 . 1 1 15 15 LYS CB C 15 32.956 32.956 35.271 -2.315 18801 9921 1 20 . 1 1 15 15 LYS H H 15 7.749 7.749 7.549 0.200 18801 9922 1 20 . 1 1 16 16 GLN N N 16 126.339 126.339 123.249 3.090 18801 9923 1 20 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.399 -0.854 18801 9924 1 20 . 1 1 16 16 GLN C C 16 176.604 176.604 177.821 -1.217 18801 9925 1 20 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.631 -2.192 18801 9926 1 20 . 1 1 16 16 GLN CB C 16 24.764 24.764 27.857 -3.093 18801 9927 1 20 . 1 1 16 16 GLN H H 16 8.810 8.810 9.170 -0.360 18801 9928 1 20 . 1 1 17 17 SER N N 17 112.691 112.691 114.056 -1.365 18801 9929 1 20 . 1 1 17 17 SER HA H 17 3.841 3.841 4.170 -0.329 18801 9930 1 20 . 1 1 17 17 SER C C 17 176.880 176.880 175.224 1.656 18801 9931 1 20 . 1 1 17 17 SER CA C 17 58.169 58.169 60.548 -2.379 18801 9932 1 20 . 1 1 17 17 SER CB C 17 58.144 58.144 62.589 -4.445 18801 9933 1 20 . 1 1 17 17 SER H H 17 8.637 8.637 8.306 0.331 18801 9934 1 20 . 1 1 18 18 GLU N N 18 122.640 122.640 118.814 3.826 18801 9935 1 20 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.263 -0.219 18801 9936 1 20 . 1 1 18 18 GLU C C 18 176.035 176.035 177.353 -1.318 18801 9937 1 20 . 1 1 18 18 GLU CA C 18 55.051 55.051 58.064 -3.013 18801 9938 1 20 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.290 -3.386 18801 9939 1 20 . 1 1 18 18 GLU H H 18 6.560 6.560 7.588 -1.028 18801 9940 1 20 . 1 1 19 19 ALA N N 19 122.963 122.963 121.660 1.303 18801 9941 1 20 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.115 -0.310 18801 9942 1 20 . 1 1 19 19 ALA C C 19 175.728 175.728 179.711 -3.983 18801 9943 1 20 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.957 -3.007 18801 9944 1 20 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.973 -4.483 18801 9945 1 20 . 1 1 19 19 ALA H H 19 7.435 7.435 7.572 -0.137 18801 9946 1 20 . 1 1 20 20 LEU N N 20 117.683 117.683 119.486 -1.803 18801 9947 1 20 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.012 -0.111 18801 9948 1 20 . 1 1 20 20 LEU C C 20 174.983 174.983 178.463 -3.480 18801 9949 1 20 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.912 -1.903 18801 9950 1 20 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.980 -3.139 18801 9951 1 20 . 1 1 20 20 LEU H H 20 8.204 8.204 8.348 -0.144 18801 9952 1 20 . 1 1 21 21 ALA N N 21 122.191 122.191 121.903 0.288 18801 9953 1 20 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.088 0.056 18801 9954 1 20 . 1 1 21 21 ALA C C 21 173.510 173.510 179.069 -5.559 18801 9955 1 20 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.557 -2.471 18801 9956 1 20 . 1 1 21 21 ALA CB C 21 14.862 14.862 17.733 -2.871 18801 9957 1 20 . 1 1 21 21 ALA H H 21 7.432 7.432 8.163 -0.731 18801 9958 1 20 . 1 1 22 22 ILE N N 22 120.079 120.079 118.989 1.090 18801 9959 1 20 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.766 -0.363 18801 9960 1 20 . 1 1 22 22 ILE C C 22 177.128 177.128 177.815 -0.687 18801 9961 1 20 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.738 -1.460 18801 9962 1 20 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.181 -2.874 18801 9963 1 20 . 1 1 22 22 ILE H H 22 7.649 7.649 7.701 -0.052 18801 9964 1 20 . 1 1 23 23 MET N N 23 118.682 118.682 115.560 3.122 18801 9965 1 20 . 1 1 23 23 MET HA H 23 4.260 4.260 4.327 -0.067 18801 9966 1 20 . 1 1 23 23 MET C C 23 175.086 175.086 177.370 -2.284 18801 9967 1 20 . 1 1 23 23 MET CA C 23 54.737 54.737 58.633 -3.896 18801 9968 1 20 . 1 1 23 23 MET CB C 23 27.240 27.240 32.420 -5.181 18801 9969 1 20 . 1 1 23 23 MET H H 23 8.008 8.008 7.472 0.536 18801 9970 1 20 . 1 1 24 24 GLU N N 24 118.261 118.261 119.622 -1.361 18801 9971 1 20 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.143 -0.138 18801 9972 1 20 . 1 1 24 24 GLU C C 24 175.157 175.157 179.345 -4.188 18801 9973 1 20 . 1 1 24 24 GLU CA C 24 56.463 56.463 58.312 -1.849 18801 9974 1 20 . 1 1 24 24 GLU CB C 24 26.251 26.251 29.514 -3.263 18801 9975 1 20 . 1 1 24 24 GLU H H 24 7.527 7.527 7.646 -0.119 18801 9976 1 20 . 1 1 25 25 LYS N N 25 121.138 121.138 120.975 0.163 18801 9977 1 20 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.113 -0.104 18801 9978 1 20 . 1 1 25 25 LYS C C 25 174.603 174.603 178.501 -3.898 18801 9979 1 20 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.444 -1.583 18801 9980 1 20 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.586 -2.777 18801 9981 1 20 . 1 1 25 25 LYS H H 25 7.645 7.645 8.301 -0.656 18801 9982 1 20 . 1 1 26 26 LEU N N 26 121.410 121.410 117.636 3.774 18801 9983 1 20 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.481 -0.300 18801 9984 1 20 . 1 1 26 26 LEU C C 26 172.921 172.921 176.795 -3.874 18801 9985 1 20 . 1 1 26 26 LEU CA C 26 54.907 54.907 54.007 0.900 18801 9986 1 20 . 1 1 26 26 LEU CB C 26 38.505 38.505 40.836 -2.331 18801 9987 1 20 . 1 1 26 26 LEU H H 26 8.617 8.617 7.468 1.149 18801 9988 1 20 . 1 1 27 27 LYS N N 27 121.975 121.975 119.062 2.913 18801 9989 1 20 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.131 -0.108 18801 9990 1 20 . 1 1 27 27 LYS C C 27 176.493 176.493 177.456 -0.963 18801 9991 1 20 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.586 -1.974 18801 9992 1 20 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.175 -2.917 18801 9993 1 20 . 1 1 27 27 LYS H H 27 8.239 8.239 7.651 0.588 18801 9994 1 20 . 1 1 28 28 SER N N 28 113.123 113.123 114.685 -1.562 18801 9995 1 20 . 1 1 28 28 SER HA H 28 4.472 4.472 4.410 0.062 18801 9996 1 20 . 1 1 28 28 SER C C 28 180.378 180.378 174.692 5.686 18801 9997 1 20 . 1 1 28 28 SER CA C 28 56.232 56.232 58.998 -2.766 18801 9998 1 20 . 1 1 28 28 SER CB C 28 60.798 60.798 64.200 -3.402 18801 9999 1 20 . 1 1 28 28 SER H H 28 7.620 7.620 8.225 -0.605 18801 10000 1 20 . 1 1 29 29 GLY N N 29 107.497 107.497 108.441 -0.944 18801 10001 1 20 . 1 1 29 29 GLY C C 29 179.552 179.552 174.410 5.142 18801 10002 1 20 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.653 -2.605 18801 10003 1 20 . 1 1 29 29 GLY H H 29 7.667 7.667 8.324 -0.657 18801 10004 1 20 . 1 1 30 30 GLU N N 30 121.320 121.320 119.235 2.085 18801 10005 1 20 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.348 -0.125 18801 10006 1 20 . 1 1 30 30 GLU C C 30 178.900 178.900 176.375 2.525 18801 10007 1 20 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.641 -1.439 18801 10008 1 20 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.349 -3.268 18801 10009 1 20 . 1 1 30 30 GLU H H 30 7.690 7.690 8.231 -0.541 18801 10010 1 20 . 1 1 31 31 LYS N N 31 122.239 122.239 120.871 1.368 18801 10011 1 20 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.538 -0.307 18801 10012 1 20 . 1 1 31 31 LYS C C 31 177.152 177.152 176.694 0.458 18801 10013 1 20 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.553 -1.219 18801 10014 1 20 . 1 1 31 31 LYS CB C 31 30.136 30.136 32.088 -1.952 18801 10015 1 20 . 1 1 31 31 LYS H H 31 8.793 8.793 8.260 0.533 18801 10016 1 20 . 1 1 32 32 PHE N N 32 126.167 126.167 126.992 -0.825 18801 10017 1 20 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.233 -0.598 18801 10018 1 20 . 1 1 32 32 PHE C C 32 177.437 177.437 176.975 0.462 18801 10019 1 20 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.646 -1.564 18801 10020 1 20 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.484 -1.958 18801 10021 1 20 . 1 1 32 32 PHE H H 32 9.002 9.002 9.038 -0.036 18801 10022 1 20 . 1 1 33 33 GLY N N 33 103.648 103.648 107.172 -3.524 18801 10023 1 20 . 1 1 33 33 GLY C C 33 179.280 179.280 175.772 3.508 18801 10024 1 20 . 1 1 33 33 GLY CA C 33 44.159 44.159 47.039 -2.880 18801 10025 1 20 . 1 1 33 33 GLY H H 33 9.168 9.168 8.954 0.214 18801 10026 1 20 . 1 1 34 34 LYS N N 34 120.972 120.972 120.792 0.180 18801 10027 1 20 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.063 -0.093 18801 10028 1 20 . 1 1 34 34 LYS C C 34 176.326 176.326 177.517 -1.191 18801 10029 1 20 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.839 -2.597 18801 10030 1 20 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.188 -1.853 18801 10031 1 20 . 1 1 34 34 LYS H H 34 6.642 6.642 8.519 -1.877 18801 10032 1 20 . 1 1 35 35 LEU N N 35 118.154 118.154 116.553 1.601 18801 10033 1 20 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.384 -0.481 18801 10034 1 20 . 1 1 35 35 LEU C C 35 175.872 175.872 177.745 -1.873 18801 10035 1 20 . 1 1 35 35 LEU CA C 35 54.492 54.492 56.041 -1.549 18801 10036 1 20 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.222 -3.452 18801 10037 1 20 . 1 1 35 35 LEU H H 35 7.425 7.425 7.464 -0.039 18801 10038 1 20 . 1 1 36 36 ALA N N 36 120.438 120.438 122.590 -2.152 18801 10039 1 20 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.963 -0.273 18801 10040 1 20 . 1 1 36 36 ALA C C 36 176.117 176.117 178.622 -2.505 18801 10041 1 20 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.619 -2.045 18801 10042 1 20 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.182 -3.451 18801 10043 1 20 . 1 1 36 36 ALA H H 36 8.229 8.229 7.789 0.440 18801 10044 1 20 . 1 1 37 37 LYS N N 37 116.463 116.463 115.246 1.217 18801 10045 1 20 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.463 -0.416 18801 10046 1 20 . 1 1 37 37 LYS C C 37 175.232 175.232 176.741 -1.509 18801 10047 1 20 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.734 -1.316 18801 10048 1 20 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.701 -2.744 18801 10049 1 20 . 1 1 37 37 LYS H H 37 7.568 7.568 8.002 -0.434 18801 10050 1 20 . 1 1 38 38 GLU N N 38 115.319 115.319 117.388 -2.069 18801 10051 1 20 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.398 -0.364 18801 10052 1 20 . 1 1 38 38 GLU C C 38 176.423 176.423 177.543 -1.120 18801 10053 1 20 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.819 -1.050 18801 10054 1 20 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.178 -2.889 18801 10055 1 20 . 1 1 38 38 GLU H H 38 7.766 7.766 7.435 0.331 18801 10056 1 20 . 1 1 39 39 LEU N N 39 114.689 114.689 120.101 -5.412 18801 10057 1 20 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.092 0.403 18801 10058 1 20 . 1 1 39 39 LEU C C 39 177.452 177.452 177.704 -0.252 18801 10059 1 20 . 1 1 39 39 LEU CA C 39 52.045 52.045 57.009 -4.964 18801 10060 1 20 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.470 -0.650 18801 10061 1 20 . 1 1 39 39 LEU H H 39 8.214 8.214 8.139 0.075 18801 10062 1 20 . 1 1 40 40 SER N N 40 110.112 110.112 112.895 -2.783 18801 10063 1 20 . 1 1 40 40 SER HA H 40 4.617 4.617 4.406 0.211 18801 10064 1 20 . 1 1 40 40 SER C C 40 177.179 177.179 175.644 1.535 18801 10065 1 20 . 1 1 40 40 SER CA C 40 54.102 54.102 59.066 -4.964 18801 10066 1 20 . 1 1 40 40 SER CB C 40 62.559 62.559 63.210 -0.651 18801 10067 1 20 . 1 1 40 40 SER H H 40 7.848 7.848 7.752 0.096 18801 10068 1 20 . 1 1 41 41 ILE N N 41 119.941 119.941 120.703 -0.762 18801 10069 1 20 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.107 0.263 18801 10070 1 20 . 1 1 41 41 ILE C C 41 178.010 178.010 175.949 2.061 18801 10071 1 20 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.520 -2.642 18801 10072 1 20 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.372 -4.027 18801 10073 1 20 . 1 1 41 41 ILE H H 41 9.126 9.126 7.581 1.545 18801 10074 1 20 . 1 1 42 42 ASP N N 42 120.547 120.547 121.523 -0.976 18801 10075 1 20 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.487 0.346 18801 10076 1 20 . 1 1 42 42 ASP C C 42 179.215 179.215 177.162 2.053 18801 10077 1 20 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.297 -4.979 18801 10078 1 20 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.035 -3.820 18801 10079 1 20 . 1 1 42 42 ASP H H 42 7.476 7.476 7.857 -0.381 18801 10080 1 20 . 1 1 43 43 SER N N 43 122.805 122.805 122.374 0.431 18801 10081 1 20 . 1 1 43 43 SER HA H 43 4.115 4.115 4.149 -0.034 18801 10082 1 20 . 1 1 43 43 SER C C 43 178.349 178.349 175.550 2.799 18801 10083 1 20 . 1 1 43 43 SER CA C 43 58.425 58.425 60.819 -2.394 18801 10084 1 20 . 1 1 43 43 SER CB C 43 59.904 59.904 63.319 -3.415 18801 10085 1 20 . 1 1 43 43 SER H H 43 8.215 8.215 8.614 -0.399 18801 10086 1 20 . 1 1 44 44 GLY N N 44 107.974 107.974 105.372 2.602 18801 10087 1 20 . 1 1 44 44 GLY C C 44 179.677 179.677 173.776 5.901 18801 10088 1 20 . 1 1 44 44 GLY CA C 44 43.811 43.811 45.104 -1.293 18801 10089 1 20 . 1 1 44 44 GLY H H 44 8.384 8.384 8.104 0.280 18801 10090 1 20 . 1 1 45 45 SER N N 45 110.539 110.539 116.331 -5.792 18801 10091 1 20 . 1 1 45 45 SER HA H 45 4.493 4.493 4.525 -0.032 18801 10092 1 20 . 1 1 45 45 SER C C 45 176.530 176.530 174.873 1.657 18801 10093 1 20 . 1 1 45 45 SER CA C 45 56.718 56.718 58.854 -2.136 18801 10094 1 20 . 1 1 45 45 SER CB C 45 62.291 62.291 64.125 -1.834 18801 10095 1 20 . 1 1 45 45 SER H H 45 7.177 7.177 7.907 -0.730 18801 10096 1 20 . 1 1 46 46 ALA N N 46 132.579 132.579 125.273 7.306 18801 10097 1 20 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.553 -0.815 18801 10098 1 20 . 1 1 46 46 ALA C C 46 175.404 175.404 178.616 -3.212 18801 10099 1 20 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.546 -0.359 18801 10100 1 20 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.766 -2.829 18801 10101 1 20 . 1 1 46 46 ALA H H 46 8.726 8.726 8.304 0.422 18801 10102 1 20 . 1 1 47 47 LYS N N 47 111.990 111.990 115.741 -3.751 18801 10103 1 20 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.247 -0.140 18801 10104 1 20 . 1 1 47 47 LYS C C 47 177.450 177.450 176.891 0.559 18801 10105 1 20 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.384 -2.275 18801 10106 1 20 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.825 -3.976 18801 10107 1 20 . 1 1 47 47 LYS H H 47 7.668 7.668 8.332 -0.664 18801 10108 1 20 . 1 1 48 48 LYS N N 48 118.900 118.900 116.647 2.253 18801 10109 1 20 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.564 0.039 18801 10110 1 20 . 1 1 48 48 LYS C C 48 177.786 177.786 175.713 2.073 18801 10111 1 20 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.777 -3.263 18801 10112 1 20 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.713 -3.255 18801 10113 1 20 . 1 1 48 48 LYS H H 48 7.382 7.382 7.636 -0.254 18801 10114 1 20 . 1 1 49 49 ASN N N 49 115.995 115.995 117.754 -1.759 18801 10115 1 20 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.305 -0.047 18801 10116 1 20 . 1 1 49 49 ASN C C 49 180.354 180.354 175.823 4.531 18801 10117 1 20 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.505 -2.091 18801 10118 1 20 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.467 -4.145 18801 10119 1 20 . 1 1 49 49 ASN H H 49 8.021 8.021 8.304 -0.283 18801 10120 1 20 . 1 1 50 50 GLY N N 50 104.621 104.621 102.285 2.336 18801 10121 1 20 . 1 1 50 50 GLY C C 50 180.665 180.665 173.208 7.457 18801 10122 1 20 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.912 -3.379 18801 10123 1 20 . 1 1 50 50 GLY H H 50 8.512 8.512 8.766 -0.254 18801 10124 1 20 . 1 1 51 51 ASN N N 51 118.054 118.054 118.683 -0.629 18801 10125 1 20 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.787 0.012 18801 10126 1 20 . 1 1 51 51 ASN C C 51 179.848 179.848 175.553 4.295 18801 10127 1 20 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.461 0.632 18801 10128 1 20 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.786 -2.989 18801 10129 1 20 . 1 1 51 51 ASN H H 51 7.146 7.146 8.034 -0.888 18801 10130 1 20 . 1 1 52 52 LEU N N 52 126.673 126.673 119.491 7.182 18801 10131 1 20 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.294 0.026 18801 10132 1 20 . 1 1 52 52 LEU C C 52 176.682 176.682 177.723 -1.041 18801 10133 1 20 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.194 -3.753 18801 10134 1 20 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.556 -1.095 18801 10135 1 20 . 1 1 52 52 LEU H H 52 8.607 8.607 7.881 0.726 18801 10136 1 20 . 1 1 53 53 GLY N N 53 108.525 108.525 107.152 1.373 18801 10137 1 20 . 1 1 53 53 GLY C C 53 182.708 182.708 173.994 8.714 18801 10138 1 20 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.458 -3.856 18801 10139 1 20 . 1 1 53 53 GLY H H 53 8.121 8.121 7.506 0.615 18801 10140 1 20 . 1 1 54 54 TYR N N 54 114.992 114.992 123.118 -8.126 18801 10141 1 20 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.058 0.124 18801 10142 1 20 . 1 1 54 54 TYR C C 54 176.195 176.195 176.347 -0.152 18801 10143 1 20 . 1 1 54 54 TYR CA C 54 55.026 55.026 58.095 -3.069 18801 10144 1 20 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.437 -2.042 18801 10145 1 20 . 1 1 54 54 TYR H H 54 8.187 8.187 8.440 -0.253 18801 10146 1 20 . 1 1 55 55 PHE N N 55 118.041 118.041 121.803 -3.762 18801 10147 1 20 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.064 0.039 18801 10148 1 20 . 1 1 55 55 PHE C C 55 181.875 181.875 173.527 8.348 18801 10149 1 20 . 1 1 55 55 PHE CA C 55 52.925 52.925 55.786 -2.861 18801 10150 1 20 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.450 -3.283 18801 10151 1 20 . 1 1 55 55 PHE H H 55 9.093 9.093 8.562 0.531 18801 10152 1 20 . 1 1 56 56 THR N N 56 109.577 109.577 107.841 1.736 18801 10153 1 20 . 1 1 56 56 THR HA H 56 5.267 5.267 4.049 1.218 18801 10154 1 20 . 1 1 56 56 THR C C 56 178.403 178.403 173.364 5.039 18801 10155 1 20 . 1 1 56 56 THR CA C 56 56.522 56.522 59.659 -3.137 18801 10156 1 20 . 1 1 56 56 THR CB C 56 69.673 69.673 71.346 -1.673 18801 10157 1 20 . 1 1 56 56 THR H H 56 7.949 7.949 7.867 0.082 18801 10158 1 20 . 1 1 57 57 LYS N N 57 121.639 121.639 121.439 0.200 18801 10159 1 20 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.226 -0.231 18801 10160 1 20 . 1 1 57 57 LYS C C 57 176.706 176.706 176.820 -0.114 18801 10161 1 20 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.419 -1.724 18801 10162 1 20 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.808 -2.424 18801 10163 1 20 . 1 1 57 57 LYS H H 57 8.703 8.703 8.680 0.023 18801 10164 1 20 . 1 1 58 58 GLY N N 58 114.416 114.416 112.292 2.124 18801 10165 1 20 . 1 1 58 58 GLY C C 58 180.079 180.079 174.824 5.255 18801 10166 1 20 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.146 -2.787 18801 10167 1 20 . 1 1 58 58 GLY H H 58 10.495 10.495 8.870 1.625 18801 10168 1 20 . 1 1 59 59 MET N N 59 118.231 118.231 118.034 0.197 18801 10169 1 20 . 1 1 59 59 MET HA H 59 4.366 4.366 4.657 -0.291 18801 10170 1 20 . 1 1 59 59 MET C C 59 178.798 178.798 175.772 3.026 18801 10171 1 20 . 1 1 59 59 MET CA C 59 55.129 55.129 55.868 -0.739 18801 10172 1 20 . 1 1 59 59 MET CB C 59 32.196 32.196 33.671 -1.475 18801 10173 1 20 . 1 1 59 59 MET H H 59 7.681 7.681 8.049 -0.368 18801 10174 1 20 . 1 1 60 60 MET N N 60 118.667 118.667 117.993 0.674 18801 10175 1 20 . 1 1 60 60 MET HA H 60 4.629 4.629 4.770 -0.141 18801 10176 1 20 . 1 1 60 60 MET C C 60 178.834 178.834 174.837 3.997 18801 10177 1 20 . 1 1 60 60 MET CA C 60 49.108 49.108 53.908 -4.800 18801 10178 1 20 . 1 1 60 60 MET CB C 60 30.952 30.952 35.136 -4.184 18801 10179 1 20 . 1 1 60 60 MET H H 60 8.905 8.905 7.835 1.070 18801 10180 1 20 . 1 1 61 61 VAL N N 61 114.198 114.198 117.509 -3.311 18801 10181 1 20 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.523 -0.367 18801 10182 1 20 . 1 1 61 61 VAL C C 61 176.731 176.731 176.527 0.204 18801 10183 1 20 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.529 -0.164 18801 10184 1 20 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.279 -3.599 18801 10185 1 20 . 1 1 61 61 VAL H H 61 8.062 8.062 8.090 -0.028 18801 10186 1 20 . 1 1 62 62 LYS N N 62 124.862 124.862 122.465 2.397 18801 10187 1 20 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.215 -0.066 18801 10188 1 20 . 1 1 62 62 LYS CA C 62 58.246 58.246 60.164 -1.918 18801 10189 1 20 . 1 1 62 62 LYS CB C 62 27.150 27.150 31.070 -3.920 18801 10190 1 20 . 1 1 62 62 LYS H H 62 8.736 8.736 8.941 -0.205 18801 10191 1 20 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.353 0.045 18801 10192 1 20 . 1 1 63 63 PRO C C 63 174.841 174.841 175.465 -0.624 18801 10193 1 20 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.520 -0.592 18801 10194 1 20 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.805 -1.578 18801 10195 1 20 . 1 1 64 64 PHE N N 64 115.340 115.340 118.497 -3.157 18801 10196 1 20 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.402 -0.768 18801 10197 1 20 . 1 1 64 64 PHE C C 64 178.782 178.782 174.410 4.372 18801 10198 1 20 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.370 -1.677 18801 10199 1 20 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.037 -2.763 18801 10200 1 20 . 1 1 64 64 PHE H H 64 6.870 6.870 8.000 -1.130 18801 10201 1 20 . 1 1 65 65 GLU N N 65 120.356 120.356 120.536 -0.180 18801 10202 1 20 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.036 -0.084 18801 10203 1 20 . 1 1 65 65 GLU C C 65 177.209 177.209 178.020 -0.811 18801 10204 1 20 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.546 -1.762 18801 10205 1 20 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.187 -2.098 18801 10206 1 20 . 1 1 65 65 GLU H H 65 8.429 8.429 8.387 0.042 18801 10207 1 20 . 1 1 66 66 ASP N N 66 117.560 117.560 120.119 -2.559 18801 10208 1 20 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.265 0.038 18801 10209 1 20 . 1 1 66 66 ASP C C 66 176.337 176.337 176.336 0.001 18801 10210 1 20 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.507 -2.480 18801 10211 1 20 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.721 -3.199 18801 10212 1 20 . 1 1 66 66 ASP H H 66 8.925 8.925 7.729 1.196 18801 10213 1 20 . 1 1 67 67 ALA N N 67 117.959 117.959 118.649 -0.690 18801 10214 1 20 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.409 -0.284 18801 10215 1 20 . 1 1 67 67 ALA C C 67 174.155 174.155 176.217 -2.062 18801 10216 1 20 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.197 -0.090 18801 10217 1 20 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.871 -0.649 18801 10218 1 20 . 1 1 67 67 ALA H H 67 6.805 6.805 7.004 -0.199 18801 10219 1 20 . 1 1 68 68 ALA N N 68 120.884 120.884 120.485 0.399 18801 10220 1 20 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.065 -0.392 18801 10221 1 20 . 1 1 68 68 ALA C C 68 175.535 175.535 176.641 -1.106 18801 10222 1 20 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.517 -0.193 18801 10223 1 20 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.581 -4.626 18801 10224 1 20 . 1 1 68 68 ALA H H 68 8.836 8.836 6.903 1.933 18801 10225 1 20 . 1 1 69 69 PHE N N 69 110.173 110.173 111.521 -1.348 18801 10226 1 20 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.911 -0.909 18801 10227 1 20 . 1 1 69 69 PHE C C 69 178.751 178.751 175.188 3.563 18801 10228 1 20 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.955 2.525 18801 10229 1 20 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.767 -4.939 18801 10230 1 20 . 1 1 69 69 PHE H H 69 8.087 8.087 6.729 1.358 18801 10231 1 20 . 1 1 70 70 LYS N N 70 116.963 116.963 120.249 -3.286 18801 10232 1 20 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.386 -0.008 18801 10233 1 20 . 1 1 70 70 LYS C C 70 177.534 177.534 176.019 1.515 18801 10234 1 20 . 1 1 70 70 LYS CA C 70 53.602 53.602 56.843 -3.241 18801 10235 1 20 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.005 -0.900 18801 10236 1 20 . 1 1 70 70 LYS H H 70 6.997 6.997 8.100 -1.103 18801 10237 1 20 . 1 1 71 71 LEU N N 71 118.952 118.952 120.547 -1.595 18801 10238 1 20 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.545 -0.351 18801 10239 1 20 . 1 1 71 71 LEU C C 71 176.388 176.388 176.363 0.025 18801 10240 1 20 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.371 -1.401 18801 10241 1 20 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.615 -2.673 18801 10242 1 20 . 1 1 71 71 LEU H H 71 6.933 6.933 7.556 -0.623 18801 10243 1 20 . 1 1 72 72 GLN N N 72 121.738 121.738 118.017 3.721 18801 10244 1 20 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.425 -0.105 18801 10245 1 20 . 1 1 72 72 GLN C C 72 177.973 177.973 176.078 1.895 18801 10246 1 20 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.581 -3.359 18801 10247 1 20 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.261 -3.655 18801 10248 1 20 . 1 1 72 72 GLN H H 72 9.040 9.040 8.185 0.855 18801 10249 1 20 . 1 1 73 73 VAL N N 73 122.076 122.076 120.378 1.698 18801 10250 1 20 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.959 -1.128 18801 10251 1 20 . 1 1 73 73 VAL C C 73 177.702 177.702 176.193 1.509 18801 10252 1 20 . 1 1 73 73 VAL CA C 73 64.398 64.398 63.811 0.587 18801 10253 1 20 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.563 -3.105 18801 10254 1 20 . 1 1 73 73 VAL H H 73 8.759 8.759 8.359 0.400 18801 10255 1 20 . 1 1 74 74 GLY N N 74 117.298 117.298 115.106 2.192 18801 10256 1 20 . 1 1 74 74 GLY C C 74 181.597 181.597 173.404 8.193 18801 10257 1 20 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.383 -2.523 18801 10258 1 20 . 1 1 74 74 GLY H H 74 8.626 8.626 8.233 0.393 18801 10259 1 20 . 1 1 75 75 GLU N N 75 122.135 122.135 119.874 2.261 18801 10260 1 20 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.607 -0.471 18801 10261 1 20 . 1 1 75 75 GLU C C 75 180.891 180.891 175.153 5.738 18801 10262 1 20 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.595 -1.232 18801 10263 1 20 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.283 -2.874 18801 10264 1 20 . 1 1 75 75 GLU H H 75 7.877 7.877 7.560 0.317 18801 10265 1 20 . 1 1 76 76 VAL N N 76 121.950 121.950 122.903 -0.953 18801 10266 1 20 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.372 0.568 18801 10267 1 20 . 1 1 76 76 VAL C C 76 177.920 177.920 176.086 1.834 18801 10268 1 20 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.743 -4.812 18801 10269 1 20 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.913 -1.872 18801 10270 1 20 . 1 1 76 76 VAL H H 76 7.877 7.877 8.440 -0.563 18801 10271 1 20 . 1 1 77 77 SER N N 77 125.434 125.434 122.784 2.650 18801 10272 1 20 . 1 1 77 77 SER HA H 77 4.275 4.275 4.486 -0.211 18801 10273 1 20 . 1 1 77 77 SER C C 77 181.544 181.544 174.062 7.482 18801 10274 1 20 . 1 1 77 77 SER CA C 77 56.028 56.028 58.635 -2.607 18801 10275 1 20 . 1 1 77 77 SER CB C 77 62.729 62.729 64.340 -1.611 18801 10276 1 20 . 1 1 77 77 SER H H 77 9.611 9.611 8.997 0.614 18801 10277 1 20 . 1 1 78 78 GLU N N 78 114.680 114.680 117.898 -3.218 18801 10278 1 20 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.718 -0.107 18801 10279 1 20 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.318 -0.572 18801 10280 1 20 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.659 -4.155 18801 10281 1 20 . 1 1 78 78 GLU H H 78 7.589 7.589 8.594 -1.005 18801 10282 1 20 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.523 0.207 18801 10283 1 20 . 1 1 79 79 PRO C C 79 177.642 177.642 175.736 1.906 18801 10284 1 20 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.816 -2.338 18801 10285 1 20 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.806 -2.506 18801 10286 1 20 . 1 1 80 80 ILE N N 80 127.418 127.418 125.201 2.217 18801 10287 1 20 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.128 0.372 18801 10288 1 20 . 1 1 80 80 ILE C C 80 179.315 179.315 175.965 3.350 18801 10289 1 20 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.366 -4.658 18801 10290 1 20 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.020 0.098 18801 10291 1 20 . 1 1 80 80 ILE H H 80 9.614 9.614 8.106 1.508 18801 10292 1 20 . 1 1 81 81 LYS N N 81 129.156 129.156 130.023 -0.867 18801 10293 1 20 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.143 0.133 18801 10294 1 20 . 1 1 81 81 LYS C C 81 179.186 179.186 175.526 3.660 18801 10295 1 20 . 1 1 81 81 LYS CA C 81 52.880 52.880 57.047 -4.167 18801 10296 1 20 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.447 -1.641 18801 10297 1 20 . 1 1 81 81 LYS H H 81 8.637 8.637 8.815 -0.178 18801 10298 1 20 . 1 1 82 82 SER N N 82 125.346 125.346 121.137 4.209 18801 10299 1 20 . 1 1 82 82 SER HA H 82 4.836 4.836 4.778 0.058 18801 10300 1 20 . 1 1 82 82 SER C C 82 179.369 179.369 174.189 5.180 18801 10301 1 20 . 1 1 82 82 SER CA C 82 53.893 53.893 55.963 -2.070 18801 10302 1 20 . 1 1 82 82 SER CB C 82 64.579 64.579 64.909 -0.330 18801 10303 1 20 . 1 1 82 82 SER H H 82 9.532 9.532 8.140 1.392 18801 10304 1 20 . 1 1 83 83 GLU N N 83 118.760 118.760 119.289 -0.529 18801 10305 1 20 . 1 1 83 83 GLU HA H 83 4.048 4.048 4.000 0.048 18801 10306 1 20 . 1 1 83 83 GLU C C 83 177.803 177.803 176.691 1.112 18801 10307 1 20 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.636 -3.278 18801 10308 1 20 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.184 -2.839 18801 10309 1 20 . 1 1 83 83 GLU H H 83 9.535 9.535 8.650 0.885 18801 10310 1 20 . 1 1 84 84 PHE N N 84 118.360 118.360 116.970 1.390 18801 10311 1 20 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.561 -0.033 18801 10312 1 20 . 1 1 84 84 PHE C C 84 179.367 179.367 175.645 3.722 18801 10313 1 20 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.525 -2.407 18801 10314 1 20 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.608 -2.572 18801 10315 1 20 . 1 1 84 84 PHE H H 84 8.803 8.803 7.964 0.839 18801 10316 1 20 . 1 1 85 85 GLY N N 85 107.365 107.365 106.036 1.329 18801 10317 1 20 . 1 1 85 85 GLY C C 85 184.805 184.805 173.089 11.716 18801 10318 1 20 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.264 -2.586 18801 10319 1 20 . 1 1 85 85 GLY H H 85 7.323 7.323 7.214 0.109 18801 10320 1 20 . 1 1 86 86 TYR N N 86 119.303 119.303 122.814 -3.511 18801 10321 1 20 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.675 0.320 18801 10322 1 20 . 1 1 86 86 TYR C C 86 180.178 180.178 175.861 4.317 18801 10323 1 20 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.652 -4.276 18801 10324 1 20 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.333 0.110 18801 10325 1 20 . 1 1 86 86 TYR H H 86 8.990 8.990 8.030 0.960 18801 10326 1 20 . 1 1 87 87 HIS N N 87 120.588 120.588 123.943 -3.355 18801 10327 1 20 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.126 0.405 18801 10328 1 20 . 1 1 87 87 HIS CA C 87 51.473 51.473 56.006 -4.533 18801 10329 1 20 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.412 -3.233 18801 10330 1 20 . 1 1 87 87 HIS H H 87 9.791 9.791 8.670 1.121 18801 10331 1 20 . 1 1 88 88 ILE N N 88 122.986 122.986 127.728 -4.742 18801 10332 1 20 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.474 -0.429 18801 10333 1 20 . 1 1 88 88 ILE C C 88 179.375 179.375 175.467 3.908 18801 10334 1 20 . 1 1 88 88 ILE CA C 88 59.223 59.223 58.878 0.345 18801 10335 1 20 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.668 0.685 18801 10336 1 20 . 1 1 88 88 ILE H H 88 9.161 9.161 8.281 0.880 18801 10337 1 20 . 1 1 89 89 ILE N N 89 128.220 128.220 128.929 -0.709 18801 10338 1 20 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.367 0.414 18801 10339 1 20 . 1 1 89 89 ILE C C 89 181.174 181.174 174.999 6.175 18801 10340 1 20 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.060 -3.332 18801 10341 1 20 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.712 -0.116 18801 10342 1 20 . 1 1 89 89 ILE H H 89 8.568 8.568 8.363 0.205 18801 10343 1 20 . 1 1 90 90 LYS N N 90 125.284 125.284 127.239 -1.955 18801 10344 1 20 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.090 0.074 18801 10345 1 20 . 1 1 90 90 LYS C C 90 179.565 179.565 175.184 4.381 18801 10346 1 20 . 1 1 90 90 LYS CA C 90 51.371 51.371 53.931 -2.560 18801 10347 1 20 . 1 1 90 90 LYS CB C 90 32.655 32.655 36.066 -3.411 18801 10348 1 20 . 1 1 90 90 LYS H H 90 8.580 8.580 7.968 0.612 18801 10349 1 20 . 1 1 91 91 ARG N N 91 126.331 126.331 126.077 0.254 18801 10350 1 20 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.447 0.570 18801 10351 1 20 . 1 1 91 91 ARG C C 91 179.376 179.376 175.257 4.119 18801 10352 1 20 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.238 -4.325 18801 10353 1 20 . 1 1 91 91 ARG CB C 91 27.562 27.562 30.989 -3.427 18801 10354 1 20 . 1 1 91 91 ARG H H 91 7.641 7.641 8.093 -0.452 18801 10355 1 20 . 1 1 92 92 PHE N N 92 127.260 127.260 124.664 2.596 18801 10356 1 20 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.635 -0.129 18801 10357 1 20 . 1 1 92 92 PHE C C 92 179.492 179.492 176.497 2.995 18801 10358 1 20 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.328 -2.091 18801 10359 1 20 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.772 -1.166 18801 10360 1 20 . 1 1 92 92 PHE H H 92 9.044 9.044 8.152 0.892 18801 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 88 2.639 0.173 2.648 18801 2 1 1 "Average Difference" HA 99 0.402 0.020 0.404 18801 3 1 1 "Average Difference" C 85 4.288 -2.195 3.705 18801 4 1 1 "Average Difference" CA 91 2.833 2.460 1.414 18801 5 1 1 "Average Difference" CB 83 2.930 2.569 1.417 18801 6 1 1 "Average Difference" HN 88 0.709 -0.127 0.702 18801 7 1 2 "Average Difference" N 88 2.808 -0.058 2.823 18801 8 1 2 "Average Difference" HA 99 0.417 0.034 0.417 18801 9 1 2 "Average Difference" C 85 4.296 -2.291 3.656 18801 10 1 2 "Average Difference" CA 91 2.841 2.411 1.511 18801 11 1 2 "Average Difference" CB 83 2.952 2.597 1.412 18801 12 1 2 "Average Difference" HN 88 0.704 -0.164 0.689 18801 13 1 3 "Average Difference" N 88 2.763 0.004 2.779 18801 14 1 3 "Average Difference" HA 99 0.408 0.027 0.409 18801 15 1 3 "Average Difference" C 85 4.253 -2.251 3.630 18801 16 1 3 "Average Difference" CA 91 2.822 2.406 1.484 18801 17 1 3 "Average Difference" CB 83 2.912 2.540 1.434 18801 18 1 3 "Average Difference" HN 88 0.713 -0.170 0.696 18801 19 1 4 "Average Difference" N 88 2.587 0.069 2.601 18801 20 1 4 "Average Difference" HA 99 0.412 0.018 0.414 18801 21 1 4 "Average Difference" C 85 4.264 -2.201 3.673 18801 22 1 4 "Average Difference" CA 91 2.848 2.447 1.467 18801 23 1 4 "Average Difference" CB 83 2.865 2.510 1.390 18801 24 1 4 "Average Difference" HN 88 0.711 -0.140 0.701 18801 25 1 5 "Average Difference" N 88 2.727 -0.137 2.739 18801 26 1 5 "Average Difference" HA 99 0.420 0.030 0.421 18801 27 1 5 "Average Difference" C 85 4.307 -2.327 3.646 18801 28 1 5 "Average Difference" CA 91 2.833 2.411 1.494 18801 29 1 5 "Average Difference" CB 83 2.940 2.574 1.429 18801 30 1 5 "Average Difference" HN 88 0.677 -0.156 0.663 18801 31 1 6 "Average Difference" N 88 2.820 -0.085 2.835 18801 32 1 6 "Average Difference" HA 99 0.419 0.032 0.420 18801 33 1 6 "Average Difference" C 85 4.312 -2.307 3.665 18801 34 1 6 "Average Difference" CA 91 2.821 2.384 1.516 18801 35 1 6 "Average Difference" CB 83 2.984 2.623 1.431 18801 36 1 6 "Average Difference" HN 88 0.710 -0.156 0.697 18801 37 1 7 "Average Difference" N 88 2.640 -0.010 2.655 18801 38 1 7 "Average Difference" HA 99 0.422 0.040 0.422 18801 39 1 7 "Average Difference" C 85 4.308 -2.297 3.667 18801 40 1 7 "Average Difference" CA 91 2.784 2.373 1.465 18801 41 1 7 "Average Difference" CB 83 2.990 2.634 1.424 18801 42 1 7 "Average Difference" HN 88 0.704 -0.141 0.694 18801 43 1 8 "Average Difference" N 88 2.712 -0.030 2.727 18801 44 1 8 "Average Difference" HA 99 0.425 0.038 0.426 18801 45 1 8 "Average Difference" C 85 4.281 -2.279 3.645 18801 46 1 8 "Average Difference" CA 91 2.820 2.389 1.506 18801 47 1 8 "Average Difference" CB 83 2.983 2.620 1.434 18801 48 1 8 "Average Difference" HN 88 0.714 -0.180 0.695 18801 49 1 9 "Average Difference" N 88 2.757 -0.091 2.772 18801 50 1 9 "Average Difference" HA 99 0.419 0.038 0.419 18801 51 1 9 "Average Difference" C 85 4.310 -2.240 3.705 18801 52 1 9 "Average Difference" CA 91 2.801 2.369 1.503 18801 53 1 9 "Average Difference" CB 83 2.938 2.568 1.435 18801 54 1 9 "Average Difference" HN 88 0.695 -0.172 0.677 18801 55 1 10 "Average Difference" N 88 2.700 0.045 2.715 18801 56 1 10 "Average Difference" HA 99 0.411 0.033 0.411 18801 57 1 10 "Average Difference" C 85 4.262 -2.276 3.625 18801 58 1 10 "Average Difference" CA 91 2.833 2.405 1.506 18801 59 1 10 "Average Difference" CB 83 2.950 2.594 1.413 18801 60 1 10 "Average Difference" HN 88 0.707 -0.134 0.698 18801 61 1 11 "Average Difference" N 88 2.775 0.046 2.790 18801 62 1 11 "Average Difference" HA 99 0.417 0.027 0.418 18801 63 1 11 "Average Difference" C 85 4.240 -2.278 3.597 18801 64 1 11 "Average Difference" CA 91 2.882 2.449 1.528 18801 65 1 11 "Average Difference" CB 83 2.909 2.565 1.381 18801 66 1 11 "Average Difference" HN 88 0.707 -0.161 0.693 18801 67 1 12 "Average Difference" N 88 2.757 0.005 2.772 18801 68 1 12 "Average Difference" HA 99 0.414 0.027 0.415 18801 69 1 12 "Average Difference" C 85 4.277 -2.310 3.621 18801 70 1 12 "Average Difference" CA 91 2.868 2.451 1.498 18801 71 1 12 "Average Difference" CB 83 3.013 2.641 1.458 18801 72 1 12 "Average Difference" HN 88 0.679 -0.176 0.660 18801 73 1 13 "Average Difference" N 88 2.671 0.075 2.685 18801 74 1 13 "Average Difference" HA 99 0.406 0.031 0.406 18801 75 1 13 "Average Difference" C 85 4.311 -2.259 3.694 18801 76 1 13 "Average Difference" CA 91 2.829 2.403 1.501 18801 77 1 13 "Average Difference" CB 83 2.984 2.627 1.423 18801 78 1 13 "Average Difference" HN 88 0.705 -0.148 0.694 18801 79 1 14 "Average Difference" N 88 2.669 -0.057 2.683 18801 80 1 14 "Average Difference" HA 99 0.414 0.011 0.416 18801 81 1 14 "Average Difference" C 85 4.307 -2.216 3.715 18801 82 1 14 "Average Difference" CA 91 2.869 2.434 1.527 18801 83 1 14 "Average Difference" CB 83 2.929 2.592 1.372 18801 84 1 14 "Average Difference" HN 88 0.701 -0.153 0.688 18801 85 1 15 "Average Difference" N 88 2.749 -0.056 2.765 18801 86 1 15 "Average Difference" HA 99 0.427 0.034 0.428 18801 87 1 15 "Average Difference" C 85 4.270 -2.299 3.620 18801 88 1 15 "Average Difference" CA 91 2.841 2.395 1.536 18801 89 1 15 "Average Difference" CB 83 2.996 2.616 1.469 18801 90 1 15 "Average Difference" HN 88 0.703 -0.151 0.690 18801 91 1 16 "Average Difference" N 88 2.790 -0.022 2.806 18801 92 1 16 "Average Difference" HA 99 0.410 0.031 0.411 18801 93 1 16 "Average Difference" C 85 4.313 -2.284 3.681 18801 94 1 16 "Average Difference" CA 91 2.819 2.392 1.500 18801 95 1 16 "Average Difference" CB 83 2.926 2.594 1.364 18801 96 1 16 "Average Difference" HN 88 0.691 -0.158 0.677 18801 97 1 17 "Average Difference" N 88 2.751 -0.012 2.767 18801 98 1 17 "Average Difference" HA 99 0.413 -0.000 0.415 18801 99 1 17 "Average Difference" C 85 4.283 -2.274 3.651 18801 100 1 17 "Average Difference" CA 91 2.882 2.430 1.559 18801 101 1 17 "Average Difference" CB 83 2.878 2.505 1.426 18801 102 1 17 "Average Difference" HN 88 0.724 -0.179 0.706 18801 103 1 18 "Average Difference" N 88 2.763 0.057 2.778 18801 104 1 18 "Average Difference" HA 99 0.420 0.016 0.422 18801 105 1 18 "Average Difference" C 85 4.317 -2.263 3.697 18801 106 1 18 "Average Difference" CA 91 2.886 2.488 1.471 18801 107 1 18 "Average Difference" CB 83 2.939 2.573 1.429 18801 108 1 18 "Average Difference" HN 88 0.699 -0.121 0.693 18801 109 1 19 "Average Difference" N 88 2.831 0.026 2.847 18801 110 1 19 "Average Difference" HA 99 0.411 0.024 0.412 18801 111 1 19 "Average Difference" C 85 4.229 -2.238 3.610 18801 112 1 19 "Average Difference" CA 91 2.901 2.443 1.573 18801 113 1 19 "Average Difference" CB 83 2.930 2.559 1.437 18801 114 1 19 "Average Difference" HN 88 0.738 -0.165 0.723 18801 115 1 20 "Average Difference" N 88 2.787 -0.035 2.803 18801 116 1 20 "Average Difference" HA 99 0.409 0.025 0.411 18801 117 1 20 "Average Difference" C 85 4.270 -2.267 3.641 18801 118 1 20 "Average Difference" CA 91 2.853 2.421 1.519 18801 119 1 20 "Average Difference" CB 83 2.882 2.546 1.358 18801 120 1 20 "Average Difference" HN 88 0.734 -0.137 0.725 18801 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 18801 _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 PRO HA H 2 4.469 4.469 4.598 -0.129 18801 2 1 . 1 1 2 2 PRO CA C 2 60.249 60.249 62.904 -2.655 18801 3 1 . 1 1 2 2 PRO CB C 2 29.536 29.536 32.357 -2.821 18801 4 1 . 1 1 3 3 SER N N 3 116.356 116.356 116.915 -0.559 18801 5 1 . 1 1 3 3 SER HA H 3 4.457 4.457 4.530 -0.072 18801 6 1 . 1 1 3 3 SER CA C 3 55.255 55.255 57.804 -2.549 18801 7 1 . 1 1 3 3 SER CB C 3 61.066 61.066 64.094 -3.029 18801 8 1 . 1 1 3 3 SER H H 3 8.502 8.502 8.282 0.220 18801 9 1 . 1 1 4 4 ASN N N 4 120.863 120.863 120.506 0.357 18801 10 1 . 1 1 4 4 ASN HA H 4 4.696 4.696 4.719 -0.023 18801 11 1 . 1 1 4 4 ASN C C 4 180.499 180.499 174.060 6.439 18801 12 1 . 1 1 4 4 ASN CA C 4 50.736 50.736 53.973 -3.237 18801 13 1 . 1 1 4 4 ASN CB C 4 35.801 35.801 39.521 -3.720 18801 14 1 . 1 1 4 4 ASN H H 4 8.463 8.463 8.507 -0.044 18801 15 1 . 1 1 5 5 LYS N N 5 119.444 119.444 117.141 2.303 18801 16 1 . 1 1 5 5 LYS HA H 5 5.096 5.096 5.131 -0.035 18801 17 1 . 1 1 5 5 LYS C C 5 179.306 179.306 174.786 4.520 18801 18 1 . 1 1 5 5 LYS CA C 5 51.949 51.949 54.521 -2.572 18801 19 1 . 1 1 5 5 LYS CB C 5 32.641 32.641 35.904 -3.263 18801 20 1 . 1 1 5 5 LYS H H 5 7.965 7.965 7.630 0.335 18801 21 1 . 1 1 6 6 ILE N N 6 115.941 115.941 113.671 2.270 18801 22 1 . 1 1 6 6 ILE HA H 6 4.561 4.561 3.742 0.819 18801 23 1 . 1 1 6 6 ILE C C 6 183.130 183.130 174.275 8.855 18801 24 1 . 1 1 6 6 ILE CA C 6 56.718 56.718 59.074 -2.356 18801 25 1 . 1 1 6 6 ILE CB C 6 39.704 39.704 42.101 -2.397 18801 26 1 . 1 1 6 6 ILE H H 6 8.133 8.133 7.945 0.188 18801 27 1 . 1 1 7 7 LYS N N 7 122.265 122.265 123.395 -1.130 18801 28 1 . 1 1 7 7 LYS HA H 7 4.755 4.755 4.660 0.095 18801 29 1 . 1 1 7 7 LYS C C 7 177.364 177.364 176.860 0.504 18801 30 1 . 1 1 7 7 LYS CA C 7 51.228 51.228 57.460 -6.232 18801 31 1 . 1 1 7 7 LYS CB C 7 31.186 31.186 33.244 -2.058 18801 32 1 . 1 1 7 7 LYS H H 7 8.155 8.155 8.276 -0.121 18801 33 1 . 1 1 8 8 CYS N N 8 118.452 118.452 119.867 -1.414 18801 34 1 . 1 1 8 8 CYS HA H 8 5.755 5.755 5.224 0.531 18801 35 1 . 1 1 8 8 CYS C C 8 181.803 181.803 172.594 9.209 18801 36 1 . 1 1 8 8 CYS CA C 8 53.600 53.600 57.647 -4.047 18801 37 1 . 1 1 8 8 CYS CB C 8 30.585 30.585 30.654 -0.069 18801 38 1 . 1 1 8 8 CYS H H 8 7.243 7.243 8.505 -1.262 18801 39 1 . 1 1 9 9 SER N N 9 115.559 115.559 114.952 0.607 18801 40 1 . 1 1 9 9 SER HA H 9 5.777 5.777 5.394 0.383 18801 41 1 . 1 1 9 9 SER C C 9 181.609 181.609 173.290 8.319 18801 42 1 . 1 1 9 9 SER CA C 9 53.256 53.256 56.654 -3.398 18801 43 1 . 1 1 9 9 SER CB C 9 64.431 64.431 65.783 -1.352 18801 44 1 . 1 1 9 9 SER H H 9 9.148 9.148 8.451 0.697 18801 45 1 . 1 1 10 10 HIS N N 10 119.227 119.227 113.459 5.768 18801 46 1 . 1 1 10 10 HIS HA H 10 6.491 6.491 5.327 1.164 18801 47 1 . 1 1 10 10 HIS CA C 10 51.244 51.244 55.974 -4.730 18801 48 1 . 1 1 10 10 HIS CB C 10 34.648 34.648 32.335 2.313 18801 49 1 . 1 1 10 10 HIS H H 10 9.626 9.626 8.860 0.766 18801 50 1 . 1 1 11 11 ILE N N 11 121.859 121.859 121.576 0.283 18801 51 1 . 1 1 11 11 ILE HA H 11 3.408 3.408 4.294 -0.886 18801 52 1 . 1 1 11 11 ILE C C 11 182.235 182.235 174.148 8.087 18801 53 1 . 1 1 11 11 ILE CA C 11 58.608 58.608 60.195 -1.587 18801 54 1 . 1 1 11 11 ILE CB C 11 38.557 38.557 41.348 -2.791 18801 55 1 . 1 1 11 11 ILE H H 11 8.978 8.978 8.912 0.066 18801 56 1 . 1 1 12 12 LEU N N 12 128.789 128.789 128.559 0.230 18801 57 1 . 1 1 12 12 LEU HA H 12 5.048 5.048 5.423 -0.375 18801 58 1 . 1 1 12 12 LEU C C 12 180.111 180.111 176.630 3.481 18801 59 1 . 1 1 12 12 LEU CA C 12 49.529 49.529 53.072 -3.543 18801 60 1 . 1 1 12 12 LEU CB C 12 42.274 42.274 43.155 -0.881 18801 61 1 . 1 1 12 12 LEU H H 12 7.659 7.659 8.079 -0.420 18801 62 1 . 1 1 13 13 VAL N N 13 117.652 117.652 118.185 -0.533 18801 63 1 . 1 1 13 13 VAL HA H 13 4.923 4.923 4.733 0.190 18801 64 1 . 1 1 13 13 VAL C C 13 178.956 178.956 175.370 3.586 18801 65 1 . 1 1 13 13 VAL CA C 13 56.356 56.356 59.912 -3.556 18801 66 1 . 1 1 13 13 VAL CB C 13 32.245 32.245 34.740 -2.495 18801 67 1 . 1 1 13 13 VAL H H 13 8.916 8.916 7.806 1.110 18801 68 1 . 1 1 14 14 SER N N 14 115.236 115.236 114.359 0.877 18801 69 1 . 1 1 14 14 SER HA H 14 4.591 4.591 4.649 -0.058 18801 70 1 . 1 1 14 14 SER C C 14 179.440 179.440 174.124 5.316 18801 71 1 . 1 1 14 14 SER CA C 14 58.302 58.302 58.549 -0.247 18801 72 1 . 1 1 14 14 SER CB C 14 61.585 61.585 63.784 -2.199 18801 73 1 . 1 1 14 14 SER H H 14 8.799 8.799 8.532 0.267 18801 74 1 . 1 1 15 15 LYS N N 15 117.100 117.100 119.770 -2.670 18801 75 1 . 1 1 15 15 LYS HA H 15 4.813 4.813 4.831 -0.018 18801 76 1 . 1 1 15 15 LYS C C 15 178.183 178.183 176.191 1.992 18801 77 1 . 1 1 15 15 LYS CA C 15 51.798 51.798 55.263 -3.465 18801 78 1 . 1 1 15 15 LYS CB C 15 32.956 32.956 34.739 -1.783 18801 79 1 . 1 1 15 15 LYS H H 15 7.749 7.749 7.695 0.054 18801 80 1 . 1 1 16 16 GLN N N 16 126.339 126.339 122.353 3.986 18801 81 1 . 1 1 16 16 GLN HA H 16 2.545 2.545 3.503 -0.958 18801 82 1 . 1 1 16 16 GLN C C 16 176.604 176.604 177.772 -1.168 18801 83 1 . 1 1 16 16 GLN CA C 16 56.439 56.439 58.821 -2.382 18801 84 1 . 1 1 16 16 GLN CB C 16 24.764 24.764 28.181 -3.417 18801 85 1 . 1 1 16 16 GLN H H 16 8.810 8.810 9.099 -0.289 18801 86 1 . 1 1 17 17 SER N N 17 112.691 112.691 113.513 -0.822 18801 87 1 . 1 1 17 17 SER HA H 17 3.841 3.841 4.182 -0.341 18801 88 1 . 1 1 17 17 SER C C 17 176.880 176.880 175.325 1.555 18801 89 1 . 1 1 17 17 SER CA C 17 58.169 58.169 60.635 -2.466 18801 90 1 . 1 1 17 17 SER CB C 17 58.144 58.144 62.698 -4.554 18801 91 1 . 1 1 17 17 SER H H 17 8.637 8.637 8.411 0.226 18801 92 1 . 1 1 18 18 GLU N N 18 122.640 122.640 119.858 2.782 18801 93 1 . 1 1 18 18 GLU HA H 18 4.044 4.044 4.267 -0.223 18801 94 1 . 1 1 18 18 GLU C C 18 176.035 176.035 177.491 -1.456 18801 95 1 . 1 1 18 18 GLU CA C 18 55.051 55.051 57.970 -2.919 18801 96 1 . 1 1 18 18 GLU CB C 18 26.903 26.903 30.208 -3.305 18801 97 1 . 1 1 18 18 GLU H H 18 6.560 6.560 7.625 -1.065 18801 98 1 . 1 1 19 19 ALA N N 19 122.963 122.963 121.815 1.148 18801 99 1 . 1 1 19 19 ALA HA H 19 3.805 3.805 4.135 -0.330 18801 100 1 . 1 1 19 19 ALA C C 19 175.728 175.728 179.585 -3.857 18801 101 1 . 1 1 19 19 ALA CA C 19 51.950 51.950 54.850 -2.900 18801 102 1 . 1 1 19 19 ALA CB C 19 14.490 14.490 18.960 -4.470 18801 103 1 . 1 1 19 19 ALA H H 19 7.435 7.435 7.607 -0.172 18801 104 1 . 1 1 20 20 LEU N N 20 117.683 117.683 118.968 -1.285 18801 105 1 . 1 1 20 20 LEU HA H 20 3.901 3.901 4.110 -0.209 18801 106 1 . 1 1 20 20 LEU C C 20 174.983 174.983 178.092 -3.109 18801 107 1 . 1 1 20 20 LEU CA C 20 55.009 55.009 56.330 -1.321 18801 108 1 . 1 1 20 20 LEU CB C 20 38.841 38.841 41.885 -3.044 18801 109 1 . 1 1 20 20 LEU H H 20 8.204 8.204 8.221 -0.017 18801 110 1 . 1 1 21 21 ALA N N 21 122.191 122.191 121.831 0.360 18801 111 1 . 1 1 21 21 ALA HA H 21 4.144 4.144 4.215 -0.071 18801 112 1 . 1 1 21 21 ALA C C 21 173.510 173.510 178.880 -5.370 18801 113 1 . 1 1 21 21 ALA CA C 21 52.086 52.086 54.412 -2.326 18801 114 1 . 1 1 21 21 ALA CB C 21 14.862 14.862 18.125 -3.263 18801 115 1 . 1 1 21 21 ALA H H 21 7.432 7.432 7.894 -0.462 18801 116 1 . 1 1 22 22 ILE N N 22 120.079 120.079 118.539 1.540 18801 117 1 . 1 1 22 22 ILE HA H 22 3.403 3.403 3.799 -0.396 18801 118 1 . 1 1 22 22 ILE C C 22 177.128 177.128 177.338 -0.210 18801 119 1 . 1 1 22 22 ILE CA C 22 62.278 62.278 63.538 -1.260 18801 120 1 . 1 1 22 22 ILE CB C 22 34.307 34.307 37.353 -3.046 18801 121 1 . 1 1 22 22 ILE H H 22 7.649 7.649 7.542 0.107 18801 122 1 . 1 1 23 23 MET N N 23 118.682 118.682 114.973 3.709 18801 123 1 . 1 1 23 23 MET HA H 23 4.260 4.260 4.499 -0.239 18801 124 1 . 1 1 23 23 MET C C 23 175.086 175.086 176.518 -1.432 18801 125 1 . 1 1 23 23 MET CA C 23 54.737 54.737 57.575 -2.838 18801 126 1 . 1 1 23 23 MET CB C 23 27.240 27.240 32.755 -5.515 18801 127 1 . 1 1 23 23 MET H H 23 8.008 8.008 7.601 0.407 18801 128 1 . 1 1 24 24 GLU N N 24 118.261 118.261 119.109 -0.848 18801 129 1 . 1 1 24 24 GLU HA H 24 4.005 4.005 4.294 -0.289 18801 130 1 . 1 1 24 24 GLU C C 24 175.157 175.157 178.280 -3.123 18801 131 1 . 1 1 24 24 GLU CA C 24 56.463 56.463 57.625 -1.162 18801 132 1 . 1 1 24 24 GLU CB C 24 26.251 26.251 30.088 -3.837 18801 133 1 . 1 1 24 24 GLU H H 24 7.527 7.527 7.666 -0.139 18801 134 1 . 1 1 25 25 LYS N N 25 121.138 121.138 120.030 1.108 18801 135 1 . 1 1 25 25 LYS HA H 25 4.009 4.009 4.132 -0.123 18801 136 1 . 1 1 25 25 LYS C C 25 174.603 174.603 178.880 -4.277 18801 137 1 . 1 1 25 25 LYS CA C 25 56.861 56.861 58.702 -1.841 18801 138 1 . 1 1 25 25 LYS CB C 25 29.809 29.809 32.560 -2.751 18801 139 1 . 1 1 25 25 LYS H H 25 7.645 7.645 8.199 -0.554 18801 140 1 . 1 1 26 26 LEU N N 26 121.410 121.410 118.734 2.676 18801 141 1 . 1 1 26 26 LEU HA H 26 4.181 4.181 4.192 -0.011 18801 142 1 . 1 1 26 26 LEU C C 26 172.921 172.921 178.729 -5.808 18801 143 1 . 1 1 26 26 LEU CA C 26 54.907 54.907 56.586 -1.679 18801 144 1 . 1 1 26 26 LEU CB C 26 38.505 38.505 41.282 -2.777 18801 145 1 . 1 1 26 26 LEU H H 26 8.617 8.617 7.713 0.904 18801 146 1 . 1 1 27 27 LYS N N 27 121.975 121.975 119.450 2.525 18801 147 1 . 1 1 27 27 LYS HA H 27 4.023 4.023 4.019 0.004 18801 148 1 . 1 1 27 27 LYS C C 27 176.493 176.493 177.528 -1.035 18801 149 1 . 1 1 27 27 LYS CA C 27 56.612 56.612 58.766 -2.153 18801 150 1 . 1 1 27 27 LYS CB C 27 29.258 29.258 32.057 -2.799 18801 151 1 . 1 1 27 27 LYS H H 27 8.239 8.239 7.802 0.437 18801 152 1 . 1 1 28 28 SER N N 28 113.123 113.123 112.223 0.900 18801 153 1 . 1 1 28 28 SER HA H 28 4.472 4.472 4.416 0.056 18801 154 1 . 1 1 28 28 SER C C 28 180.378 180.378 174.705 5.673 18801 155 1 . 1 1 28 28 SER CA C 28 56.232 56.232 59.025 -2.793 18801 156 1 . 1 1 28 28 SER CB C 28 60.798 60.798 64.350 -3.552 18801 157 1 . 1 1 28 28 SER H H 28 7.620 7.620 7.894 -0.274 18801 158 1 . 1 1 29 29 GLY N N 29 107.497 107.497 108.948 -1.451 18801 159 1 . 1 1 29 29 GLY C C 29 179.552 179.552 173.925 5.627 18801 160 1 . 1 1 29 29 GLY CA C 29 42.048 42.048 44.731 -2.683 18801 161 1 . 1 1 29 29 GLY H H 29 7.667 7.667 7.866 -0.199 18801 162 1 . 1 1 30 30 GLU N N 30 121.320 121.320 119.384 1.936 18801 163 1 . 1 1 30 30 GLU HA H 30 4.223 4.223 4.450 -0.227 18801 164 1 . 1 1 30 30 GLU C C 30 178.900 178.900 175.857 3.042 18801 165 1 . 1 1 30 30 GLU CA C 30 54.202 54.202 55.520 -1.318 18801 166 1 . 1 1 30 30 GLU CB C 30 27.081 27.081 30.906 -3.825 18801 167 1 . 1 1 30 30 GLU H H 30 7.690 7.690 7.963 -0.273 18801 168 1 . 1 1 31 31 LYS N N 31 122.239 122.239 119.714 2.525 18801 169 1 . 1 1 31 31 LYS HA H 31 4.231 4.231 4.634 -0.403 18801 170 1 . 1 1 31 31 LYS C C 31 177.152 177.152 176.546 0.606 18801 171 1 . 1 1 31 31 LYS CA C 31 53.334 53.334 54.702 -1.368 18801 172 1 . 1 1 31 31 LYS CB C 31 30.136 30.136 33.570 -3.434 18801 173 1 . 1 1 31 31 LYS H H 31 8.793 8.793 8.178 0.615 18801 174 1 . 1 1 32 32 PHE N N 32 126.167 126.167 125.814 0.353 18801 175 1 . 1 1 32 32 PHE HA H 32 3.635 3.635 4.226 -0.591 18801 176 1 . 1 1 32 32 PHE C C 32 177.437 177.437 177.085 0.352 18801 177 1 . 1 1 32 32 PHE CA C 32 60.082 60.082 61.859 -1.777 18801 178 1 . 1 1 32 32 PHE CB C 32 37.526 37.526 39.531 -2.005 18801 179 1 . 1 1 32 32 PHE H H 32 9.002 9.002 9.078 -0.076 18801 180 1 . 1 1 33 33 GLY N N 33 103.648 103.648 106.310 -2.662 18801 181 1 . 1 1 33 33 GLY C C 33 179.280 179.280 175.892 3.388 18801 182 1 . 1 1 33 33 GLY CA C 33 44.159 44.159 46.896 -2.737 18801 183 1 . 1 1 33 33 GLY H H 33 9.168 9.168 8.756 0.412 18801 184 1 . 1 1 34 34 LYS N N 34 120.972 120.972 120.715 0.257 18801 185 1 . 1 1 34 34 LYS HA H 34 3.970 3.970 4.105 -0.135 18801 186 1 . 1 1 34 34 LYS C C 34 176.326 176.326 177.504 -1.178 18801 187 1 . 1 1 34 34 LYS CA C 34 56.242 56.242 58.463 -2.221 18801 188 1 . 1 1 34 34 LYS CB C 34 30.335 30.335 32.170 -1.835 18801 189 1 . 1 1 34 34 LYS H H 34 6.642 6.642 7.841 -1.199 18801 190 1 . 1 1 35 35 LEU N N 35 118.154 118.154 116.141 2.013 18801 191 1 . 1 1 35 35 LEU HA H 35 3.903 3.903 4.488 -0.585 18801 192 1 . 1 1 35 35 LEU C C 35 175.872 175.872 177.781 -1.909 18801 193 1 . 1 1 35 35 LEU CA C 35 54.492 54.492 55.609 -1.117 18801 194 1 . 1 1 35 35 LEU CB C 35 38.770 38.770 42.539 -3.769 18801 195 1 . 1 1 35 35 LEU H H 35 7.425 7.425 7.505 -0.080 18801 196 1 . 1 1 36 36 ALA N N 36 120.438 120.438 122.718 -2.280 18801 197 1 . 1 1 36 36 ALA HA H 36 3.690 3.690 3.996 -0.306 18801 198 1 . 1 1 36 36 ALA C C 36 176.117 176.117 178.588 -2.471 18801 199 1 . 1 1 36 36 ALA CA C 36 52.574 52.574 54.760 -2.186 18801 200 1 . 1 1 36 36 ALA CB C 36 14.731 14.731 18.378 -3.647 18801 201 1 . 1 1 36 36 ALA H H 36 8.229 8.229 7.949 0.280 18801 202 1 . 1 1 37 37 LYS N N 37 116.463 116.463 115.003 1.460 18801 203 1 . 1 1 37 37 LYS HA H 37 4.047 4.047 4.474 -0.427 18801 204 1 . 1 1 37 37 LYS C C 37 175.232 175.232 176.557 -1.325 18801 205 1 . 1 1 37 37 LYS CA C 37 56.418 56.418 57.363 -0.945 18801 206 1 . 1 1 37 37 LYS CB C 37 29.957 29.957 32.552 -2.595 18801 207 1 . 1 1 37 37 LYS H H 37 7.568 7.568 7.912 -0.344 18801 208 1 . 1 1 38 38 GLU N N 38 115.319 115.319 117.667 -2.348 18801 209 1 . 1 1 38 38 GLU HA H 38 4.034 4.034 4.402 -0.368 18801 210 1 . 1 1 38 38 GLU C C 38 176.423 176.423 177.410 -0.987 18801 211 1 . 1 1 38 38 GLU CA C 38 55.769 55.769 56.775 -1.006 18801 212 1 . 1 1 38 38 GLU CB C 38 28.289 28.289 31.073 -2.784 18801 213 1 . 1 1 38 38 GLU H H 38 7.766 7.766 7.445 0.321 18801 214 1 . 1 1 39 39 LEU N N 39 114.689 114.689 120.138 -5.449 18801 215 1 . 1 1 39 39 LEU HA H 39 4.495 4.495 4.079 0.416 18801 216 1 . 1 1 39 39 LEU C C 39 177.452 177.452 177.835 -0.383 18801 217 1 . 1 1 39 39 LEU CA C 39 52.045 52.045 56.860 -4.815 18801 218 1 . 1 1 39 39 LEU CB C 39 41.820 41.820 42.375 -0.555 18801 219 1 . 1 1 39 39 LEU H H 39 8.214 8.214 8.038 0.176 18801 220 1 . 1 1 40 40 SER N N 40 110.112 110.112 113.201 -3.089 18801 221 1 . 1 1 40 40 SER HA H 40 4.617 4.617 4.399 0.218 18801 222 1 . 1 1 40 40 SER C C 40 177.179 177.179 175.661 1.518 18801 223 1 . 1 1 40 40 SER CA C 40 54.102 54.102 59.335 -5.233 18801 224 1 . 1 1 40 40 SER CB C 40 62.559 62.559 62.890 -0.331 18801 225 1 . 1 1 40 40 SER H H 40 7.848 7.848 7.556 0.292 18801 226 1 . 1 1 41 41 ILE N N 41 119.941 119.941 120.373 -0.432 18801 227 1 . 1 1 41 41 ILE HA H 41 4.370 4.370 4.070 0.300 18801 228 1 . 1 1 41 41 ILE C C 41 178.010 178.010 175.878 2.132 18801 229 1 . 1 1 41 41 ILE CA C 41 58.878 58.878 61.731 -2.853 18801 230 1 . 1 1 41 41 ILE CB C 41 34.345 34.345 38.319 -3.974 18801 231 1 . 1 1 41 41 ILE H H 41 9.126 9.126 8.054 1.072 18801 232 1 . 1 1 42 42 ASP N N 42 120.547 120.547 121.261 -0.714 18801 233 1 . 1 1 42 42 ASP HA H 42 4.833 4.833 4.481 0.352 18801 234 1 . 1 1 42 42 ASP C C 42 179.215 179.215 177.120 2.095 18801 235 1 . 1 1 42 42 ASP CA C 42 49.318 49.318 54.172 -4.854 18801 236 1 . 1 1 42 42 ASP CB C 42 37.216 37.216 41.072 -3.856 18801 237 1 . 1 1 42 42 ASP H H 42 7.476 7.476 7.879 -0.403 18801 238 1 . 1 1 43 43 SER N N 43 122.805 122.805 122.784 0.021 18801 239 1 . 1 1 43 43 SER HA H 43 4.115 4.115 4.179 -0.064 18801 240 1 . 1 1 43 43 SER C C 43 178.349 178.349 175.724 2.625 18801 241 1 . 1 1 43 43 SER CA C 43 58.425 58.425 60.623 -2.198 18801 242 1 . 1 1 43 43 SER CB C 43 59.904 59.904 63.120 -3.216 18801 243 1 . 1 1 43 43 SER H H 43 8.215 8.215 8.539 -0.324 18801 244 1 . 1 1 44 44 GLY N N 44 107.974 107.974 107.430 0.544 18801 245 1 . 1 1 44 44 GLY C C 44 179.677 179.677 173.551 6.126 18801 246 1 . 1 1 44 44 GLY CA C 44 43.811 43.811 44.917 -1.106 18801 247 1 . 1 1 44 44 GLY H H 44 8.384 8.384 8.185 0.199 18801 248 1 . 1 1 45 45 SER N N 45 110.539 110.539 116.073 -5.534 18801 249 1 . 1 1 45 45 SER HA H 45 4.493 4.493 4.522 -0.029 18801 250 1 . 1 1 45 45 SER C C 45 176.530 176.530 174.773 1.757 18801 251 1 . 1 1 45 45 SER CA C 45 56.718 56.718 59.039 -2.321 18801 252 1 . 1 1 45 45 SER CB C 45 62.291 62.291 63.841 -1.550 18801 253 1 . 1 1 45 45 SER H H 45 7.177 7.177 7.694 -0.517 18801 254 1 . 1 1 46 46 ALA N N 46 132.579 132.579 125.668 6.911 18801 255 1 . 1 1 46 46 ALA HA H 46 3.738 3.738 4.514 -0.776 18801 256 1 . 1 1 46 46 ALA C C 46 175.404 175.404 178.812 -3.408 18801 257 1 . 1 1 46 46 ALA CA C 46 54.187 54.187 54.561 -0.373 18801 258 1 . 1 1 46 46 ALA CB C 46 15.937 15.937 18.654 -2.717 18801 259 1 . 1 1 46 46 ALA H H 46 8.726 8.726 7.986 0.740 18801 260 1 . 1 1 47 47 LYS N N 47 111.990 111.990 116.620 -4.630 18801 261 1 . 1 1 47 47 LYS HA H 47 4.107 4.107 4.238 -0.131 18801 262 1 . 1 1 47 47 LYS C C 47 177.450 177.450 176.885 0.565 18801 263 1 . 1 1 47 47 LYS CA C 47 55.109 55.109 57.600 -2.491 18801 264 1 . 1 1 47 47 LYS CB C 47 28.849 28.849 32.741 -3.892 18801 265 1 . 1 1 47 47 LYS H H 47 7.668 7.668 8.244 -0.576 18801 266 1 . 1 1 48 48 LYS N N 48 118.900 118.900 116.826 2.074 18801 267 1 . 1 1 48 48 LYS HA H 48 4.603 4.603 4.549 0.054 18801 268 1 . 1 1 48 48 LYS C C 48 177.786 177.786 175.692 2.094 18801 269 1 . 1 1 48 48 LYS CA C 48 51.514 51.514 54.877 -3.363 18801 270 1 . 1 1 48 48 LYS CB C 48 28.458 28.458 31.769 -3.311 18801 271 1 . 1 1 48 48 LYS H H 48 7.382 7.382 7.648 -0.266 18801 272 1 . 1 1 49 49 ASN N N 49 115.995 115.995 117.721 -1.726 18801 273 1 . 1 1 49 49 ASN HA H 49 4.258 4.258 4.313 -0.055 18801 274 1 . 1 1 49 49 ASN C C 49 180.354 180.354 175.808 4.546 18801 275 1 . 1 1 49 49 ASN CA C 49 52.414 52.414 54.563 -2.149 18801 276 1 . 1 1 49 49 ASN CB C 49 33.322 33.322 37.472 -4.150 18801 277 1 . 1 1 49 49 ASN H H 49 8.021 8.021 8.279 -0.258 18801 278 1 . 1 1 50 50 GLY N N 50 104.621 104.621 102.694 1.927 18801 279 1 . 1 1 50 50 GLY C C 50 180.665 180.665 173.379 7.286 18801 280 1 . 1 1 50 50 GLY CA C 50 42.533 42.533 45.842 -3.309 18801 281 1 . 1 1 50 50 GLY H H 50 8.512 8.512 8.784 -0.272 18801 282 1 . 1 1 51 51 ASN N N 51 118.054 118.054 118.942 -0.888 18801 283 1 . 1 1 51 51 ASN HA H 51 4.799 4.799 4.647 0.152 18801 284 1 . 1 1 51 51 ASN C C 51 179.848 179.848 175.609 4.239 18801 285 1 . 1 1 51 51 ASN CA C 51 52.093 52.093 51.873 0.220 18801 286 1 . 1 1 51 51 ASN CB C 51 35.797 35.797 38.452 -2.655 18801 287 1 . 1 1 51 51 ASN H H 51 7.146 7.146 8.100 -0.954 18801 288 1 . 1 1 52 52 LEU N N 52 126.673 126.673 119.935 6.738 18801 289 1 . 1 1 52 52 LEU HA H 52 4.320 4.320 4.325 -0.005 18801 290 1 . 1 1 52 52 LEU C C 52 176.682 176.682 177.500 -0.818 18801 291 1 . 1 1 52 52 LEU CA C 52 51.441 51.441 55.069 -3.628 18801 292 1 . 1 1 52 52 LEU CB C 52 40.462 40.462 41.640 -1.178 18801 293 1 . 1 1 52 52 LEU H H 52 8.607 8.607 7.854 0.753 18801 294 1 . 1 1 53 53 GLY N N 53 108.525 108.525 106.979 1.546 18801 295 1 . 1 1 53 53 GLY C C 53 182.708 182.708 173.885 8.823 18801 296 1 . 1 1 53 53 GLY CA C 53 41.602 41.602 45.348 -3.746 18801 297 1 . 1 1 53 53 GLY H H 53 8.121 8.121 7.476 0.645 18801 298 1 . 1 1 54 54 TYR N N 54 114.992 114.992 122.721 -7.729 18801 299 1 . 1 1 54 54 TYR HA H 54 5.182 5.182 5.123 0.059 18801 300 1 . 1 1 54 54 TYR C C 54 176.195 176.195 176.605 -0.410 18801 301 1 . 1 1 54 54 TYR CA C 54 55.026 55.026 57.626 -2.600 18801 302 1 . 1 1 54 54 TYR CB C 54 37.395 37.395 39.453 -2.058 18801 303 1 . 1 1 54 54 TYR H H 54 8.187 8.187 8.388 -0.201 18801 304 1 . 1 1 55 55 PHE N N 55 118.041 118.041 122.348 -4.307 18801 305 1 . 1 1 55 55 PHE HA H 55 5.103 5.103 5.043 0.060 18801 306 1 . 1 1 55 55 PHE C C 55 181.875 181.875 173.324 8.551 18801 307 1 . 1 1 55 55 PHE CA C 55 52.925 52.925 56.032 -3.107 18801 308 1 . 1 1 55 55 PHE CB C 55 38.167 38.167 41.642 -3.475 18801 309 1 . 1 1 55 55 PHE H H 55 9.093 9.093 8.663 0.430 18801 310 1 . 1 1 56 56 THR N N 56 109.577 109.577 108.699 0.878 18801 311 1 . 1 1 56 56 THR HA H 56 5.267 5.267 4.014 1.253 18801 312 1 . 1 1 56 56 THR C C 56 178.403 178.403 173.465 4.938 18801 313 1 . 1 1 56 56 THR CA C 56 56.522 56.522 59.978 -3.456 18801 314 1 . 1 1 56 56 THR CB C 56 69.673 69.673 71.472 -1.799 18801 315 1 . 1 1 56 56 THR H H 56 7.949 7.949 7.858 0.091 18801 316 1 . 1 1 57 57 LYS N N 57 121.639 121.639 121.484 0.155 18801 317 1 . 1 1 57 57 LYS HA H 57 3.995 3.995 4.330 -0.335 18801 318 1 . 1 1 57 57 LYS C C 57 176.706 176.706 176.809 -0.103 18801 319 1 . 1 1 57 57 LYS CA C 57 55.695 55.695 57.266 -1.571 18801 320 1 . 1 1 57 57 LYS CB C 57 29.384 29.384 31.776 -2.392 18801 321 1 . 1 1 57 57 LYS H H 57 8.703 8.703 8.621 0.082 18801 322 1 . 1 1 58 58 GLY N N 58 114.416 114.416 112.682 1.734 18801 323 1 . 1 1 58 58 GLY C C 58 180.079 180.079 174.780 5.299 18801 324 1 . 1 1 58 58 GLY CA C 58 42.359 42.359 45.163 -2.804 18801 325 1 . 1 1 58 58 GLY H H 58 10.495 10.495 8.927 1.568 18801 326 1 . 1 1 59 59 MET N N 59 118.231 118.231 117.967 0.264 18801 327 1 . 1 1 59 59 MET HA H 59 4.366 4.366 4.669 -0.303 18801 328 1 . 1 1 59 59 MET C C 59 178.798 178.798 175.738 3.060 18801 329 1 . 1 1 59 59 MET CA C 59 55.129 55.129 55.616 -0.487 18801 330 1 . 1 1 59 59 MET CB C 59 32.196 32.196 33.503 -1.307 18801 331 1 . 1 1 59 59 MET H H 59 7.681 7.681 8.120 -0.439 18801 332 1 . 1 1 60 60 MET N N 60 118.667 118.667 117.900 0.767 18801 333 1 . 1 1 60 60 MET HA H 60 4.629 4.629 4.814 -0.185 18801 334 1 . 1 1 60 60 MET C C 60 178.834 178.834 174.988 3.846 18801 335 1 . 1 1 60 60 MET CA C 60 49.108 49.108 53.905 -4.797 18801 336 1 . 1 1 60 60 MET CB C 60 30.952 30.952 35.093 -4.141 18801 337 1 . 1 1 60 60 MET H H 60 8.905 8.905 7.796 1.109 18801 338 1 . 1 1 61 61 VAL N N 61 114.198 114.198 116.588 -2.390 18801 339 1 . 1 1 61 61 VAL HA H 61 4.156 4.156 4.521 -0.365 18801 340 1 . 1 1 61 61 VAL C C 61 176.731 176.731 176.482 0.249 18801 341 1 . 1 1 61 61 VAL CA C 61 59.365 59.365 59.941 -0.576 18801 342 1 . 1 1 61 61 VAL CB C 61 29.681 29.681 33.714 -4.033 18801 343 1 . 1 1 61 61 VAL H H 61 8.062 8.062 8.049 0.013 18801 344 1 . 1 1 62 62 LYS N N 62 124.862 124.862 122.734 2.128 18801 345 1 . 1 1 62 62 LYS HA H 62 4.149 4.149 4.209 -0.060 18801 346 1 . 1 1 62 62 LYS CA C 62 58.246 58.246 59.945 -1.699 18801 347 1 . 1 1 62 62 LYS CB C 62 27.150 27.150 30.830 -3.679 18801 348 1 . 1 1 62 62 LYS H H 62 8.736 8.736 8.881 -0.145 18801 349 1 . 1 1 63 63 PRO HA H 63 4.398 4.398 4.388 0.010 18801 350 1 . 1 1 63 63 PRO C C 63 174.841 174.841 175.450 -0.609 18801 351 1 . 1 1 63 63 PRO CA C 63 62.928 62.928 63.441 -0.513 18801 352 1 . 1 1 63 63 PRO CB C 63 28.227 28.227 29.715 -1.488 18801 353 1 . 1 1 64 64 PHE N N 64 115.340 115.340 118.693 -3.353 18801 354 1 . 1 1 64 64 PHE HA H 64 3.634 3.634 4.425 -0.791 18801 355 1 . 1 1 64 64 PHE C C 64 178.782 178.782 174.678 4.104 18801 356 1 . 1 1 64 64 PHE CA C 64 57.693 57.693 59.327 -1.634 18801 357 1 . 1 1 64 64 PHE CB C 64 37.274 37.274 40.218 -2.944 18801 358 1 . 1 1 64 64 PHE H H 64 6.870 6.870 8.045 -1.175 18801 359 1 . 1 1 65 65 GLU N N 65 120.356 120.356 120.950 -0.594 18801 360 1 . 1 1 65 65 GLU HA H 65 3.952 3.952 4.041 -0.089 18801 361 1 . 1 1 65 65 GLU C C 65 177.209 177.209 178.030 -0.821 18801 362 1 . 1 1 65 65 GLU CA C 65 57.784 57.784 59.771 -1.987 18801 363 1 . 1 1 65 65 GLU CB C 65 28.089 28.089 30.022 -1.933 18801 364 1 . 1 1 65 65 GLU H H 65 8.429 8.429 8.485 -0.056 18801 365 1 . 1 1 66 66 ASP N N 66 117.560 117.560 119.872 -2.312 18801 366 1 . 1 1 66 66 ASP HA H 66 4.303 4.303 4.246 0.057 18801 367 1 . 1 1 66 66 ASP C C 66 176.337 176.337 176.458 -0.121 18801 368 1 . 1 1 66 66 ASP CA C 66 54.027 54.027 56.675 -2.647 18801 369 1 . 1 1 66 66 ASP CB C 66 37.522 37.522 40.739 -3.218 18801 370 1 . 1 1 66 66 ASP H H 66 8.925 8.925 7.700 1.225 18801 371 1 . 1 1 67 67 ALA N N 67 117.959 117.959 118.804 -0.845 18801 372 1 . 1 1 67 67 ALA HA H 67 4.125 4.125 4.321 -0.196 18801 373 1 . 1 1 67 67 ALA C C 67 174.155 174.155 176.281 -2.127 18801 374 1 . 1 1 67 67 ALA CA C 67 51.107 51.107 51.236 -0.129 18801 375 1 . 1 1 67 67 ALA CB C 67 17.222 17.222 17.994 -0.772 18801 376 1 . 1 1 67 67 ALA H H 67 6.805 6.805 7.406 -0.601 18801 377 1 . 1 1 68 68 ALA N N 68 120.884 120.884 120.749 0.135 18801 378 1 . 1 1 68 68 ALA HA H 68 3.673 3.673 4.039 -0.366 18801 379 1 . 1 1 68 68 ALA C C 68 175.535 175.535 176.731 -1.196 18801 380 1 . 1 1 68 68 ALA CA C 68 52.324 52.324 52.552 -0.228 18801 381 1 . 1 1 68 68 ALA CB C 68 15.955 15.955 20.490 -4.535 18801 382 1 . 1 1 68 68 ALA H H 68 8.836 8.836 6.925 1.911 18801 383 1 . 1 1 69 69 PHE N N 69 110.173 110.173 112.020 -1.847 18801 384 1 . 1 1 69 69 PHE HA H 69 4.002 4.002 4.873 -0.871 18801 385 1 . 1 1 69 69 PHE C C 69 178.751 178.751 175.575 3.176 18801 386 1 . 1 1 69 69 PHE CA C 69 58.480 58.480 55.971 2.509 18801 387 1 . 1 1 69 69 PHE CB C 69 34.828 34.828 39.550 -4.722 18801 388 1 . 1 1 69 69 PHE H H 69 8.087 8.087 6.764 1.323 18801 389 1 . 1 1 70 70 LYS N N 70 116.963 116.963 120.545 -3.582 18801 390 1 . 1 1 70 70 LYS HA H 70 4.378 4.378 4.378 0.000 18801 391 1 . 1 1 70 70 LYS C C 70 177.534 177.534 176.180 1.354 18801 392 1 . 1 1 70 70 LYS CA C 70 53.602 53.602 57.108 -3.506 18801 393 1 . 1 1 70 70 LYS CB C 70 31.105 31.105 32.046 -0.941 18801 394 1 . 1 1 70 70 LYS H H 70 6.997 6.997 8.147 -1.150 18801 395 1 . 1 1 71 71 LEU N N 71 118.952 118.952 119.306 -0.354 18801 396 1 . 1 1 71 71 LEU HA H 71 4.194 4.194 4.468 -0.274 18801 397 1 . 1 1 71 71 LEU C C 71 176.388 176.388 176.382 0.006 18801 398 1 . 1 1 71 71 LEU CA C 71 51.970 51.970 53.685 -1.715 18801 399 1 . 1 1 71 71 LEU CB C 71 39.942 39.942 42.824 -2.882 18801 400 1 . 1 1 71 71 LEU H H 71 6.933 6.933 7.395 -0.462 18801 401 1 . 1 1 72 72 GLN N N 72 121.738 121.738 118.019 3.719 18801 402 1 . 1 1 72 72 GLN HA H 72 4.320 4.320 4.464 -0.144 18801 403 1 . 1 1 72 72 GLN C C 72 177.973 177.973 175.588 2.385 18801 404 1 . 1 1 72 72 GLN CA C 72 51.222 51.222 54.488 -3.266 18801 405 1 . 1 1 72 72 GLN CB C 72 26.606 26.606 30.957 -4.351 18801 406 1 . 1 1 72 72 GLN H H 72 9.040 9.040 8.326 0.714 18801 407 1 . 1 1 73 73 VAL N N 73 122.076 122.076 121.223 0.853 18801 408 1 . 1 1 73 73 VAL HA H 73 2.831 2.831 3.820 -0.989 18801 409 1 . 1 1 73 73 VAL C C 73 177.702 177.702 176.379 1.323 18801 410 1 . 1 1 73 73 VAL CA C 73 64.398 64.398 64.016 0.382 18801 411 1 . 1 1 73 73 VAL CB C 73 27.458 27.458 30.542 -3.084 18801 412 1 . 1 1 73 73 VAL H H 73 8.759 8.759 8.405 0.354 18801 413 1 . 1 1 74 74 GLY N N 74 117.298 117.298 115.376 1.922 18801 414 1 . 1 1 74 74 GLY C C 74 181.597 181.597 173.406 8.191 18801 415 1 . 1 1 74 74 GLY CA C 74 41.859 41.859 44.560 -2.701 18801 416 1 . 1 1 74 74 GLY H H 74 8.626 8.626 8.293 0.333 18801 417 1 . 1 1 75 75 GLU N N 75 122.135 122.135 120.063 2.072 18801 418 1 . 1 1 75 75 GLU HA H 75 4.136 4.136 4.639 -0.503 18801 419 1 . 1 1 75 75 GLU C C 75 180.891 180.891 175.357 5.534 18801 420 1 . 1 1 75 75 GLU CA C 75 53.363 53.363 54.685 -1.322 18801 421 1 . 1 1 75 75 GLU CB C 75 29.409 29.409 32.476 -3.067 18801 422 1 . 1 1 75 75 GLU H H 75 7.877 7.877 7.908 -0.031 18801 423 1 . 1 1 76 76 VAL N N 76 121.950 121.950 123.983 -2.033 18801 424 1 . 1 1 76 76 VAL HA H 76 4.940 4.940 4.416 0.524 18801 425 1 . 1 1 76 76 VAL C C 76 177.920 177.920 176.181 1.739 18801 426 1 . 1 1 76 76 VAL CA C 76 56.931 56.931 61.675 -4.744 18801 427 1 . 1 1 76 76 VAL CB C 76 31.041 31.041 32.853 -1.812 18801 428 1 . 1 1 76 76 VAL H H 76 7.877 7.877 8.467 -0.589 18801 429 1 . 1 1 77 77 SER N N 77 125.434 125.434 122.463 2.971 18801 430 1 . 1 1 77 77 SER HA H 77 4.275 4.275 4.529 -0.254 18801 431 1 . 1 1 77 77 SER C C 77 181.544 181.544 174.271 7.273 18801 432 1 . 1 1 77 77 SER CA C 77 56.028 56.028 57.887 -1.859 18801 433 1 . 1 1 77 77 SER CB C 77 62.729 62.729 64.973 -2.244 18801 434 1 . 1 1 77 77 SER H H 77 9.611 9.611 9.006 0.605 18801 435 1 . 1 1 78 78 GLU N N 78 114.680 114.680 118.119 -3.439 18801 436 1 . 1 1 78 78 GLU HA H 78 4.611 4.611 4.676 -0.065 18801 437 1 . 1 1 78 78 GLU CA C 78 52.746 52.746 53.116 -0.370 18801 438 1 . 1 1 78 78 GLU CB C 78 25.504 25.504 29.764 -4.260 18801 439 1 . 1 1 78 78 GLU H H 78 7.589 7.589 8.563 -0.974 18801 440 1 . 1 1 79 79 PRO HA H 79 4.730 4.730 4.523 0.207 18801 441 1 . 1 1 79 79 PRO C C 79 177.642 177.642 175.744 1.898 18801 442 1 . 1 1 79 79 PRO CA C 79 60.478 60.478 62.817 -2.339 18801 443 1 . 1 1 79 79 PRO CB C 79 28.300 28.300 30.754 -2.454 18801 444 1 . 1 1 80 80 ILE N N 80 127.418 127.418 125.089 2.329 18801 445 1 . 1 1 80 80 ILE HA H 80 4.500 4.500 4.108 0.392 18801 446 1 . 1 1 80 80 ILE C C 80 179.315 179.315 175.959 3.356 18801 447 1 . 1 1 80 80 ILE CA C 80 54.708 54.708 59.597 -4.889 18801 448 1 . 1 1 80 80 ILE CB C 80 37.118 37.118 37.114 0.004 18801 449 1 . 1 1 80 80 ILE H H 80 9.614 9.614 8.089 1.525 18801 450 1 . 1 1 81 81 LYS N N 81 129.156 129.156 130.392 -1.236 18801 451 1 . 1 1 81 81 LYS HA H 81 4.276 4.276 4.169 0.107 18801 452 1 . 1 1 81 81 LYS C C 81 179.186 179.186 175.609 3.577 18801 453 1 . 1 1 81 81 LYS CA C 81 52.880 52.880 56.918 -4.038 18801 454 1 . 1 1 81 81 LYS CB C 81 30.805 30.805 32.483 -1.678 18801 455 1 . 1 1 81 81 LYS H H 81 8.637 8.637 8.789 -0.152 18801 456 1 . 1 1 82 82 SER N N 82 125.346 125.346 122.218 3.128 18801 457 1 . 1 1 82 82 SER HA H 82 4.836 4.836 4.770 0.066 18801 458 1 . 1 1 82 82 SER C C 82 179.369 179.369 174.003 5.366 18801 459 1 . 1 1 82 82 SER CA C 82 53.893 53.893 56.317 -2.424 18801 460 1 . 1 1 82 82 SER CB C 82 64.579 64.579 65.634 -1.055 18801 461 1 . 1 1 82 82 SER H H 82 9.532 9.532 8.189 1.343 18801 462 1 . 1 1 83 83 GLU N N 83 118.760 118.760 119.792 -1.032 18801 463 1 . 1 1 83 83 GLU HA H 83 4.048 4.048 3.992 0.056 18801 464 1 . 1 1 83 83 GLU C C 83 177.803 177.803 176.685 1.118 18801 465 1 . 1 1 83 83 GLU CA C 83 55.358 55.358 58.678 -3.320 18801 466 1 . 1 1 83 83 GLU CB C 83 26.345 26.345 29.114 -2.769 18801 467 1 . 1 1 83 83 GLU H H 83 9.535 9.535 8.639 0.896 18801 468 1 . 1 1 84 84 PHE N N 84 118.360 118.360 117.780 0.580 18801 469 1 . 1 1 84 84 PHE HA H 84 4.528 4.528 4.547 -0.019 18801 470 1 . 1 1 84 84 PHE C C 84 179.367 179.367 175.776 3.591 18801 471 1 . 1 1 84 84 PHE CA C 84 55.118 55.118 57.731 -2.613 18801 472 1 . 1 1 84 84 PHE CB C 84 37.036 37.036 39.684 -2.648 18801 473 1 . 1 1 84 84 PHE H H 84 8.803 8.803 7.880 0.923 18801 474 1 . 1 1 85 85 GLY N N 85 107.365 107.365 105.722 1.643 18801 475 1 . 1 1 85 85 GLY C C 85 184.805 184.805 173.089 11.716 18801 476 1 . 1 1 85 85 GLY CA C 85 41.678 41.678 44.284 -2.606 18801 477 1 . 1 1 85 85 GLY H H 85 7.323 7.323 7.350 -0.027 18801 478 1 . 1 1 86 86 TYR N N 86 119.303 119.303 122.879 -3.576 18801 479 1 . 1 1 86 86 TYR HA H 86 4.995 4.995 4.723 0.272 18801 480 1 . 1 1 86 86 TYR C C 86 180.178 180.178 175.838 4.340 18801 481 1 . 1 1 86 86 TYR CA C 86 54.376 54.376 58.439 -4.063 18801 482 1 . 1 1 86 86 TYR CB C 86 38.443 38.443 38.331 0.112 18801 483 1 . 1 1 86 86 TYR H H 86 8.990 8.990 7.941 1.049 18801 484 1 . 1 1 87 87 HIS N N 87 120.588 120.588 124.053 -3.465 18801 485 1 . 1 1 87 87 HIS HA H 87 5.531 5.531 5.181 0.350 18801 486 1 . 1 1 87 87 HIS CA C 87 51.473 51.473 55.909 -4.436 18801 487 1 . 1 1 87 87 HIS CB C 87 28.179 28.179 31.488 -3.309 18801 488 1 . 1 1 87 87 HIS H H 87 9.791 9.791 8.687 1.104 18801 489 1 . 1 1 88 88 ILE N N 88 122.986 122.986 127.511 -4.525 18801 490 1 . 1 1 88 88 ILE HA H 88 4.045 4.045 4.476 -0.431 18801 491 1 . 1 1 88 88 ILE C C 88 179.375 179.375 175.594 3.781 18801 492 1 . 1 1 88 88 ILE CA C 88 59.223 59.223 59.033 0.190 18801 493 1 . 1 1 88 88 ILE CB C 88 37.353 37.353 36.579 0.774 18801 494 1 . 1 1 88 88 ILE H H 88 9.161 9.161 8.276 0.885 18801 495 1 . 1 1 89 89 ILE N N 89 128.220 128.220 128.665 -0.445 18801 496 1 . 1 1 89 89 ILE HA H 89 4.781 4.781 4.480 0.301 18801 497 1 . 1 1 89 89 ILE C C 89 181.174 181.174 175.052 6.122 18801 498 1 . 1 1 89 89 ILE CA C 89 57.728 57.728 61.101 -3.373 18801 499 1 . 1 1 89 89 ILE CB C 89 38.596 38.596 38.704 -0.108 18801 500 1 . 1 1 89 89 ILE H H 89 8.568 8.568 8.151 0.417 18801 501 1 . 1 1 90 90 LYS N N 90 125.284 125.284 126.929 -1.645 18801 502 1 . 1 1 90 90 LYS HA H 90 5.164 5.164 5.066 0.098 18801 503 1 . 1 1 90 90 LYS C C 90 179.565 179.565 175.508 4.057 18801 504 1 . 1 1 90 90 LYS CA C 90 51.371 51.371 54.256 -2.885 18801 505 1 . 1 1 90 90 LYS CB C 90 32.655 32.655 35.757 -3.102 18801 506 1 . 1 1 90 90 LYS H H 90 8.580 8.580 8.051 0.529 18801 507 1 . 1 1 91 91 ARG N N 91 126.331 126.331 126.895 -0.564 18801 508 1 . 1 1 91 91 ARG HA H 91 5.017 5.017 4.440 0.577 18801 509 1 . 1 1 91 91 ARG C C 91 179.376 179.376 175.350 4.026 18801 510 1 . 1 1 91 91 ARG CA C 91 52.913 52.913 57.513 -4.600 18801 511 1 . 1 1 91 91 ARG CB C 91 27.562 27.562 31.027 -3.465 18801 512 1 . 1 1 91 91 ARG H H 91 7.641 7.641 8.162 -0.521 18801 513 1 . 1 1 92 92 PHE N N 92 127.260 127.260 124.134 3.126 18801 514 1 . 1 1 92 92 PHE HA H 92 4.506 4.506 4.606 -0.100 18801 515 1 . 1 1 92 92 PHE C C 92 179.492 179.492 176.371 3.121 18801 516 1 . 1 1 92 92 PHE CA C 92 56.238 56.238 58.256 -2.018 18801 517 1 . 1 1 92 92 PHE CB C 92 39.606 39.606 40.954 -1.348 18801 518 1 . 1 1 92 92 PHE H H 92 9.044 9.044 8.089 0.955 18801 stop_ save_